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 3nsj_1_A DATA FIRST_RESID 21 DATA SEQUENCE PcYTATRSEc KQKHKFVPGV WMAGEGMDVT TLRRSGSFPV NTQRFLRPDR DATA SEQUENCE TcTLcKNSLM RDATQRLPVA ITHWRPHSSH cQRNVAAAKV HSTEGVAREA DATA SEQUENCE AANINNDWRV GLDVNXRPEA NMRASVAGSH SKVANFAAEK TYQDQYNFNS DATA SEQUENCE DTVEcRMYSF RLVQKPPLHL DFKKALRALP RNFNSSTEHA YHELISSYGT DATA SEQUENCE HFITAVDLGG RISVLTALRT cQLTLNGLTA DEVGDCLNVE AQVSIGAQAS DATA SEQUENCE VSSEYKACEE KKKQHKMATS FHQTYRERHV EVLGGPLDST HDLLFGNQAT DATA SEQUENCE PEQFSTWTAS LPSNPGLVDY SLEPLHTLLE EQNPKREALR QAISHYIMSR DATA SEQUENCE ARWQNcSRPc RSGQHKSSHD ScQcEcQDSK VTNQDccPRQ RGLAHLVVSN DATA SEQUENCE FRAEHLWGDY TTATDAYLKV FFGGQEFRTG VVWNNNNPRW TDKMDFENVL DATA SEQUENCE LSTGGPLRVQ VWDADYGWDD DLLGScDRSP HSGFHEVTcE LNHGRVKFSY DATA SEQUENCE HAKcLPHLTG GTcLEYAPQG LLGDPPGNRS G 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 21 P HA 0.000 nan 4.420 nan 0.000 0.216 21 P C 0.000 177.432 177.300 0.221 0.000 1.155 21 P CA 0.000 63.229 63.100 0.215 0.000 0.800 21 P CB 0.000 31.856 31.700 0.260 0.000 0.726 22 c N 1.743 120.442 118.600 0.165 0.000 2.370 22 c HA 0.799 5.369 4.570 0.000 0.000 0.354 22 c C -0.170 173.960 174.090 0.066 0.000 1.218 22 c CA -0.336 55.999 56.329 0.010 0.000 2.154 22 c CB -0.094 42.400 42.510 -0.026 0.000 2.391 22 c HN 0.440 nan 8.230 nan 0.000 0.540 23 Y N -1.115 119.172 120.300 -0.022 0.000 2.562 23 Y HA 0.603 5.153 4.550 0.000 0.000 0.345 23 Y C -0.154 175.727 175.900 -0.032 0.000 1.045 23 Y CA -1.000 57.087 58.100 -0.022 0.000 1.028 23 Y CB 0.636 39.084 38.460 -0.021 0.000 1.297 23 Y HN 0.482 nan 8.280 nan 0.000 0.463 24 T N 2.501 117.130 114.554 0.126 0.000 2.738 24 T HA 0.620 4.971 4.350 0.000 0.000 0.293 24 T C 0.051 174.835 174.700 0.141 0.000 0.913 24 T CA -0.076 62.054 62.100 0.050 0.000 1.103 24 T CB -0.892 67.988 68.868 0.020 0.000 0.880 24 T HN 0.975 nan 8.240 nan 0.000 0.526 25 A N 4.758 127.625 122.820 0.078 0.000 2.302 25 A HA 0.653 4.973 4.320 0.000 0.000 0.285 25 A C 0.928 178.547 177.584 0.058 0.000 1.105 25 A CA -0.596 51.528 52.037 0.146 0.000 0.816 25 A CB 0.324 19.392 19.000 0.114 0.000 1.067 25 A HN 0.971 nan 8.150 nan 0.000 0.489 26 T N -0.498 114.096 114.554 0.067 0.000 2.860 26 T HA 0.225 4.575 4.350 0.000 0.000 0.299 26 T C 1.114 175.823 174.700 0.015 0.000 1.045 26 T CA -0.169 61.948 62.100 0.029 0.000 1.071 26 T CB 0.448 69.333 68.868 0.029 0.000 0.985 26 T HN 0.643 nan 8.240 nan 0.000 0.537 27 R N 0.850 121.348 120.500 -0.003 0.000 2.133 27 R HA -0.121 4.219 4.340 0.000 0.000 0.247 27 R C 2.816 179.119 176.300 0.006 0.000 1.151 27 R CA 1.715 57.809 56.100 -0.011 0.000 0.971 27 R CB -0.615 29.677 30.300 -0.014 0.000 0.866 27 R HN 0.663 nan 8.270 nan 0.000 0.447 28 S N 0.374 116.083 115.700 0.014 0.000 2.357 28 S HA -0.107 4.363 4.470 0.000 0.000 0.221 28 S C 1.652 176.273 174.600 0.036 0.000 1.031 28 S CA 1.005 59.216 58.200 0.018 0.000 0.982 28 S CB 0.003 63.212 63.200 0.014 0.000 0.853 28 S HN 0.358 nan 8.310 nan 0.000 0.458 29 E N 0.031 120.268 120.200 0.062 0.000 2.118 29 E HA -0.158 4.192 4.350 0.000 0.000 0.195 29 E C 2.131 178.815 176.600 0.140 0.000 0.992 29 E CA 1.235 57.704 56.400 0.116 0.000 0.804 29 E CB -0.199 29.592 29.700 0.152 0.000 0.741 29 E HN 0.493 nan 8.360 nan 0.000 0.458 30 c N 0.548 119.210 118.600 0.105 0.000 2.446 30 c HA -0.045 4.525 4.570 0.000 0.000 0.279 30 c C 2.650 176.832 174.090 0.154 0.000 1.366 30 c CA 0.298 56.715 56.329 0.147 0.000 1.763 30 c CB -0.533 41.975 42.510 -0.004 0.000 1.929 30 c HN 0.248 nan 8.230 nan 0.000 0.509 31 K N 0.028 120.466 120.400 0.064 0.000 2.217 31 K HA -0.018 4.302 4.320 0.000 0.000 0.202 31 K C 0.814 177.395 176.600 -0.031 0.000 1.051 31 K CA 0.528 56.831 56.287 0.026 0.000 0.952 31 K CB -0.385 32.118 32.500 0.005 0.000 0.736 31 K HN 0.733 nan 8.250 nan 0.000 0.453 32 Q N 0.974 120.728 119.800 -0.076 0.000 2.330 32 Q HA 0.046 4.386 4.340 0.000 0.000 0.279 32 Q C -0.017 175.736 176.000 -0.412 0.000 1.024 32 Q CA 0.118 55.769 55.803 -0.254 0.000 0.900 32 Q CB 0.580 29.121 28.738 -0.328 0.000 1.221 32 Q HN 0.014 nan 8.270 nan 0.000 0.396 33 K N 3.714 123.879 120.400 -0.392 0.000 2.363 33 K HA 0.022 4.342 4.320 0.000 0.000 0.289 33 K C -1.258 175.061 176.600 -0.469 0.000 1.063 33 K CA 0.472 56.562 56.287 -0.329 0.000 0.967 33 K CB 0.215 32.599 32.500 -0.193 0.000 0.987 33 K HN 0.440 nan 8.250 nan 0.000 0.473 34 H N 2.995 121.936 119.070 -0.214 0.000 2.806 34 H HA 0.325 4.882 4.556 0.000 0.000 0.367 34 H C -0.542 174.579 175.328 -0.344 0.000 1.136 34 H CA -0.835 55.061 56.048 -0.253 0.000 1.178 34 H CB 1.431 31.021 29.762 -0.286 0.000 1.718 34 H HN 0.536 nan 8.280 nan 0.000 0.540 35 K N 1.277 121.605 120.400 -0.121 0.000 2.138 35 K HA 0.246 4.566 4.320 0.000 0.000 0.251 35 K C -0.115 176.316 176.600 -0.282 0.000 1.015 35 K CA -0.314 55.888 56.287 -0.142 0.000 0.917 35 K CB 0.822 33.295 32.500 -0.045 0.000 1.021 35 K HN 0.184 nan 8.250 nan 0.000 0.485 36 F N 0.745 120.576 119.950 -0.198 0.000 2.380 36 F HA 0.052 4.579 4.527 0.000 0.000 0.325 36 F C 0.571 176.215 175.800 -0.261 0.000 1.136 36 F CA -0.710 57.139 58.000 -0.253 0.000 1.171 36 F CB 0.640 39.521 39.000 -0.198 0.000 1.230 36 F HN 0.188 nan 8.300 nan 0.000 0.554 37 V N 0.923 120.710 119.914 -0.213 0.000 2.788 37 V HA 0.138 4.258 4.120 0.000 0.000 0.307 37 V C -2.486 173.490 176.094 -0.196 0.000 1.069 37 V CA -1.879 60.200 62.300 -0.368 0.000 1.173 37 V CB -0.428 30.882 31.823 -0.854 0.000 0.925 37 V HN 0.485 nan 8.190 nan 0.000 0.492 38 P HA 0.241 nan 4.420 nan 0.000 0.265 38 P C 1.000 178.274 177.300 -0.044 0.000 1.193 38 P CA 1.628 64.685 63.100 -0.072 0.000 0.765 38 P CB 0.584 32.252 31.700 -0.053 0.000 0.823 39 G N 2.157 111.003 108.800 0.075 0.000 2.233 39 G HA2 -0.318 3.642 3.960 0.000 0.000 0.270 39 G HA3 -0.318 3.642 3.960 0.000 0.000 0.270 39 G C 0.993 175.738 174.900 -0.259 0.000 1.011 39 G CA 0.226 45.219 45.100 -0.178 0.000 0.762 39 G HN 0.513 nan 8.290 nan 0.000 0.511 40 V N 1.477 121.322 119.914 -0.114 0.000 2.490 40 V HA -0.103 4.017 4.120 0.000 0.000 0.250 40 V C 2.580 178.694 176.094 0.033 0.000 1.061 40 V CA 2.487 64.690 62.300 -0.161 0.000 1.064 40 V CB -0.478 31.162 31.823 -0.305 0.000 0.670 40 V HN 0.838 nan 8.190 nan 0.000 0.461 41 W N -1.425 119.898 121.300 0.038 0.000 2.538 41 W HA -0.129 4.531 4.660 0.000 0.000 0.254 41 W C 1.723 178.380 176.519 0.229 0.000 1.249 41 W CA 0.660 58.020 57.345 0.025 0.000 1.253 41 W CB -1.110 28.310 29.460 -0.067 0.000 1.130 41 W HN 0.287 nan 8.180 nan 0.000 0.618 42 M N 1.088 120.517 119.600 -0.284 0.000 2.349 42 M HA 0.115 4.595 4.480 0.000 0.000 0.266 42 M C 1.385 177.706 176.300 0.035 0.000 1.076 42 M CA 0.959 56.092 55.300 -0.278 0.000 1.126 42 M CB -0.399 31.847 32.600 -0.589 0.000 1.392 42 M HN -0.085 nan 8.290 nan 0.000 0.440 43 A N 0.457 123.379 122.820 0.170 0.000 2.409 43 A HA 0.477 4.797 4.320 0.000 0.000 0.262 43 A C 1.212 178.961 177.584 0.273 0.000 1.113 43 A CA 0.543 52.702 52.037 0.205 0.000 0.790 43 A CB -0.242 18.956 19.000 0.328 0.000 1.046 43 A HN 0.731 nan 8.150 nan 0.000 0.496 44 G N 1.278 110.239 108.800 0.267 0.000 2.213 44 G HA2 -0.219 3.741 3.960 0.000 0.000 0.236 44 G HA3 -0.219 3.741 3.960 0.000 0.000 0.236 44 G C 0.264 175.327 174.900 0.272 0.000 0.991 44 G CA 0.375 45.680 45.100 0.342 0.000 0.629 44 G HN 1.013 nan 8.290 nan 0.000 0.517 45 E N 1.015 121.306 120.200 0.151 0.000 2.392 45 E HA 0.467 4.817 4.350 0.000 0.000 0.264 45 E C 1.224 177.734 176.600 -0.150 0.000 1.024 45 E CA 0.205 56.447 56.400 -0.263 0.000 0.903 45 E CB 0.251 29.724 29.700 -0.378 0.000 0.963 45 E HN 0.481 nan 8.360 nan 0.000 0.432 46 G N 3.490 112.154 108.800 -0.228 0.000 2.503 46 G HA2 0.368 4.328 3.960 0.000 0.000 0.257 46 G HA3 0.368 4.328 3.960 0.000 0.000 0.257 46 G C -0.658 174.168 174.900 -0.123 0.000 1.214 46 G CA -0.357 44.691 45.100 -0.088 0.000 0.839 46 G HN 0.528 nan 8.290 nan 0.000 0.559 47 M N 1.126 120.695 119.600 -0.053 0.000 2.421 47 M HA 0.239 4.719 4.480 0.000 0.000 0.287 47 M C -1.928 174.361 176.300 -0.020 0.000 1.183 47 M CA -0.828 54.416 55.300 -0.092 0.000 0.916 47 M CB 2.604 35.093 32.600 -0.185 0.000 1.701 47 M HN 0.492 nan 8.290 nan 0.000 0.470 48 D N 3.250 123.630 120.400 -0.033 0.000 2.347 48 D HA 0.145 4.785 4.640 0.000 0.000 0.235 48 D C 0.669 176.960 176.300 -0.015 0.000 1.149 48 D CA 0.030 54.048 54.000 0.029 0.000 0.850 48 D CB 1.761 42.594 40.800 0.056 0.000 1.061 48 D HN 0.507 nan 8.370 nan 0.000 0.487 49 V N 4.060 123.954 119.914 -0.034 0.000 2.490 49 V HA -0.240 3.880 4.120 0.000 0.000 0.250 49 V C 2.323 178.281 176.094 -0.226 0.000 1.061 49 V CA 2.864 65.004 62.300 -0.267 0.000 1.064 49 V CB -0.420 31.068 31.823 -0.558 0.000 0.670 49 V HN 0.818 nan 8.190 nan 0.000 0.461 50 T N -2.486 112.038 114.554 -0.051 0.000 2.867 50 T HA -0.162 4.188 4.350 0.000 0.000 0.268 50 T C 1.637 176.347 174.700 0.016 0.000 1.057 50 T CA 1.979 64.080 62.100 0.001 0.000 1.136 50 T CB -0.602 68.346 68.868 0.133 0.000 0.874 50 T HN 0.667 nan 8.240 nan 0.000 0.466 51 T N -0.854 113.715 114.554 0.024 0.000 2.990 51 T HA 0.383 4.733 4.350 0.000 0.000 0.250 51 T C 1.175 175.862 174.700 -0.022 0.000 1.041 51 T CA 0.094 62.208 62.100 0.023 0.000 1.010 51 T CB -0.524 68.370 68.868 0.044 0.000 1.003 51 T HN 0.427 nan 8.240 nan 0.000 0.499 52 L N 0.179 121.370 121.223 -0.054 0.000 4.040 52 L HA -0.180 4.160 4.340 0.000 0.000 0.410 52 L C -0.093 176.733 176.870 -0.073 0.000 1.187 52 L CA 0.345 55.150 54.840 -0.059 0.000 0.956 52 L CB -1.588 40.464 42.059 -0.012 0.000 2.022 52 L HN 0.392 nan 8.230 nan 0.000 0.897 53 R N 0.645 121.102 120.500 -0.072 0.000 2.445 53 R HA 0.551 4.891 4.340 0.000 0.000 0.308 53 R C 0.188 176.423 176.300 -0.107 0.000 0.961 53 R CA -0.977 55.080 56.100 -0.073 0.000 0.862 53 R CB 1.314 31.594 30.300 -0.033 0.000 1.144 53 R HN 0.126 nan 8.270 nan 0.000 0.447 54 R N 0.860 121.282 120.500 -0.130 0.000 2.570 54 R HA -0.034 4.306 4.340 0.000 0.000 0.277 54 R C 1.246 177.459 176.300 -0.145 0.000 1.039 54 R CA 0.231 56.235 56.100 -0.159 0.000 1.065 54 R CB 0.545 30.755 30.300 -0.151 0.000 0.964 54 R HN 0.788 nan 8.270 nan 0.000 0.428 55 S N 1.911 117.500 115.700 -0.185 0.000 2.447 55 S HA -0.067 4.403 4.470 0.000 0.000 0.233 55 S C 1.583 176.050 174.600 -0.221 0.000 1.006 55 S CA 0.716 58.802 58.200 -0.190 0.000 0.957 55 S CB -0.053 63.027 63.200 -0.200 0.000 0.773 55 S HN 0.980 nan 8.310 nan 0.000 0.507 56 G N 0.274 108.913 108.800 -0.269 0.000 2.268 56 G HA2 -0.250 3.710 3.960 0.000 0.000 0.240 56 G HA3 -0.250 3.710 3.960 0.000 0.000 0.240 56 G C 0.242 174.957 174.900 -0.308 0.000 1.010 56 G CA 0.234 45.201 45.100 -0.222 0.000 0.618 56 G HN 0.805 nan 8.290 nan 0.000 0.516 57 S N -0.024 115.414 115.700 -0.437 0.000 2.654 57 S HA 0.787 5.257 4.470 0.000 0.000 0.283 57 S C -0.800 173.480 174.600 -0.533 0.000 1.180 57 S CA -0.359 57.572 58.200 -0.447 0.000 1.021 57 S CB 1.283 64.007 63.200 -0.793 0.000 1.018 57 S HN 0.334 nan 8.310 nan 0.000 0.532 58 F N 2.239 122.094 119.950 -0.157 0.000 2.430 58 F HA 0.368 4.895 4.527 0.000 0.000 0.362 58 F C -1.678 174.082 175.800 -0.067 0.000 1.103 58 F CA -2.068 55.876 58.000 -0.092 0.000 1.045 58 F CB 1.593 40.523 39.000 -0.117 0.000 1.276 58 F HN 0.373 nan 8.300 nan 0.000 0.444 59 P HA -0.063 nan 4.420 nan 0.000 0.223 59 P C 0.304 177.342 177.300 -0.436 0.000 1.151 59 P CA 0.959 63.572 63.100 -0.810 0.000 0.787 59 P CB 0.778 31.552 31.700 -1.543 0.000 0.788 60 V N 1.018 120.833 119.914 -0.165 0.000 2.483 60 V HA 0.302 4.422 4.120 0.000 0.000 0.295 60 V C 0.096 176.310 176.094 0.198 0.000 1.035 60 V CA -0.676 61.613 62.300 -0.019 0.000 0.896 60 V CB 1.293 33.093 31.823 -0.039 0.000 0.986 60 V HN -0.043 nan 8.190 nan 0.000 0.447 61 N N 1.920 120.730 118.700 0.184 0.000 2.501 61 N HA 0.271 5.011 4.740 0.000 0.000 0.245 61 N C 0.707 176.268 175.510 0.086 0.000 0.974 61 N CA 0.004 53.167 53.050 0.187 0.000 0.941 61 N CB 1.481 39.992 38.487 0.040 0.000 1.122 61 N HN 0.752 nan 8.380 nan 0.000 0.507 62 T N 0.106 114.702 114.554 0.069 0.000 3.086 62 T HA 0.034 4.384 4.350 0.000 0.000 0.250 62 T C 1.233 175.929 174.700 -0.007 0.000 1.074 62 T CA 0.223 62.352 62.100 0.048 0.000 0.988 62 T CB -0.109 68.806 68.868 0.078 0.000 0.988 62 T HN 0.459 nan 8.240 nan 0.000 0.530 63 Q N 0.754 120.527 119.800 -0.044 0.000 2.197 63 Q HA -0.046 4.294 4.340 0.000 0.000 0.207 63 Q C 1.284 177.295 176.000 0.019 0.000 0.984 63 Q CA 0.739 56.494 55.803 -0.079 0.000 0.869 63 Q CB -0.157 28.532 28.738 -0.082 0.000 0.906 63 Q HN 0.494 nan 8.270 nan 0.000 0.426 64 R N 0.322 120.853 120.500 0.053 0.000 2.446 64 R HA -0.074 4.266 4.340 0.000 0.000 0.314 64 R C 0.345 176.760 176.300 0.193 0.000 1.003 64 R CA 0.007 56.165 56.100 0.096 0.000 1.018 64 R CB 0.244 30.572 30.300 0.045 0.000 0.945 64 R HN 0.149 nan 8.270 nan 0.000 0.419 65 F N 5.357 125.362 119.950 0.092 0.000 2.514 65 F HA 0.243 4.770 4.527 0.000 0.000 0.281 65 F C -0.254 175.567 175.800 0.035 0.000 1.060 65 F CA 0.146 58.218 58.000 0.120 0.000 1.397 65 F CB 0.295 39.431 39.000 0.227 0.000 1.129 65 F HN 0.307 nan 8.300 nan 0.000 0.620 66 L N 2.799 123.838 121.223 -0.306 0.000 2.305 66 L HA 0.345 4.685 4.340 0.000 0.000 0.281 66 L C 0.421 177.166 176.870 -0.209 0.000 1.085 66 L CA -0.378 54.221 54.840 -0.402 0.000 0.813 66 L CB 0.931 42.859 42.059 -0.219 0.000 1.157 66 L HN -0.028 nan 8.230 nan 0.000 0.436 67 R N 3.314 123.686 120.500 -0.213 0.000 2.738 67 R HA 0.082 4.423 4.340 0.000 0.000 0.268 67 R C -1.396 174.854 176.300 -0.084 0.000 1.062 67 R CA -1.313 54.714 56.100 -0.122 0.000 1.158 67 R CB 0.092 30.323 30.300 -0.114 0.000 1.046 67 R HN 0.372 nan 8.270 nan 0.000 0.493 68 P HA -0.197 nan 4.420 nan 0.000 0.217 68 P C 0.160 177.437 177.300 -0.039 0.000 1.148 68 P CA 1.418 64.495 63.100 -0.039 0.000 0.828 68 P CB 0.028 31.712 31.700 -0.027 0.000 0.783 69 D N -1.253 119.120 120.400 -0.044 0.000 2.413 69 D HA -0.007 4.634 4.640 0.000 0.000 0.237 69 D C 0.413 176.683 176.300 -0.050 0.000 1.171 69 D CA -0.236 53.740 54.000 -0.040 0.000 0.839 69 D CB -0.253 40.527 40.800 -0.033 0.000 0.950 69 D HN -0.031 nan 8.370 nan 0.000 0.499 70 R N -0.476 119.986 120.500 -0.063 0.000 4.010 70 R HA -0.168 4.172 4.340 0.000 0.000 0.409 70 R C 0.608 176.845 176.300 -0.105 0.000 1.120 70 R CA 1.542 57.598 56.100 -0.074 0.000 1.244 70 R CB -2.751 27.522 30.300 -0.045 0.000 1.799 70 R HN 0.609 nan 8.270 nan 0.000 0.559 71 T N -1.867 112.620 114.554 -0.111 0.000 2.770 71 T HA 0.583 4.933 4.350 0.000 0.000 0.281 71 T C 1.038 175.597 174.700 -0.235 0.000 0.981 71 T CA -0.129 61.895 62.100 -0.128 0.000 0.955 71 T CB 2.182 71.003 68.868 -0.079 0.000 1.060 71 T HN 0.521 nan 8.240 nan 0.000 0.531 72 c N -1.564 116.886 118.600 -0.249 0.000 3.276 72 c HA 0.815 5.385 4.570 0.000 0.000 0.370 72 c C -0.676 173.275 174.090 -0.232 0.000 1.624 72 c CA -0.865 55.231 56.329 -0.388 0.000 1.179 72 c CB 0.883 42.883 42.510 -0.850 0.000 1.909 72 c HN 1.008 nan 8.230 nan 0.000 0.434 73 T N 1.817 116.241 114.554 -0.218 0.000 2.792 73 T HA 0.693 5.043 4.350 0.000 0.000 0.280 73 T C -0.691 173.863 174.700 -0.243 0.000 0.990 73 T CA -0.201 61.778 62.100 -0.202 0.000 0.960 73 T CB 0.901 69.683 68.868 -0.142 0.000 0.939 73 T HN 0.629 nan 8.240 nan 0.000 0.439 74 L N 2.064 122.968 121.223 -0.532 0.000 2.354 74 L HA 0.704 5.044 4.340 0.000 0.000 0.269 74 L C -0.607 175.749 176.870 -0.856 0.000 1.005 74 L CA -0.920 53.523 54.840 -0.661 0.000 0.819 74 L CB 1.945 43.615 42.059 -0.648 0.000 1.311 74 L HN 0.675 nan 8.230 nan 0.000 0.423 75 c N 1.145 119.376 118.600 -0.615 0.000 2.561 75 c HA 0.431 5.001 4.570 0.000 0.000 0.319 75 c C 0.030 173.971 174.090 -0.249 0.000 1.198 75 c CA -1.093 54.964 56.329 -0.452 0.000 1.665 75 c CB 1.770 43.825 42.510 -0.757 0.000 2.258 75 c HN 0.664 nan 8.230 nan 0.000 0.493 76 K N 2.195 122.603 120.400 0.012 0.000 2.264 76 K HA 0.227 4.547 4.320 0.000 0.000 0.277 76 K C -0.366 176.338 176.600 0.173 0.000 1.067 76 K CA -0.028 56.313 56.287 0.090 0.000 0.900 76 K CB 0.268 32.860 32.500 0.153 0.000 1.124 76 K HN 0.649 nan 8.250 nan 0.000 0.469 77 N N 2.347 121.138 118.700 0.152 0.000 2.500 77 N HA -0.002 4.738 4.740 0.000 0.000 0.236 77 N C 0.434 176.074 175.510 0.217 0.000 1.022 77 N CA -0.121 53.120 53.050 0.317 0.000 0.935 77 N CB 1.083 39.760 38.487 0.317 0.000 1.147 77 N HN 0.617 nan 8.380 nan 0.000 0.512 78 S N 2.877 118.692 115.700 0.192 0.000 2.469 78 S HA -0.062 4.408 4.470 0.000 0.000 0.238 78 S C 1.600 176.245 174.600 0.075 0.000 0.998 78 S CA 0.524 58.785 58.200 0.101 0.000 0.957 78 S CB -0.137 63.101 63.200 0.063 0.000 0.764 78 S HN 0.591 nan 8.310 nan 0.000 0.514 79 L N -0.538 120.749 121.223 0.106 0.000 2.567 79 L HA 0.380 4.720 4.340 0.000 0.000 0.225 79 L C 1.216 178.140 176.870 0.090 0.000 1.119 79 L CA 0.451 55.324 54.840 0.056 0.000 0.871 79 L CB -0.210 41.838 42.059 -0.019 0.000 1.036 79 L HN 0.329 nan 8.230 nan 0.000 0.459 80 M N -0.260 119.414 119.600 0.123 0.000 3.200 80 M HA 0.265 4.745 4.480 0.000 0.000 0.335 80 M C -0.298 176.044 176.300 0.070 0.000 1.446 80 M CA -0.173 55.186 55.300 0.098 0.000 0.691 80 M CB 0.797 33.472 32.600 0.124 0.000 1.409 80 M HN -0.000 nan 8.290 nan 0.000 0.488 81 R N 0.379 120.912 120.500 0.056 0.000 3.405 81 R HA -0.197 4.144 4.340 0.000 0.000 0.258 81 R C -0.848 175.477 176.300 0.042 0.000 1.030 81 R CA 0.581 56.706 56.100 0.041 0.000 0.691 81 R CB -2.013 28.305 30.300 0.031 0.000 1.093 81 R HN 0.593 nan 8.270 nan 0.000 0.448 82 D N -2.942 117.492 120.400 0.057 0.000 2.945 82 D HA -0.187 4.453 4.640 0.000 0.000 0.225 82 D C 0.227 176.547 176.300 0.033 0.000 1.158 82 D CA 1.607 55.640 54.000 0.055 0.000 0.805 82 D CB -1.111 39.715 40.800 0.044 0.000 1.098 82 D HN 0.692 nan 8.370 nan 0.000 0.426 83 A N 0.155 122.991 122.820 0.027 0.000 2.546 83 A HA 0.351 4.671 4.320 0.000 0.000 0.243 83 A C 0.898 178.434 177.584 -0.079 0.000 1.063 83 A CA 0.535 52.565 52.037 -0.011 0.000 0.757 83 A CB 0.374 19.373 19.000 -0.001 0.000 0.991 83 A HN 0.110 nan 8.150 nan 0.000 0.503 84 T N 3.892 118.353 114.554 -0.155 0.000 2.779 84 T HA 0.372 4.722 4.350 0.000 0.000 0.296 84 T C 0.029 174.451 174.700 -0.462 0.000 0.938 84 T CA 0.403 62.294 62.100 -0.348 0.000 1.119 84 T CB 0.175 68.728 68.868 -0.525 0.000 0.891 84 T HN 0.705 nan 8.240 nan 0.000 0.526 85 Q N 1.834 121.371 119.800 -0.440 0.000 2.387 85 Q HA 0.451 4.792 4.340 0.000 0.000 0.273 85 Q C -0.271 175.412 176.000 -0.528 0.000 1.089 85 Q CA -0.985 54.550 55.803 -0.445 0.000 0.824 85 Q CB 2.371 30.869 28.738 -0.400 0.000 1.367 85 Q HN 0.503 nan 8.270 nan 0.000 0.443 86 R N 0.977 121.119 120.500 -0.597 0.000 2.390 86 R HA 0.395 4.735 4.340 0.000 0.000 0.291 86 R C -0.966 175.075 176.300 -0.432 0.000 1.070 86 R CA -0.529 55.158 56.100 -0.689 0.000 1.014 86 R CB 0.545 29.852 30.300 -1.654 0.000 1.007 86 R HN 0.332 nan 8.270 nan 0.000 0.466 87 L N 5.179 126.301 121.223 -0.168 0.000 2.325 87 L HA 0.445 4.785 4.340 0.000 0.000 0.281 87 L C -2.450 174.537 176.870 0.196 0.000 1.004 87 L CA -2.158 52.633 54.840 -0.083 0.000 0.823 87 L CB 1.737 43.657 42.059 -0.231 0.000 1.236 87 L HN 0.417 nan 8.230 nan 0.000 0.415 88 P HA -0.003 nan 4.420 nan 0.000 0.269 88 P C 0.740 178.125 177.300 0.142 0.000 1.215 88 P CA -0.095 63.166 63.100 0.269 0.000 0.780 88 P CB 0.862 32.641 31.700 0.131 0.000 0.898 89 V N 2.476 122.458 119.914 0.115 0.000 2.626 89 V HA -0.217 3.903 4.120 0.000 0.000 0.252 89 V C 1.901 178.036 176.094 0.068 0.000 1.067 89 V CA 2.529 64.862 62.300 0.054 0.000 1.081 89 V CB -1.237 30.594 31.823 0.014 0.000 0.686 89 V HN 0.665 nan 8.190 nan 0.000 0.468 90 A N -0.326 122.546 122.820 0.087 0.000 2.206 90 A HA 0.197 4.517 4.320 0.000 0.000 0.211 90 A C 0.919 178.586 177.584 0.138 0.000 1.158 90 A CA 0.395 52.495 52.037 0.105 0.000 0.761 90 A CB -0.293 18.771 19.000 0.106 0.000 0.801 90 A HN 0.451 nan 8.150 nan 0.000 0.473 91 I N 1.334 121.984 120.570 0.135 0.000 2.359 91 I HA 0.342 4.512 4.170 0.000 0.000 0.294 91 I C 0.530 176.757 176.117 0.184 0.000 0.987 91 I CA 0.111 61.519 61.300 0.179 0.000 1.225 91 I CB 0.737 38.809 38.000 0.121 0.000 1.366 91 I HN 0.245 nan 8.210 nan 0.000 0.466 92 T N 0.806 115.521 114.554 0.267 0.000 2.888 92 T HA 0.506 4.856 4.350 0.000 0.000 0.288 92 T C 0.057 175.012 174.700 0.425 0.000 1.063 92 T CA -0.424 61.848 62.100 0.286 0.000 1.010 92 T CB 1.248 70.306 68.868 0.315 0.000 1.214 92 T HN 0.707 nan 8.240 nan 0.000 0.533 93 H N -2.698 116.484 119.070 0.187 0.000 2.861 93 H HA -0.133 4.423 4.556 0.000 0.000 0.289 93 H C -0.674 174.795 175.328 0.234 0.000 1.176 93 H CA 0.949 57.103 56.048 0.177 0.000 1.146 93 H CB -2.059 27.785 29.762 0.136 0.000 1.330 93 H HN 0.697 nan 8.280 nan 0.000 0.379 94 W N 1.978 123.389 121.300 0.185 0.000 2.397 94 W HA 0.248 4.908 4.660 0.000 0.000 0.327 94 W C 0.579 177.170 176.519 0.121 0.000 1.421 94 W CA 0.176 57.619 57.345 0.163 0.000 1.288 94 W CB 0.314 29.784 29.460 0.016 0.000 1.312 94 W HN 0.232 nan 8.180 nan 0.000 0.559 95 R N 8.535 128.754 120.500 -0.470 0.000 2.514 95 R HA 0.413 4.753 4.340 0.000 0.000 0.296 95 R C -2.743 172.999 176.300 -0.931 0.000 1.012 95 R CA -1.871 53.904 56.100 -0.541 0.000 0.897 95 R CB 1.974 32.112 30.300 -0.270 0.000 1.184 95 R HN 0.145 nan 8.270 nan 0.000 0.440 96 P HA 0.296 nan 4.420 nan 0.000 0.286 96 P C -0.834 176.026 177.300 -0.734 0.000 1.261 96 P CA -0.344 62.330 63.100 -0.710 0.000 0.821 96 P CB 1.365 32.836 31.700 -0.382 0.000 1.013 97 H N -0.666 118.223 119.070 -0.302 0.000 3.463 97 H HA 0.357 4.913 4.556 0.000 0.000 0.213 97 H C 0.193 175.422 175.328 -0.165 0.000 1.629 97 H CA -0.573 55.355 56.048 -0.200 0.000 1.681 97 H CB 0.218 29.868 29.762 -0.187 0.000 1.239 97 H HN 0.327 nan 8.280 nan 0.000 0.948 98 S N 0.112 115.830 115.700 0.030 0.000 2.586 98 S HA 0.068 4.539 4.470 0.000 0.000 0.274 98 S C 1.248 175.823 174.600 -0.041 0.000 1.281 98 S CA -0.126 58.075 58.200 0.001 0.000 1.035 98 S CB 0.600 63.832 63.200 0.053 0.000 0.962 98 S HN 0.637 nan 8.310 nan 0.000 0.512 99 S N 2.299 117.981 115.700 -0.029 0.000 2.461 99 S HA -0.061 4.410 4.470 0.000 0.000 0.228 99 S C 0.822 175.405 174.600 -0.028 0.000 1.005 99 S CA 0.276 58.443 58.200 -0.055 0.000 0.942 99 S CB -0.516 62.666 63.200 -0.030 0.000 0.776 99 S HN 0.875 nan 8.310 nan 0.000 0.514 100 H N 0.958 119.998 119.070 -0.050 0.000 2.955 100 H HA 0.287 4.843 4.556 0.000 0.000 0.290 100 H C -0.995 174.319 175.328 -0.022 0.000 1.047 100 H CA -0.141 55.891 56.048 -0.026 0.000 1.484 100 H CB 0.211 29.966 29.762 -0.012 0.000 1.501 100 H HN 0.359 nan 8.280 nan 0.000 0.521 101 c N 6.942 125.230 118.600 -0.521 0.000 2.281 101 c HA 0.236 4.807 4.570 0.000 0.000 0.323 101 c C 0.181 174.008 174.090 -0.438 0.000 1.270 101 c CA -0.644 55.475 56.329 -0.349 0.000 1.559 101 c CB -0.002 42.414 42.510 -0.157 0.000 2.239 101 c HN 0.871 nan 8.230 nan 0.000 0.488 102 Q N 3.854 123.468 119.800 -0.309 0.000 2.255 102 Q HA 0.112 4.453 4.340 0.000 0.000 0.280 102 Q C 0.092 176.073 176.000 -0.033 0.000 1.068 102 Q CA 0.646 56.375 55.803 -0.124 0.000 0.911 102 Q CB 0.608 29.350 28.738 0.007 0.000 1.157 102 Q HN 0.618 nan 8.270 nan 0.000 0.380 103 R N 3.141 123.628 120.500 -0.022 0.000 2.605 103 R HA 0.119 4.459 4.340 0.000 0.000 0.271 103 R C -0.716 175.525 176.300 -0.097 0.000 1.418 103 R CA 0.083 56.133 56.100 -0.083 0.000 1.102 103 R CB -0.019 30.212 30.300 -0.115 0.000 1.131 103 R HN 0.414 nan 8.270 nan 0.000 0.554 104 N N 1.460 120.109 118.700 -0.086 0.000 2.430 104 N HA 0.170 4.910 4.740 0.000 0.000 0.290 104 N C -1.197 174.263 175.510 -0.082 0.000 1.063 104 N CA -0.502 52.506 53.050 -0.070 0.000 0.883 104 N CB 2.498 40.965 38.487 -0.033 0.000 1.465 104 N HN 0.017 nan 8.380 nan 0.000 0.493 105 V N 1.491 121.348 119.914 -0.095 0.000 2.348 105 V HA 0.453 4.573 4.120 0.000 0.000 0.270 105 V C 0.503 176.564 176.094 -0.055 0.000 1.037 105 V CA -0.897 61.346 62.300 -0.096 0.000 0.872 105 V CB 0.717 32.464 31.823 -0.127 0.000 1.002 105 V HN 0.730 nan 8.190 nan 0.000 0.464 106 A N 4.899 127.694 122.820 -0.043 0.000 2.350 106 A HA 0.734 5.054 4.320 0.000 0.000 0.293 106 A C 0.569 178.141 177.584 -0.020 0.000 1.231 106 A CA 0.000 52.021 52.037 -0.027 0.000 0.883 106 A CB 0.175 19.160 19.000 -0.024 0.000 1.133 106 A HN 1.152 nan 8.150 nan 0.000 0.533 107 A N 2.365 125.178 122.820 -0.012 0.000 2.306 107 A HA 0.797 5.117 4.320 0.000 0.000 0.314 107 A C 0.258 177.841 177.584 -0.002 0.000 1.164 107 A CA 0.170 52.207 52.037 -0.001 0.000 0.822 107 A CB 0.785 19.787 19.000 0.002 0.000 1.130 107 A HN 2.177 nan 8.150 nan 0.000 0.496 108 A N 2.106 124.926 122.820 0.000 0.000 2.486 108 A HA 0.723 5.043 4.320 0.000 0.000 0.300 108 A C -0.732 176.840 177.584 -0.020 0.000 1.048 108 A CA -0.693 51.339 52.037 -0.009 0.000 0.696 108 A CB 1.222 20.215 19.000 -0.012 0.000 1.278 108 A HN 0.691 nan 8.150 nan 0.000 0.405 109 K N 1.299 121.669 120.400 -0.049 0.000 2.389 109 K HA 0.566 4.886 4.320 0.000 0.000 0.261 109 K C -1.088 175.308 176.600 -0.340 0.000 1.014 109 K CA -0.239 55.968 56.287 -0.132 0.000 0.920 109 K CB 1.731 34.193 32.500 -0.063 0.000 1.149 109 K HN 0.454 nan 8.250 nan 0.000 0.444 110 V N 3.711 123.447 119.914 -0.296 0.000 2.483 110 V HA 0.240 4.361 4.120 0.000 0.000 0.295 110 V C 0.570 176.480 176.094 -0.307 0.000 1.035 110 V CA -0.673 61.467 62.300 -0.267 0.000 0.896 110 V CB 1.415 33.214 31.823 -0.040 0.000 0.986 110 V HN 0.858 nan 8.190 nan 0.000 0.447 111 H N 1.489 120.674 119.070 0.192 0.000 2.885 111 H HA 0.263 4.819 4.556 0.000 0.000 0.260 111 H C 0.723 176.196 175.328 0.242 0.000 0.985 111 H CA 0.627 56.788 56.048 0.190 0.000 1.210 111 H CB 1.144 30.966 29.762 0.100 0.000 1.466 111 H HN 0.691 nan 8.280 nan 0.000 0.493 112 S N -0.547 115.326 115.700 0.288 0.000 2.697 112 S HA 0.254 4.724 4.470 0.000 0.000 0.289 112 S C 0.869 175.520 174.600 0.085 0.000 1.149 112 S CA -0.465 57.867 58.200 0.219 0.000 0.850 112 S CB 2.083 65.375 63.200 0.152 0.000 1.151 112 S HN -0.037 nan 8.310 nan 0.000 0.491 113 T N 0.797 115.371 114.554 0.034 0.000 2.821 113 T HA -0.048 4.302 4.350 0.000 0.000 0.267 113 T C 1.556 176.210 174.700 -0.076 0.000 1.046 113 T CA 1.585 63.632 62.100 -0.087 0.000 1.139 113 T CB -0.504 68.329 68.868 -0.059 0.000 0.871 113 T HN 0.757 nan 8.240 nan 0.000 0.454 114 E N 0.859 121.050 120.200 -0.014 0.000 2.085 114 E HA -0.150 4.200 4.350 0.000 0.000 0.194 114 E C 2.467 179.065 176.600 -0.005 0.000 0.994 114 E CA 1.301 57.701 56.400 0.000 0.000 0.801 114 E CB -0.443 29.280 29.700 0.039 0.000 0.743 114 E HN 0.541 nan 8.360 nan 0.000 0.453 115 G N 0.407 109.210 108.800 0.005 0.000 2.408 115 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 115 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 115 G C 1.663 176.532 174.900 -0.051 0.000 1.150 115 G CA 0.807 45.907 45.100 -0.000 0.000 0.776 115 G HN 0.224 nan 8.290 nan 0.000 0.542 116 V N 1.500 121.347 119.914 -0.111 0.000 2.343 116 V HA -0.122 3.998 4.120 0.000 0.000 0.247 116 V C 3.303 179.324 176.094 -0.123 0.000 1.051 116 V CA 1.975 64.176 62.300 -0.165 0.000 1.036 116 V CB -0.761 30.878 31.823 -0.308 0.000 0.654 116 V HN 0.466 nan 8.190 nan 0.000 0.451 117 A N -0.167 122.590 122.820 -0.106 0.000 1.902 117 A HA -0.238 4.082 4.320 0.000 0.000 0.217 117 A C 2.418 179.965 177.584 -0.061 0.000 1.181 117 A CA 1.945 53.928 52.037 -0.090 0.000 0.623 117 A CB -0.554 18.395 19.000 -0.085 0.000 0.818 117 A HN 0.465 nan 8.150 nan 0.000 0.443 118 R N -0.491 119.988 120.500 -0.035 0.000 2.073 118 R HA -0.145 4.195 4.340 0.000 0.000 0.234 118 R C 1.874 178.158 176.300 -0.026 0.000 1.134 118 R CA 1.601 57.695 56.100 -0.010 0.000 0.952 118 R CB -0.175 30.130 30.300 0.008 0.000 0.850 118 R HN 0.448 nan 8.270 nan 0.000 0.433 119 E N 0.129 120.305 120.200 -0.041 0.000 2.150 119 E HA -0.138 4.212 4.350 0.000 0.000 0.193 119 E C 1.775 178.342 176.600 -0.054 0.000 0.985 119 E CA 1.201 57.575 56.400 -0.045 0.000 0.814 119 E CB -0.154 29.517 29.700 -0.048 0.000 0.752 119 E HN 0.444 nan 8.360 nan 0.000 0.466 120 A N 1.329 124.111 122.820 -0.063 0.000 1.872 120 A HA 0.030 4.350 4.320 0.000 0.000 0.214 120 A C 2.360 179.902 177.584 -0.070 0.000 1.187 120 A CA 1.675 53.675 52.037 -0.062 0.000 0.614 120 A CB -0.461 18.495 19.000 -0.072 0.000 0.826 120 A HN 0.243 nan 8.150 nan 0.000 0.442 121 A N -0.295 122.478 122.820 -0.079 0.000 2.121 121 A HA 0.314 4.635 4.320 0.000 0.000 0.218 121 A C 2.186 179.716 177.584 -0.091 0.000 1.154 121 A CA 1.376 53.354 52.037 -0.099 0.000 0.679 121 A CB -0.734 18.220 19.000 -0.076 0.000 0.795 121 A HN 1.031 nan 8.150 nan 0.000 0.458 122 A N 0.106 122.881 122.820 -0.075 0.000 2.259 122 A HA -0.132 4.188 4.320 0.000 0.000 0.212 122 A C 1.483 178.983 177.584 -0.139 0.000 1.178 122 A CA 1.381 53.372 52.037 -0.077 0.000 0.734 122 A CB -0.762 18.204 19.000 -0.056 0.000 0.774 122 A HN 0.708 nan 8.150 nan 0.000 0.481 123 N N -0.791 117.779 118.700 -0.217 0.000 2.412 123 N HA 0.198 4.938 4.740 0.000 0.000 0.184 123 N C -0.286 174.835 175.510 -0.649 0.000 1.101 123 N CA -0.013 52.812 53.050 -0.374 0.000 0.881 123 N CB 0.174 38.455 38.487 -0.343 0.000 0.969 123 N HN 0.454 nan 8.380 nan 0.000 0.459 124 I N 1.453 121.741 120.570 -0.471 0.000 2.322 124 I HA 0.052 4.223 4.170 0.000 0.000 0.292 124 I C 0.674 176.677 176.117 -0.190 0.000 1.060 124 I CA -0.332 60.739 61.300 -0.382 0.000 1.309 124 I CB 0.847 38.771 38.000 -0.128 0.000 1.415 124 I HN 0.112 nan 8.210 nan 0.000 0.492 125 N N 4.709 123.291 118.700 -0.197 0.000 2.270 125 N HA -0.079 4.662 4.740 0.000 0.000 0.181 125 N C 0.484 175.958 175.510 -0.061 0.000 1.016 125 N CA 0.739 53.717 53.050 -0.120 0.000 0.870 125 N CB -0.147 38.265 38.487 -0.125 0.000 0.979 125 N HN 0.684 nan 8.380 nan 0.000 0.431 126 N N 0.358 119.039 118.700 -0.030 0.000 2.604 126 N HA 0.025 4.765 4.740 0.000 0.000 0.297 126 N C -0.838 174.681 175.510 0.015 0.000 1.266 126 N CA -0.399 52.644 53.050 -0.012 0.000 0.961 126 N CB 0.306 38.784 38.487 -0.015 0.000 1.166 126 N HN -0.252 nan 8.380 nan 0.000 0.601 127 D N 0.640 121.019 120.400 -0.036 0.000 2.468 127 D HA 0.094 4.735 4.640 0.000 0.000 0.218 127 D C 1.056 177.293 176.300 -0.105 0.000 1.155 127 D CA -0.714 53.203 54.000 -0.139 0.000 0.924 127 D CB -0.251 40.454 40.800 -0.159 0.000 1.029 127 D HN 0.601 nan 8.370 nan 0.000 0.515 128 W N 3.744 125.043 121.300 -0.003 0.000 2.468 128 W HA -0.098 4.562 4.660 0.000 0.000 0.262 128 W C 0.764 177.408 176.519 0.209 0.000 1.241 128 W CA -0.098 57.281 57.345 0.056 0.000 1.232 128 W CB -0.597 28.758 29.460 -0.174 0.000 1.124 128 W HN 0.291 nan 8.180 nan 0.000 0.597 129 R N 1.094 121.240 120.500 -0.591 0.000 2.189 129 R HA 0.026 4.366 4.340 0.000 0.000 0.218 129 R C 0.991 177.210 176.300 -0.135 0.000 1.074 129 R CA 0.384 56.180 56.100 -0.507 0.000 0.991 129 R CB -0.718 29.108 30.300 -0.790 0.000 0.883 129 R HN -0.119 nan 8.270 nan 0.000 0.457 130 V N 1.938 121.801 119.914 -0.086 0.000 2.539 130 V HA -0.060 4.060 4.120 0.000 0.000 0.294 130 V C 1.386 177.516 176.094 0.060 0.000 0.994 130 V CA 1.713 64.001 62.300 -0.019 0.000 1.169 130 V CB 0.003 31.815 31.823 -0.018 0.000 0.898 130 V HN 0.799 nan 8.190 nan 0.000 0.471 131 G N 4.055 112.889 108.800 0.056 0.000 2.176 131 G HA2 -0.213 3.747 3.960 0.000 0.000 0.253 131 G HA3 -0.213 3.747 3.960 0.000 0.000 0.253 131 G C -0.125 174.826 174.900 0.086 0.000 0.979 131 G CA 0.137 45.302 45.100 0.108 0.000 0.641 131 G HN 0.600 nan 8.290 nan 0.000 0.530 132 L N 0.686 121.950 121.223 0.069 0.000 2.330 132 L HA 0.519 4.859 4.340 0.000 0.000 0.271 132 L C -0.657 176.228 176.870 0.024 0.000 1.013 132 L CA -1.160 53.716 54.840 0.060 0.000 0.816 132 L CB 1.465 43.607 42.059 0.138 0.000 1.287 132 L HN -0.072 nan 8.230 nan 0.000 0.435 133 D N 2.665 123.080 120.400 0.025 0.000 2.494 133 D HA 0.136 4.776 4.640 0.000 0.000 0.217 133 D C 0.584 176.911 176.300 0.045 0.000 1.153 133 D CA 0.099 54.110 54.000 0.019 0.000 0.954 133 D CB 1.346 42.155 40.800 0.015 0.000 1.034 133 D HN 0.328 nan 8.370 nan 0.000 0.518 134 V N -0.483 119.453 119.914 0.035 0.000 3.006 134 V HA 0.194 4.314 4.120 0.000 0.000 0.357 134 V C 0.224 176.337 176.094 0.032 0.000 1.377 134 V CA -0.768 61.574 62.300 0.071 0.000 1.198 134 V CB -1.004 30.891 31.823 0.120 0.000 1.216 134 V HN 0.124 nan 8.190 nan 0.000 0.520 138 P HA -0.213 nan 4.420 nan 0.000 0.218 138 P C 0.600 177.827 177.300 -0.122 0.000 1.149 138 P CA 1.213 64.255 63.100 -0.097 0.000 0.817 138 P CB 0.307 31.973 31.700 -0.058 0.000 0.785 139 E N -0.268 119.843 120.200 -0.148 0.000 2.230 139 E HA 0.035 4.385 4.350 0.000 0.000 0.192 139 E C 1.529 177.924 176.600 -0.341 0.000 0.987 139 E CA 0.771 57.081 56.400 -0.149 0.000 0.841 139 E CB -0.664 28.989 29.700 -0.078 0.000 0.783 139 E HN 0.090 nan 8.360 nan 0.000 0.481 140 A N 1.125 123.576 122.820 -0.615 0.000 2.337 140 A HA 0.118 4.438 4.320 0.000 0.000 0.227 140 A C 1.141 178.137 177.584 -0.981 0.000 1.259 140 A CA -0.211 50.943 52.037 -1.472 0.000 0.870 140 A CB -0.372 17.724 19.000 -1.507 0.000 0.927 140 A HN 0.189 nan 8.150 nan 0.000 0.497 141 N N -0.373 118.077 118.700 -0.417 0.000 2.204 141 N HA 0.144 4.885 4.740 0.000 0.000 0.219 141 N C -0.361 175.131 175.510 -0.030 0.000 1.151 141 N CA -0.155 52.799 53.050 -0.160 0.000 0.867 141 N CB 0.208 38.627 38.487 -0.113 0.000 1.043 141 N HN 0.274 nan 8.380 nan 0.000 0.516 142 M N 1.380 120.986 119.600 0.010 0.000 2.341 142 M HA 0.116 4.596 4.480 0.000 0.000 0.336 142 M C 0.311 176.701 176.300 0.151 0.000 1.489 142 M CA 0.666 56.020 55.300 0.090 0.000 1.278 142 M CB -0.517 32.154 32.600 0.119 0.000 1.657 142 M HN 0.158 nan 8.290 nan 0.000 0.455 143 R N 0.857 121.421 120.500 0.106 0.000 3.405 143 R HA -0.181 4.159 4.340 0.000 0.000 0.258 143 R C -0.153 176.228 176.300 0.136 0.000 1.030 143 R CA 0.596 56.759 56.100 0.105 0.000 0.691 143 R CB -1.906 28.451 30.300 0.095 0.000 1.093 143 R HN 0.765 nan 8.270 nan 0.000 0.448 144 A N 0.986 123.898 122.820 0.153 0.000 2.409 144 A HA 0.423 4.743 4.320 0.000 0.000 0.262 144 A C 0.414 178.082 177.584 0.141 0.000 1.113 144 A CA -0.149 52.006 52.037 0.198 0.000 0.790 144 A CB 0.655 19.775 19.000 0.201 0.000 1.046 144 A HN 0.268 nan 8.150 nan 0.000 0.496 145 S N 2.031 117.801 115.700 0.116 0.000 2.442 145 S HA 0.450 4.920 4.470 0.000 0.000 0.297 145 S C 0.718 175.360 174.600 0.070 0.000 1.131 145 S CA -0.721 57.516 58.200 0.062 0.000 1.092 145 S CB 1.526 64.718 63.200 -0.013 0.000 0.998 145 S HN 0.512 nan 8.310 nan 0.000 0.478 146 V N 1.147 121.118 119.914 0.096 0.000 2.950 146 V HA 0.351 4.471 4.120 0.000 0.000 0.231 146 V C 1.092 177.151 176.094 -0.057 0.000 1.205 146 V CA 0.526 62.889 62.300 0.104 0.000 1.239 146 V CB -0.664 31.332 31.823 0.289 0.000 1.050 146 V HN 0.878 nan 8.190 nan 0.000 0.498 147 A N 0.407 123.134 122.820 -0.156 0.000 2.366 147 A HA 0.522 4.842 4.320 0.000 0.000 0.272 147 A C 1.384 178.842 177.584 -0.210 0.000 1.135 147 A CA 0.595 52.387 52.037 -0.409 0.000 0.804 147 A CB -0.220 18.360 19.000 -0.700 0.000 1.064 147 A HN 1.582 nan 8.150 nan 0.000 0.499 148 G N 1.655 110.338 108.800 -0.196 0.000 2.166 148 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 148 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 148 G C 1.263 176.084 174.900 -0.132 0.000 0.986 148 G CA 1.501 46.522 45.100 -0.131 0.000 0.683 148 G HN 1.983 nan 8.290 nan 0.000 0.527 149 S N -0.793 114.809 115.700 -0.164 0.000 2.382 149 S HA -0.109 4.361 4.470 0.000 0.000 0.228 149 S C 1.472 175.821 174.600 -0.419 0.000 1.027 149 S CA 1.540 59.571 58.200 -0.281 0.000 0.991 149 S CB -0.280 62.729 63.200 -0.318 0.000 0.823 149 S HN 0.611 nan 8.310 nan 0.000 0.469 150 H N 1.937 120.972 119.070 -0.060 0.000 2.487 150 H HA 0.412 4.968 4.556 0.000 0.000 0.290 150 H C 0.472 175.769 175.328 -0.051 0.000 1.081 150 H CA 0.251 56.267 56.048 -0.054 0.000 1.116 150 H CB -0.135 29.601 29.762 -0.044 0.000 1.560 150 H HN 0.599 nan 8.280 nan 0.000 0.548 151 S N 0.028 115.723 115.700 -0.008 0.000 2.585 151 S HA 0.103 4.573 4.470 0.000 0.000 0.273 151 S C 1.430 176.005 174.600 -0.042 0.000 1.339 151 S CA -0.649 57.536 58.200 -0.025 0.000 1.028 151 S CB 2.038 65.202 63.200 -0.059 0.000 0.906 151 S HN 0.223 nan 8.310 nan 0.000 0.528 152 K N 0.649 121.030 120.400 -0.032 0.000 2.103 152 K HA -0.102 4.218 4.320 0.000 0.000 0.207 152 K C 1.955 178.396 176.600 -0.265 0.000 1.048 152 K CA 1.369 57.628 56.287 -0.046 0.000 0.930 152 K CB -0.582 31.965 32.500 0.078 0.000 0.716 152 K HN 0.486 nan 8.250 nan 0.000 0.444 153 V N 0.979 120.666 119.914 -0.379 0.000 2.427 153 V HA -0.203 3.918 4.120 0.000 0.000 0.248 153 V C 2.095 178.033 176.094 -0.260 0.000 1.051 153 V CA 1.969 63.946 62.300 -0.538 0.000 1.048 153 V CB -0.209 31.401 31.823 -0.355 0.000 0.666 153 V HN 0.358 nan 8.190 nan 0.000 0.456 154 A N -0.030 122.679 122.820 -0.184 0.000 1.897 154 A HA -0.160 4.160 4.320 0.000 0.000 0.215 154 A C 1.988 179.496 177.584 -0.126 0.000 1.181 154 A CA 1.686 53.625 52.037 -0.163 0.000 0.620 154 A CB -0.694 18.215 19.000 -0.151 0.000 0.821 154 A HN 0.616 nan 8.150 nan 0.000 0.443 155 N N -0.792 117.860 118.700 -0.080 0.000 2.166 155 N HA -0.147 4.593 4.740 0.000 0.000 0.186 155 N C 1.420 176.917 175.510 -0.020 0.000 1.019 155 N CA 1.520 54.550 53.050 -0.034 0.000 0.856 155 N CB -0.598 37.895 38.487 0.009 0.000 0.993 155 N HN 0.595 nan 8.380 nan 0.000 0.426 156 F N 1.634 121.477 119.950 -0.179 0.000 2.113 156 F HA -0.067 4.460 4.527 0.000 0.000 0.297 156 F C 2.204 177.922 175.800 -0.137 0.000 1.103 156 F CA 1.493 59.406 58.000 -0.145 0.000 1.248 156 F CB -0.328 38.535 39.000 -0.227 0.000 0.999 156 F HN 0.019 nan 8.300 nan 0.000 0.475 157 A N 0.395 123.103 122.820 -0.185 0.000 1.972 157 A HA -0.023 4.297 4.320 0.000 0.000 0.219 157 A C 2.332 179.820 177.584 -0.159 0.000 1.169 157 A CA 1.619 53.425 52.037 -0.385 0.000 0.635 157 A CB -1.468 17.134 19.000 -0.664 0.000 0.810 157 A HN 0.549 nan 8.150 nan 0.000 0.446 158 A N -0.614 122.132 122.820 -0.123 0.000 1.872 158 A HA -0.015 4.305 4.320 0.000 0.000 0.214 158 A C 1.989 179.566 177.584 -0.012 0.000 1.187 158 A CA 1.666 53.676 52.037 -0.046 0.000 0.614 158 A CB -0.665 18.298 19.000 -0.061 0.000 0.826 158 A HN 0.401 nan 8.150 nan 0.000 0.442 159 E N 0.194 120.352 120.200 -0.070 0.000 2.085 159 E HA -0.177 4.173 4.350 0.000 0.000 0.194 159 E C 2.192 178.771 176.600 -0.034 0.000 0.994 159 E CA 1.491 57.868 56.400 -0.039 0.000 0.801 159 E CB -0.335 29.317 29.700 -0.080 0.000 0.743 159 E HN 0.573 nan 8.360 nan 0.000 0.453 160 K N -0.123 120.139 120.400 -0.229 0.000 2.001 160 K HA -0.048 4.272 4.320 0.000 0.000 0.208 160 K C 2.549 179.175 176.600 0.043 0.000 1.048 160 K CA 1.643 57.705 56.287 -0.374 0.000 0.932 160 K CB -1.002 30.922 32.500 -0.961 0.000 0.715 160 K HN 0.253 nan 8.250 nan 0.000 0.437 161 T N 1.016 115.657 114.554 0.145 0.000 2.699 161 T HA -0.213 4.137 4.350 0.000 0.000 0.268 161 T C 1.725 176.553 174.700 0.213 0.000 1.036 161 T CA 1.572 63.818 62.100 0.244 0.000 1.147 161 T CB -0.434 68.564 68.868 0.217 0.000 0.862 161 T HN 0.307 nan 8.240 nan 0.000 0.446 162 Y N 1.282 121.624 120.300 0.070 0.000 2.242 162 Y HA -0.144 4.406 4.550 0.000 0.000 0.291 162 Y C 2.547 178.488 175.900 0.068 0.000 1.137 162 Y CA 1.301 59.431 58.100 0.049 0.000 1.181 162 Y CB -0.073 38.397 38.460 0.016 0.000 0.989 162 Y HN 0.250 nan 8.280 nan 0.000 0.527 163 Q N -0.587 119.262 119.800 0.081 0.000 2.096 163 Q HA -0.011 4.329 4.340 0.000 0.000 0.197 163 Q C 0.010 176.041 176.000 0.052 0.000 0.964 163 Q CA 1.259 57.089 55.803 0.045 0.000 0.838 163 Q CB 0.334 29.178 28.738 0.177 0.000 0.906 163 Q HN 0.302 nan 8.270 nan 0.000 0.444 164 D N -1.992 118.517 120.400 0.181 0.000 2.692 164 D HA 0.061 4.701 4.640 0.000 0.000 0.290 164 D C -1.656 174.692 176.300 0.080 0.000 1.281 164 D CA -0.568 53.469 54.000 0.062 0.000 0.804 164 D CB 1.107 41.863 40.800 -0.072 0.000 1.331 164 D HN -0.140 nan 8.370 nan 0.000 0.432 165 Q N 1.348 121.154 119.800 0.011 0.000 2.307 165 Q HA 0.284 4.624 4.340 0.000 0.000 0.261 165 Q C -1.172 174.721 176.000 -0.179 0.000 1.051 165 Q CA -0.004 55.804 55.803 0.008 0.000 0.911 165 Q CB 0.285 29.052 28.738 0.048 0.000 1.227 165 Q HN 0.334 nan 8.270 nan 0.000 0.418 166 Y N 2.083 122.309 120.300 -0.123 0.000 2.509 166 Y HA 0.401 4.952 4.550 0.000 0.000 0.341 166 Y C 0.141 175.766 175.900 -0.458 0.000 1.038 166 Y CA -0.945 56.943 58.100 -0.354 0.000 1.089 166 Y CB 1.810 39.913 38.460 -0.595 0.000 1.241 166 Y HN 0.548 nan 8.280 nan 0.000 0.468 167 N N 1.723 120.227 118.700 -0.326 0.000 2.284 167 N HA 0.416 5.156 4.740 0.000 0.000 0.300 167 N C -1.755 173.511 175.510 -0.406 0.000 1.047 167 N CA -0.513 52.388 53.050 -0.248 0.000 0.821 167 N CB 1.213 39.649 38.487 -0.085 0.000 1.337 167 N HN 0.400 nan 8.380 nan 0.000 0.482 168 F N 0.756 120.725 119.950 0.033 0.000 2.450 168 F HA 0.398 4.925 4.527 0.000 0.000 0.332 168 F C 0.659 176.443 175.800 -0.027 0.000 1.093 168 F CA -0.973 57.043 58.000 0.027 0.000 1.003 168 F CB 1.352 40.373 39.000 0.035 0.000 1.151 168 F HN 0.330 nan 8.300 nan 0.000 0.474 169 N N 0.880 119.689 118.700 0.182 0.000 2.399 169 N HA 0.349 5.089 4.740 0.000 0.000 0.280 169 N C -1.494 174.089 175.510 0.120 0.000 1.008 169 N CA -0.259 52.847 53.050 0.092 0.000 0.894 169 N CB 1.626 40.135 38.487 0.038 0.000 1.273 169 N HN 0.503 nan 8.380 nan 0.000 0.486 170 S N 2.497 118.244 115.700 0.078 0.000 2.437 170 S HA 0.432 4.903 4.470 0.000 0.000 0.305 170 S C -1.535 173.098 174.600 0.055 0.000 1.109 170 S CA -0.703 57.536 58.200 0.065 0.000 1.099 170 S CB 0.395 63.611 63.200 0.027 0.000 1.004 170 S HN 0.527 nan 8.310 nan 0.000 0.475 171 D N 3.428 123.864 120.400 0.061 0.000 2.481 171 D HA 0.409 5.049 4.640 0.000 0.000 0.246 171 D C -0.948 175.325 176.300 -0.045 0.000 1.109 171 D CA -0.135 53.875 54.000 0.016 0.000 0.845 171 D CB 2.043 42.872 40.800 0.048 0.000 1.160 171 D HN 0.485 nan 8.370 nan 0.000 0.534 172 T N 0.550 115.074 114.554 -0.051 0.000 2.876 172 T HA 0.527 4.877 4.350 0.000 0.000 0.289 172 T C -0.172 174.500 174.700 -0.047 0.000 1.014 172 T CA -0.675 61.395 62.100 -0.050 0.000 0.986 172 T CB 2.107 70.960 68.868 -0.026 0.000 1.021 172 T HN -0.005 nan 8.240 nan 0.000 0.458 173 V N 2.530 122.432 119.914 -0.020 0.000 2.531 173 V HA 0.529 4.649 4.120 0.000 0.000 0.301 173 V C -0.381 175.796 176.094 0.137 0.000 1.034 173 V CA -0.797 61.535 62.300 0.053 0.000 0.865 173 V CB 1.787 33.663 31.823 0.088 0.000 0.995 173 V HN 0.877 nan 8.190 nan 0.000 0.424 174 E N 2.672 122.943 120.200 0.117 0.000 2.248 174 E HA 0.626 4.976 4.350 0.000 0.000 0.267 174 E C -1.591 175.049 176.600 0.066 0.000 0.877 174 E CA -0.543 55.916 56.400 0.098 0.000 0.759 174 E CB 2.268 31.981 29.700 0.023 0.000 1.182 174 E HN 0.708 nan 8.360 nan 0.000 0.418 175 c N 2.466 121.079 118.600 0.021 0.000 2.364 175 c HA 0.442 5.012 4.570 0.000 0.000 0.324 175 c C -0.044 173.972 174.090 -0.122 0.000 1.234 175 c CA -0.840 55.440 56.329 -0.082 0.000 1.417 175 c CB 0.583 42.985 42.510 -0.180 0.000 2.101 175 c HN 0.690 nan 8.230 nan 0.000 0.466 176 R N 3.668 124.081 120.500 -0.145 0.000 2.229 176 R HA 0.457 4.797 4.340 0.000 0.000 0.328 176 R C 0.573 176.770 176.300 -0.172 0.000 1.009 176 R CA -0.464 55.529 56.100 -0.178 0.000 0.864 176 R CB 0.595 30.723 30.300 -0.287 0.000 1.085 176 R HN 0.737 nan 8.270 nan 0.000 0.453 177 M N 3.073 122.561 119.600 -0.186 0.000 2.858 177 M HA 0.169 4.649 4.480 0.000 0.000 0.255 177 M C -0.356 175.626 176.300 -0.529 0.000 1.336 177 M CA 0.978 56.024 55.300 -0.423 0.000 1.220 177 M CB 0.127 32.387 32.600 -0.567 0.000 1.252 177 M HN 0.458 nan 8.290 nan 0.000 0.538 178 Y N -0.190 120.166 120.300 0.093 0.000 2.581 178 Y HA 0.503 5.053 4.550 0.000 0.000 0.345 178 Y C -0.059 175.879 175.900 0.064 0.000 1.036 178 Y CA -1.308 56.801 58.100 0.015 0.000 1.042 178 Y CB 1.709 40.206 38.460 0.061 0.000 1.289 178 Y HN 0.054 nan 8.280 nan 0.000 0.471 179 S N 1.625 117.437 115.700 0.186 0.000 2.575 179 S HA 0.882 5.352 4.470 0.000 0.000 0.278 179 S C -1.346 173.363 174.600 0.181 0.000 1.139 179 S CA -0.755 57.504 58.200 0.097 0.000 0.954 179 S CB 1.115 64.424 63.200 0.181 0.000 1.054 179 S HN 0.719 nan 8.310 nan 0.000 0.483 180 F N -0.545 119.449 119.950 0.074 0.000 2.713 180 F HA 0.878 5.405 4.527 0.000 0.000 0.311 180 F C -0.839 175.026 175.800 0.110 0.000 1.141 180 F CA -1.295 56.791 58.000 0.144 0.000 0.939 180 F CB 1.300 40.459 39.000 0.265 0.000 1.325 180 F HN 0.893 nan 8.300 nan 0.000 0.453 181 R N 1.157 121.861 120.500 0.340 0.000 2.855 181 R HA 0.810 5.150 4.340 0.000 0.000 0.266 181 R C -2.040 174.413 176.300 0.256 0.000 1.034 181 R CA -1.082 55.128 56.100 0.185 0.000 0.944 181 R CB 1.770 32.086 30.300 0.027 0.000 1.219 181 R HN 0.692 nan 8.270 nan 0.000 0.474 182 L N 1.217 122.554 121.223 0.191 0.000 2.456 182 L HA 0.286 4.626 4.340 0.000 0.000 0.257 182 L C 0.069 177.044 176.870 0.175 0.000 1.162 182 L CA -0.381 54.580 54.840 0.201 0.000 0.808 182 L CB 1.523 43.707 42.059 0.209 0.000 1.136 182 L HN 0.597 nan 8.230 nan 0.000 0.466 183 V N 0.270 120.283 119.914 0.164 0.000 3.133 183 V HA 0.182 4.303 4.120 0.000 0.000 0.305 183 V C 1.040 177.211 176.094 0.129 0.000 1.084 183 V CA -0.608 61.775 62.300 0.140 0.000 1.089 183 V CB 0.499 32.392 31.823 0.115 0.000 1.073 183 V HN 0.800 nan 8.190 nan 0.000 0.477 184 Q N 0.878 120.744 119.800 0.109 0.000 2.096 184 Q HA -0.093 4.247 4.340 0.000 0.000 0.204 184 Q C 0.523 176.584 176.000 0.101 0.000 0.982 184 Q CA 1.757 57.618 55.803 0.097 0.000 0.850 184 Q CB -0.197 28.588 28.738 0.079 0.000 0.901 184 Q HN 0.788 nan 8.270 nan 0.000 0.422 185 K N 1.247 121.701 120.400 0.089 0.000 2.562 185 K HA 0.244 4.564 4.320 0.000 0.000 0.206 185 K C -2.426 174.219 176.600 0.075 0.000 1.033 185 K CA -1.364 54.970 56.287 0.078 0.000 1.029 185 K CB 1.405 33.940 32.500 0.059 0.000 1.393 185 K HN 0.026 nan 8.250 nan 0.000 0.539 186 P HA 0.214 nan 4.420 nan 0.000 0.275 186 P C -2.604 174.722 177.300 0.043 0.000 1.228 186 P CA -1.471 61.676 63.100 0.078 0.000 0.786 186 P CB 0.262 32.028 31.700 0.110 0.000 0.927 187 P HA 0.199 nan 4.420 nan 0.000 0.276 187 P C -0.367 176.949 177.300 0.028 0.000 1.253 187 P CA -0.214 62.903 63.100 0.028 0.000 0.766 187 P CB 0.382 32.095 31.700 0.021 0.000 0.845 188 L N 3.592 124.835 121.223 0.033 0.000 2.461 188 L HA 0.139 4.479 4.340 0.000 0.000 0.272 188 L C 1.246 178.182 176.870 0.111 0.000 1.197 188 L CA -0.010 54.873 54.840 0.073 0.000 0.836 188 L CB -0.465 41.673 42.059 0.132 0.000 1.105 188 L HN 0.445 nan 8.230 nan 0.000 0.477 189 H N 1.134 120.254 119.070 0.083 0.000 2.732 189 H HA 0.146 4.702 4.556 0.000 0.000 0.351 189 H C 0.880 176.285 175.328 0.128 0.000 1.090 189 H CA 0.197 56.312 56.048 0.111 0.000 1.431 189 H CB 0.755 30.614 29.762 0.163 0.000 1.447 189 H HN 0.511 nan 8.280 nan 0.000 0.582 190 L N 2.508 123.740 121.223 0.014 0.000 2.131 190 L HA -0.171 4.169 4.340 0.000 0.000 0.210 190 L C 1.403 178.367 176.870 0.157 0.000 1.092 190 L CA 1.205 56.078 54.840 0.055 0.000 0.759 190 L CB -0.190 41.857 42.059 -0.019 0.000 0.903 190 L HN 0.709 nan 8.230 nan 0.000 0.435 191 D N -0.411 120.191 120.400 0.337 0.000 2.144 191 D HA -0.208 4.432 4.640 0.000 0.000 0.200 191 D C 1.881 178.366 176.300 0.309 0.000 0.978 191 D CA 1.171 55.372 54.000 0.335 0.000 0.833 191 D CB -0.191 40.863 40.800 0.424 0.000 0.961 191 D HN 0.261 nan 8.370 nan 0.000 0.470 192 F N 1.261 121.275 119.950 0.107 0.000 2.163 192 F HA -0.051 4.476 4.527 0.000 0.000 0.297 192 F C 2.012 177.711 175.800 -0.168 0.000 1.094 192 F CA 1.001 58.849 58.000 -0.254 0.000 1.290 192 F CB 0.215 38.970 39.000 -0.409 0.000 1.017 192 F HN -0.232 nan 8.300 nan 0.000 0.483 193 K N 0.653 121.011 120.400 -0.071 0.000 2.063 193 K HA -0.225 4.096 4.320 0.000 0.000 0.208 193 K C 2.383 178.895 176.600 -0.146 0.000 1.048 193 K CA 1.956 58.158 56.287 -0.141 0.000 0.928 193 K CB -0.366 32.116 32.500 -0.030 0.000 0.713 193 K HN 0.300 nan 8.250 nan 0.000 0.442 194 K N 0.768 121.127 120.400 -0.068 0.000 2.057 194 K HA 0.042 4.362 4.320 0.000 0.000 0.206 194 K C 2.114 178.664 176.600 -0.083 0.000 1.050 194 K CA 1.401 57.660 56.287 -0.047 0.000 0.935 194 K CB -0.965 31.542 32.500 0.011 0.000 0.715 194 K HN 0.288 nan 8.250 nan 0.000 0.439 195 A N 0.727 123.485 122.820 -0.104 0.000 1.969 195 A HA 0.095 4.415 4.320 0.000 0.000 0.218 195 A C 2.404 179.838 177.584 -0.250 0.000 1.169 195 A CA 1.340 53.303 52.037 -0.123 0.000 0.635 195 A CB -0.302 18.674 19.000 -0.040 0.000 0.810 195 A HN 0.426 nan 8.150 nan 0.000 0.445 196 L N -1.332 119.660 121.223 -0.384 0.000 2.109 196 L HA -0.121 4.219 4.340 0.000 0.000 0.207 196 L C 2.831 179.569 176.870 -0.219 0.000 1.086 196 L CA 1.049 55.661 54.840 -0.380 0.000 0.760 196 L CB -0.392 41.378 42.059 -0.482 0.000 0.910 196 L HN 0.348 nan 8.230 nan 0.000 0.437 197 R N 0.178 120.580 120.500 -0.163 0.000 2.066 197 R HA -0.053 4.287 4.340 0.000 0.000 0.232 197 R C 2.087 178.335 176.300 -0.086 0.000 1.131 197 R CA 1.223 57.263 56.100 -0.100 0.000 0.955 197 R CB -0.416 29.841 30.300 -0.072 0.000 0.851 197 R HN 0.260 nan 8.270 nan 0.000 0.432 198 A N 0.990 123.756 122.820 -0.090 0.000 2.258 198 A HA 0.072 4.392 4.320 0.000 0.000 0.206 198 A C 0.577 178.101 177.584 -0.100 0.000 1.222 198 A CA 0.402 52.397 52.037 -0.071 0.000 0.822 198 A CB -0.316 18.655 19.000 -0.048 0.000 0.804 198 A HN 0.102 nan 8.150 nan 0.000 0.483 199 L N 0.350 121.483 121.223 -0.150 0.000 2.322 199 L HA 0.389 4.729 4.340 0.000 0.000 0.279 199 L C -2.330 174.472 176.870 -0.113 0.000 1.036 199 L CA -2.418 52.281 54.840 -0.234 0.000 0.807 199 L CB 1.810 43.617 42.059 -0.420 0.000 1.226 199 L HN 0.018 nan 8.230 nan 0.000 0.433 200 P HA 0.165 nan 4.420 nan 0.000 0.272 200 P C 0.470 177.863 177.300 0.154 0.000 1.230 200 P CA -0.315 62.827 63.100 0.071 0.000 0.788 200 P CB 0.585 32.357 31.700 0.120 0.000 0.949 201 R N 1.934 122.504 120.500 0.116 0.000 2.139 201 R HA -0.133 4.207 4.340 0.000 0.000 0.243 201 R C 0.973 177.364 176.300 0.152 0.000 1.145 201 R CA 2.055 58.222 56.100 0.112 0.000 0.976 201 R CB -1.444 28.895 30.300 0.065 0.000 0.866 201 R HN 0.861 nan 8.270 nan 0.000 0.449 202 N N -3.102 115.704 118.700 0.177 0.000 2.647 202 N HA 0.243 4.983 4.740 0.000 0.000 0.266 202 N C -1.506 174.097 175.510 0.156 0.000 1.373 202 N CA -0.865 52.266 53.050 0.135 0.000 0.807 202 N CB 1.121 39.648 38.487 0.068 0.000 1.513 202 N HN 0.085 nan 8.380 nan 0.000 0.505 203 F N 2.272 122.131 119.950 -0.151 0.000 2.425 203 F HA 0.229 4.756 4.527 0.000 0.000 0.354 203 F C 0.326 176.059 175.800 -0.112 0.000 1.162 203 F CA -0.729 57.134 58.000 -0.229 0.000 1.250 203 F CB -0.293 38.444 39.000 -0.439 0.000 1.579 203 F HN 0.519 nan 8.300 nan 0.000 0.589 204 N N 0.484 119.022 118.700 -0.270 0.000 2.452 204 N HA 0.080 4.820 4.740 0.000 0.000 0.296 204 N C 0.893 176.125 175.510 -0.463 0.000 1.304 204 N CA -0.206 52.688 53.050 -0.261 0.000 0.956 204 N CB 0.173 38.588 38.487 -0.120 0.000 1.106 204 N HN 0.221 nan 8.380 nan 0.000 0.555 205 S N -1.916 113.605 115.700 -0.298 0.000 2.501 205 S HA -0.007 4.463 4.470 0.000 0.000 0.220 205 S C 1.457 175.929 174.600 -0.212 0.000 0.997 205 S CA 0.683 58.703 58.200 -0.300 0.000 0.919 205 S CB -0.707 62.385 63.200 -0.180 0.000 0.778 205 S HN 0.659 nan 8.310 nan 0.000 0.523 206 S N 0.558 116.173 115.700 -0.143 0.000 2.425 206 S HA -0.059 4.411 4.470 0.000 0.000 0.225 206 S C 1.893 176.481 174.600 -0.020 0.000 1.024 206 S CA 1.152 59.314 58.200 -0.064 0.000 0.951 206 S CB -1.048 62.129 63.200 -0.039 0.000 0.796 206 S HN 0.629 nan 8.310 nan 0.000 0.498 207 T N -0.508 114.028 114.554 -0.030 0.000 3.160 207 T HA 0.169 4.519 4.350 0.000 0.000 0.257 207 T C 1.388 176.210 174.700 0.202 0.000 1.147 207 T CA 0.674 62.841 62.100 0.112 0.000 1.064 207 T CB -0.410 68.579 68.868 0.202 0.000 0.949 207 T HN 0.519 nan 8.240 nan 0.000 0.526 208 E N 0.583 120.781 120.200 -0.004 0.000 2.097 208 E HA -0.312 4.038 4.350 0.000 0.000 0.196 208 E C 2.049 178.861 176.600 0.353 0.000 1.000 208 E CA 1.328 57.796 56.400 0.112 0.000 0.804 208 E CB -0.237 29.419 29.700 -0.073 0.000 0.740 208 E HN 0.720 nan 8.360 nan 0.000 0.454 209 H N -0.459 118.723 119.070 0.186 0.000 2.357 209 H HA -0.030 4.526 4.556 0.000 0.000 0.301 209 H C 1.888 177.360 175.328 0.240 0.000 1.082 209 H CA 1.498 57.664 56.048 0.198 0.000 1.342 209 H CB 0.038 29.865 29.762 0.107 0.000 1.389 209 H HN 0.253 nan 8.280 nan 0.000 0.511 210 A N 0.280 123.266 122.820 0.278 0.000 1.908 210 A HA -0.207 4.114 4.320 0.000 0.000 0.218 210 A C 2.211 179.820 177.584 0.041 0.000 1.181 210 A CA 1.438 53.555 52.037 0.133 0.000 0.627 210 A CB -1.128 17.913 19.000 0.068 0.000 0.818 210 A HN 0.508 nan 8.150 nan 0.000 0.445 211 Y N -1.466 118.956 120.300 0.203 0.000 2.263 211 Y HA -0.139 4.411 4.550 0.000 0.000 0.292 211 Y C 2.436 178.425 175.900 0.148 0.000 1.130 211 Y CA 1.711 59.924 58.100 0.189 0.000 1.179 211 Y CB -0.490 38.149 38.460 0.298 0.000 0.998 211 Y HN 0.645 nan 8.280 nan 0.000 0.532 212 H N 0.084 119.304 119.070 0.249 0.000 2.456 212 H HA -0.122 4.435 4.556 0.000 0.000 0.296 212 H C 1.855 177.187 175.328 0.006 0.000 1.079 212 H CA 1.726 57.869 56.048 0.157 0.000 1.322 212 H CB 0.211 30.084 29.762 0.185 0.000 1.388 212 H HN 0.118 nan 8.280 nan 0.000 0.538 213 E N 0.112 120.288 120.200 -0.041 0.000 2.107 213 E HA -0.102 4.248 4.350 0.000 0.000 0.191 213 E C 2.272 178.840 176.600 -0.054 0.000 0.982 213 E CA 0.621 56.966 56.400 -0.091 0.000 0.809 213 E CB -0.274 29.394 29.700 -0.054 0.000 0.756 213 E HN 0.466 nan 8.360 nan 0.000 0.459 214 L N 0.570 121.791 121.223 -0.004 0.000 2.109 214 L HA -0.067 4.273 4.340 0.000 0.000 0.207 214 L C 2.177 179.093 176.870 0.076 0.000 1.086 214 L CA 0.958 55.853 54.840 0.091 0.000 0.760 214 L CB -0.105 41.976 42.059 0.036 0.000 0.910 214 L HN 0.028 nan 8.230 nan 0.000 0.437 215 I N -1.716 118.801 120.570 -0.088 0.000 2.286 215 I HA -0.232 3.938 4.170 0.000 0.000 0.245 215 I C 2.401 178.282 176.117 -0.393 0.000 1.104 215 I CA 1.094 62.225 61.300 -0.282 0.000 1.397 215 I CB -0.368 37.324 38.000 -0.514 0.000 1.072 215 I HN 0.087 nan 8.210 nan 0.000 0.417 216 S N -0.380 115.067 115.700 -0.422 0.000 2.447 216 S HA -0.143 4.327 4.470 0.000 0.000 0.233 216 S C 2.130 176.621 174.600 -0.181 0.000 1.006 216 S CA 1.544 59.560 58.200 -0.307 0.000 0.957 216 S CB -0.139 62.873 63.200 -0.315 0.000 0.773 216 S HN 0.444 nan 8.310 nan 0.000 0.507 217 S N -0.554 115.059 115.700 -0.144 0.000 2.412 217 S HA 0.124 4.594 4.470 0.000 0.000 0.223 217 S C 1.162 175.590 174.600 -0.286 0.000 1.048 217 S CA 0.309 58.393 58.200 -0.194 0.000 0.954 217 S CB -0.199 62.902 63.200 -0.166 0.000 0.840 217 S HN 0.594 nan 8.310 nan 0.000 0.503 218 Y N 1.657 121.909 120.300 -0.080 0.000 2.458 218 Y HA 0.418 4.968 4.550 0.000 0.000 0.256 218 Y C 1.293 177.122 175.900 -0.119 0.000 1.159 218 Y CA 0.176 58.217 58.100 -0.098 0.000 1.261 218 Y CB 0.375 38.825 38.460 -0.017 0.000 1.119 218 Y HN 0.485 nan 8.280 nan 0.000 0.524 219 G N 0.248 109.036 108.800 -0.019 0.000 2.795 219 G HA2 -0.291 3.669 3.960 0.000 0.000 0.664 219 G HA3 -0.291 3.669 3.960 0.000 0.000 0.664 219 G C 0.783 175.671 174.900 -0.022 0.000 1.381 219 G CA -0.049 45.026 45.100 -0.042 0.000 0.853 219 G HN 0.305 nan 8.290 nan 0.000 0.545 220 T N -2.886 111.684 114.554 0.026 0.000 2.978 220 T HA 0.295 4.645 4.350 0.000 0.000 0.262 220 T C 1.048 175.759 174.700 0.018 0.000 1.063 220 T CA 2.035 64.174 62.100 0.065 0.000 1.140 220 T CB 0.059 69.073 68.868 0.243 0.000 0.886 220 T HN 0.928 nan 8.240 nan 0.000 0.470 221 H N 0.148 119.264 119.070 0.076 0.000 2.906 221 H HA 0.652 5.208 4.556 0.000 0.000 0.337 221 H C -1.236 174.177 175.328 0.142 0.000 1.257 221 H CA -1.442 54.667 56.048 0.102 0.000 1.192 221 H CB 1.358 31.142 29.762 0.036 0.000 1.912 221 H HN 0.339 nan 8.280 nan 0.000 0.573 222 F N -0.933 119.070 119.950 0.089 0.000 2.591 222 F HA 0.562 5.089 4.527 0.000 0.000 0.309 222 F C -1.366 174.443 175.800 0.016 0.000 1.098 222 F CA -1.292 56.703 58.000 -0.010 0.000 0.937 222 F CB 0.591 39.551 39.000 -0.067 0.000 1.250 222 F HN 0.292 nan 8.300 nan 0.000 0.447 223 I N 3.050 123.604 120.570 -0.028 0.000 2.517 223 I HA 0.116 4.286 4.170 0.000 0.000 0.285 223 I C 1.056 177.130 176.117 -0.071 0.000 1.106 223 I CA 0.418 61.666 61.300 -0.088 0.000 1.402 223 I CB 1.158 39.099 38.000 -0.099 0.000 1.399 223 I HN 0.945 nan 8.210 nan 0.000 0.535 224 T N 1.923 116.383 114.554 -0.156 0.000 2.990 224 T HA 0.503 4.853 4.350 0.000 0.000 0.249 224 T C 0.462 175.146 174.700 -0.027 0.000 1.039 224 T CA 0.089 62.130 62.100 -0.100 0.000 1.036 224 T CB 0.466 69.206 68.868 -0.213 0.000 0.994 224 T HN 0.605 nan 8.240 nan 0.000 0.489 225 A N 1.086 123.872 122.820 -0.056 0.000 2.549 225 A HA 0.788 5.108 4.320 0.000 0.000 0.297 225 A C -0.887 176.620 177.584 -0.127 0.000 1.061 225 A CA -0.649 51.338 52.037 -0.084 0.000 0.690 225 A CB 1.886 20.836 19.000 -0.084 0.000 1.287 225 A HN 0.968 nan 8.150 nan 0.000 0.402 226 V N -1.585 118.170 119.914 -0.265 0.000 3.078 226 V HA 0.848 4.968 4.120 0.000 0.000 0.311 226 V C -1.609 174.312 176.094 -0.289 0.000 1.138 226 V CA -0.853 61.265 62.300 -0.304 0.000 1.007 226 V CB 2.367 33.878 31.823 -0.519 0.000 1.045 226 V HN 0.707 nan 8.190 nan 0.000 0.432 227 D N 2.910 123.201 120.400 -0.183 0.000 2.469 227 D HA 0.551 5.191 4.640 0.000 0.000 0.251 227 D C -0.660 175.587 176.300 -0.088 0.000 1.173 227 D CA -0.020 53.902 54.000 -0.131 0.000 0.882 227 D CB 1.967 42.691 40.800 -0.127 0.000 1.129 227 D HN 0.570 nan 8.370 nan 0.000 0.549 228 L N 1.131 122.334 121.223 -0.035 0.000 2.375 228 L HA 0.801 5.141 4.340 0.000 0.000 0.268 228 L C 1.302 178.197 176.870 0.042 0.000 1.058 228 L CA -0.331 54.535 54.840 0.043 0.000 0.803 228 L CB 1.741 43.906 42.059 0.177 0.000 1.212 228 L HN 0.571 nan 8.230 nan 0.000 0.451 229 G N 0.737 109.549 108.800 0.021 0.000 2.530 229 G HA2 0.345 4.306 3.960 0.000 0.000 0.081 229 G HA3 0.345 4.306 3.960 0.000 0.000 0.081 229 G C -0.870 173.978 174.900 -0.087 0.000 1.062 229 G CA 0.053 45.113 45.100 -0.066 0.000 1.108 229 G HN 0.920 nan 8.290 nan 0.000 0.466 230 G N -0.524 108.212 108.800 -0.107 0.000 2.667 230 G HA2 0.738 4.698 3.960 0.000 0.000 0.298 230 G HA3 0.738 4.698 3.960 0.000 0.000 0.298 230 G C -1.240 173.841 174.900 0.301 0.000 1.377 230 G CA -0.254 44.866 45.100 0.033 0.000 0.964 230 G HN 0.777 nan 8.290 nan 0.000 0.493 231 R N 1.563 122.327 120.500 0.440 0.000 2.510 231 R HA 0.463 4.804 4.340 0.000 0.000 0.287 231 R C -1.288 175.079 176.300 0.112 0.000 1.084 231 R CA -0.710 55.543 56.100 0.255 0.000 0.934 231 R CB 1.220 31.591 30.300 0.119 0.000 1.201 231 R HN 0.340 nan 8.270 nan 0.000 0.431 232 I N 3.236 123.791 120.570 -0.025 0.000 2.330 232 I HA 0.277 4.447 4.170 0.000 0.000 0.286 232 I C -0.304 175.745 176.117 -0.115 0.000 1.025 232 I CA -0.333 60.849 61.300 -0.196 0.000 1.197 232 I CB 1.185 38.970 38.000 -0.358 0.000 1.358 232 I HN 0.523 nan 8.210 nan 0.000 0.467 233 S N 5.796 121.441 115.700 -0.093 0.000 2.530 233 S HA 0.639 5.109 4.470 0.000 0.000 0.322 233 S C -0.571 173.993 174.600 -0.060 0.000 1.085 233 S CA -0.396 57.770 58.200 -0.057 0.000 1.096 233 S CB 1.135 64.324 63.200 -0.019 0.000 0.988 233 S HN 0.310 nan 8.310 nan 0.000 0.466 234 V N 6.165 126.057 119.914 -0.037 0.000 2.376 234 V HA 0.468 4.588 4.120 0.000 0.000 0.287 234 V C -0.555 175.588 176.094 0.082 0.000 1.015 234 V CA -0.725 61.584 62.300 0.015 0.000 0.834 234 V CB 1.234 33.088 31.823 0.052 0.000 1.001 234 V HN 0.751 nan 8.190 nan 0.000 0.428 235 L N 5.324 126.578 121.223 0.052 0.000 2.257 235 L HA 0.596 4.936 4.340 0.000 0.000 0.290 235 L C 0.382 177.357 176.870 0.174 0.000 1.044 235 L CA 0.691 55.591 54.840 0.100 0.000 0.810 235 L CB 1.464 43.547 42.059 0.040 0.000 1.193 235 L HN 0.693 nan 8.230 nan 0.000 0.425 236 T N 4.876 119.576 114.554 0.243 0.000 2.749 236 T HA 0.644 4.995 4.350 0.000 0.000 0.287 236 T C 0.038 174.940 174.700 0.338 0.000 0.970 236 T CA -0.381 61.872 62.100 0.254 0.000 0.980 236 T CB 1.165 70.108 68.868 0.125 0.000 0.924 236 T HN 0.737 nan 8.240 nan 0.000 0.456 237 A N 4.587 127.654 122.820 0.411 0.000 2.309 237 A HA 0.660 4.980 4.320 0.000 0.000 0.290 237 A C -0.253 177.473 177.584 0.237 0.000 1.206 237 A CA -0.566 51.606 52.037 0.227 0.000 0.850 237 A CB -0.113 18.908 19.000 0.035 0.000 1.118 237 A HN 0.864 nan 8.150 nan 0.000 0.523 238 L N 3.529 124.821 121.223 0.116 0.000 2.325 238 L HA 0.420 4.760 4.340 0.000 0.000 0.281 238 L C 0.260 177.084 176.870 -0.076 0.000 1.004 238 L CA -0.579 54.278 54.840 0.029 0.000 0.823 238 L CB 1.707 43.676 42.059 -0.149 0.000 1.236 238 L HN 0.717 nan 8.230 nan 0.000 0.415 239 R N 1.398 121.765 120.500 -0.222 0.000 2.387 239 R HA 0.008 4.348 4.340 0.000 0.000 0.321 239 R C 1.226 177.330 176.300 -0.327 0.000 1.174 239 R CA -0.142 55.655 56.100 -0.505 0.000 1.002 239 R CB 0.388 30.424 30.300 -0.440 0.000 1.028 239 R HN 0.638 nan 8.270 nan 0.000 0.482 240 T N 1.239 115.624 114.554 -0.283 0.000 2.721 240 T HA -0.219 4.132 4.350 0.000 0.000 0.268 240 T C 1.554 176.124 174.700 -0.216 0.000 1.038 240 T CA 1.670 63.646 62.100 -0.205 0.000 1.145 240 T CB 0.027 68.808 68.868 -0.145 0.000 0.858 240 T HN 0.723 nan 8.240 nan 0.000 0.459 241 c N 0.670 119.103 118.600 -0.278 0.000 2.485 241 c HA 0.162 4.733 4.570 0.000 0.000 0.277 241 c C 2.694 176.657 174.090 -0.212 0.000 1.376 241 c CA 0.346 56.505 56.329 -0.284 0.000 1.759 241 c CB -1.048 41.049 42.510 -0.688 0.000 1.970 241 c HN 0.687 nan 8.230 nan 0.000 0.509 242 Q N 0.430 119.942 119.800 -0.479 0.000 2.167 242 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 242 Q C 1.992 177.812 176.000 -0.301 0.000 0.970 242 Q CA 1.255 56.612 55.803 -0.744 0.000 0.855 242 Q CB -0.026 28.039 28.738 -1.122 0.000 0.911 242 Q HN 0.513 nan 8.270 nan 0.000 0.438 243 L N 0.226 121.322 121.223 -0.211 0.000 2.027 243 L HA -0.170 4.170 4.340 0.000 0.000 0.206 243 L C 2.694 179.519 176.870 -0.076 0.000 1.074 243 L CA 2.211 56.983 54.840 -0.114 0.000 0.745 243 L CB -0.972 41.002 42.059 -0.141 0.000 0.898 243 L HN 0.413 nan 8.230 nan 0.000 0.433 244 T N -3.040 111.463 114.554 -0.084 0.000 2.759 244 T HA -0.208 4.142 4.350 0.000 0.000 0.269 244 T C 1.955 176.649 174.700 -0.010 0.000 1.042 244 T CA 1.290 63.364 62.100 -0.043 0.000 1.140 244 T CB -0.695 68.142 68.868 -0.052 0.000 0.864 244 T HN 0.251 nan 8.240 nan 0.000 0.455 245 L N 1.058 122.273 121.223 -0.014 0.000 2.141 245 L HA 0.033 4.373 4.340 0.000 0.000 0.209 245 L C 2.188 179.076 176.870 0.030 0.000 1.094 245 L CA 1.007 55.859 54.840 0.020 0.000 0.763 245 L CB -0.489 41.594 42.059 0.040 0.000 0.908 245 L HN 0.326 nan 8.230 nan 0.000 0.437 246 N N 0.167 118.882 118.700 0.025 0.000 2.314 246 N HA 0.055 4.795 4.740 0.000 0.000 0.200 246 N C 1.197 176.802 175.510 0.159 0.000 1.135 246 N CA 0.870 53.966 53.050 0.076 0.000 0.835 246 N CB 0.813 39.333 38.487 0.056 0.000 0.989 246 N HN 0.377 nan 8.380 nan 0.000 0.478 247 G N 0.976 109.847 108.800 0.117 0.000 2.168 247 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 247 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 247 G C -0.093 174.903 174.900 0.161 0.000 0.997 247 G CA 0.259 45.457 45.100 0.163 0.000 0.708 247 G HN 0.283 nan 8.290 nan 0.000 0.520 248 L N 0.483 121.725 121.223 0.032 0.000 2.330 248 L HA 0.778 5.118 4.340 0.000 0.000 0.271 248 L C 0.964 177.800 176.870 -0.058 0.000 1.013 248 L CA -0.383 54.419 54.840 -0.062 0.000 0.816 248 L CB 2.121 44.100 42.059 -0.133 0.000 1.287 248 L HN 0.324 nan 8.230 nan 0.000 0.435 249 T N -1.560 112.952 114.554 -0.069 0.000 2.952 249 T HA 0.553 4.903 4.350 0.000 0.000 0.286 249 T C 0.906 175.542 174.700 -0.106 0.000 1.024 249 T CA -0.104 61.953 62.100 -0.071 0.000 1.029 249 T CB 1.814 70.655 68.868 -0.045 0.000 1.094 249 T HN 0.609 nan 8.240 nan 0.000 0.515 250 A N 1.085 123.849 122.820 -0.094 0.000 1.933 250 A HA 0.000 4.321 4.320 0.000 0.000 0.218 250 A C 2.065 179.591 177.584 -0.098 0.000 1.175 250 A CA 1.865 53.837 52.037 -0.108 0.000 0.628 250 A CB -1.255 17.707 19.000 -0.062 0.000 0.814 250 A HN 0.889 nan 8.150 nan 0.000 0.444 251 D N -1.011 119.351 120.400 -0.064 0.000 2.149 251 D HA -0.076 4.564 4.640 0.000 0.000 0.201 251 D C 1.972 178.214 176.300 -0.097 0.000 0.972 251 D CA 1.082 55.048 54.000 -0.057 0.000 0.835 251 D CB -0.269 40.517 40.800 -0.025 0.000 0.966 251 D HN 0.724 nan 8.370 nan 0.000 0.476 252 E N -0.063 120.069 120.200 -0.113 0.000 2.031 252 E HA -0.142 4.208 4.350 0.000 0.000 0.193 252 E C 2.487 178.930 176.600 -0.262 0.000 0.994 252 E CA 1.006 57.317 56.400 -0.149 0.000 0.800 252 E CB -0.059 29.573 29.700 -0.113 0.000 0.752 252 E HN 0.236 nan 8.360 nan 0.000 0.447 253 V N 0.633 120.384 119.914 -0.273 0.000 2.343 253 V HA -0.194 3.926 4.120 0.000 0.000 0.247 253 V C 2.331 178.215 176.094 -0.350 0.000 1.051 253 V CA 1.930 64.003 62.300 -0.378 0.000 1.036 253 V CB -0.949 30.641 31.823 -0.388 0.000 0.654 253 V HN 0.418 nan 8.190 nan 0.000 0.451 254 G N -0.207 108.456 108.800 -0.228 0.000 2.440 254 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 254 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 254 G C 1.222 176.050 174.900 -0.121 0.000 1.154 254 G CA 1.117 46.133 45.100 -0.140 0.000 0.767 254 G HN 0.505 nan 8.290 nan 0.000 0.552 255 D N -0.251 120.061 120.400 -0.145 0.000 2.178 255 D HA -0.052 4.588 4.640 0.000 0.000 0.202 255 D C 2.474 178.680 176.300 -0.157 0.000 0.974 255 D CA 0.548 54.477 54.000 -0.118 0.000 0.841 255 D CB -0.429 40.307 40.800 -0.107 0.000 0.953 255 D HN 0.288 nan 8.370 nan 0.000 0.478 256 C N 0.213 119.318 119.300 -0.325 0.000 2.440 256 C HA 0.018 4.478 4.460 0.000 0.000 0.278 256 C C 2.826 177.694 174.990 -0.203 0.000 1.295 256 C CA 0.048 58.792 59.018 -0.456 0.000 1.738 256 C CB -0.937 26.028 27.740 -1.291 0.000 1.987 256 C HN 0.350 nan 8.230 nan 0.000 0.492 257 L N 1.110 122.251 121.223 -0.138 0.000 2.056 257 L HA -0.149 4.191 4.340 0.000 0.000 0.207 257 L C 2.407 179.447 176.870 0.283 0.000 1.078 257 L CA 1.900 56.785 54.840 0.074 0.000 0.749 257 L CB -0.795 41.244 42.059 -0.033 0.000 0.901 257 L HN 0.432 nan 8.230 nan 0.000 0.433 258 N N -0.218 118.564 118.700 0.137 0.000 2.104 258 N HA -0.178 4.562 4.740 0.000 0.000 0.190 258 N C 1.661 177.218 175.510 0.078 0.000 1.024 258 N CA 1.373 54.481 53.050 0.097 0.000 0.853 258 N CB -0.014 38.491 38.487 0.031 0.000 1.008 258 N HN 0.029 nan 8.380 nan 0.000 0.424 259 V N 0.633 120.595 119.914 0.081 0.000 2.358 259 V HA -0.153 3.967 4.120 0.000 0.000 0.246 259 V C 2.071 178.273 176.094 0.180 0.000 1.047 259 V CA 1.738 64.105 62.300 0.113 0.000 1.035 259 V CB -0.596 31.300 31.823 0.121 0.000 0.658 259 V HN 0.384 nan 8.190 nan 0.000 0.452 260 E N 0.297 120.656 120.200 0.264 0.000 2.110 260 E HA -0.197 4.153 4.350 0.000 0.000 0.193 260 E C 2.312 179.039 176.600 0.211 0.000 0.988 260 E CA 1.308 57.922 56.400 0.357 0.000 0.804 260 E CB -0.308 29.721 29.700 0.548 0.000 0.745 260 E HN 0.604 nan 8.360 nan 0.000 0.458 261 A N 1.021 123.925 122.820 0.140 0.000 1.930 261 A HA -0.229 4.091 4.320 0.000 0.000 0.217 261 A C 2.015 179.479 177.584 -0.201 0.000 1.175 261 A CA 1.257 53.164 52.037 -0.216 0.000 0.627 261 A CB -0.341 18.445 19.000 -0.356 0.000 0.815 261 A HN 0.162 nan 8.150 nan 0.000 0.443 262 Q N -0.617 119.119 119.800 -0.107 0.000 2.167 262 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 262 Q C 2.071 177.991 176.000 -0.133 0.000 0.970 262 Q CA 1.403 57.129 55.803 -0.129 0.000 0.855 262 Q CB -0.203 28.493 28.738 -0.070 0.000 0.911 262 Q HN 0.509 nan 8.270 nan 0.000 0.438 263 V N -0.064 119.797 119.914 -0.089 0.000 2.323 263 V HA -0.222 3.898 4.120 0.000 0.000 0.244 263 V C 2.057 178.087 176.094 -0.107 0.000 1.041 263 V CA 1.868 64.096 62.300 -0.119 0.000 1.025 263 V CB -0.405 31.339 31.823 -0.132 0.000 0.656 263 V HN 0.275 nan 8.190 nan 0.000 0.451 264 S N 0.679 116.321 115.700 -0.096 0.000 2.399 264 S HA -0.136 4.334 4.470 0.000 0.000 0.231 264 S C 1.805 176.315 174.600 -0.151 0.000 1.022 264 S CA 1.962 60.100 58.200 -0.103 0.000 0.983 264 S CB -0.377 62.741 63.200 -0.136 0.000 0.803 264 S HN 0.783 nan 8.310 nan 0.000 0.480 265 I N -2.138 118.271 120.570 -0.269 0.000 3.603 265 I HA 0.458 4.628 4.170 0.000 0.000 0.297 265 I C 1.291 177.237 176.117 -0.285 0.000 1.269 265 I CA 0.515 61.546 61.300 -0.448 0.000 1.361 265 I CB -0.241 37.169 38.000 -0.984 0.000 1.063 265 I HN 0.247 nan 8.210 nan 0.000 0.448 266 G N 1.206 109.900 108.800 -0.177 0.000 2.132 266 G HA2 -0.286 3.674 3.960 0.000 0.000 0.234 266 G HA3 -0.286 3.674 3.960 0.000 0.000 0.234 266 G C 1.039 175.879 174.900 -0.100 0.000 0.989 266 G CA 0.344 45.382 45.100 -0.103 0.000 0.676 266 G HN 0.741 nan 8.290 nan 0.000 0.522 267 A N -1.798 120.938 122.820 -0.140 0.000 1.933 267 A HA 0.485 4.805 4.320 0.000 0.000 0.218 267 A C 1.469 179.011 177.584 -0.070 0.000 1.175 267 A CA 2.996 54.970 52.037 -0.105 0.000 0.628 267 A CB -0.238 18.685 19.000 -0.128 0.000 0.814 267 A HN 2.162 nan 8.150 nan 0.000 0.444 268 Q N -1.649 118.102 119.800 -0.083 0.000 2.345 268 Q HA 0.734 5.074 4.340 0.000 0.000 0.275 268 Q C -0.386 175.541 176.000 -0.121 0.000 1.063 268 Q CA -0.294 55.464 55.803 -0.075 0.000 0.819 268 Q CB 1.095 29.801 28.738 -0.053 0.000 1.356 268 Q HN 1.529 nan 8.270 nan 0.000 0.418 269 A N 0.458 123.210 122.820 -0.113 0.000 2.240 269 A HA 0.793 5.114 4.320 0.000 0.000 0.292 269 A C 1.714 179.140 177.584 -0.264 0.000 1.121 269 A CA 0.499 52.447 52.037 -0.148 0.000 0.851 269 A CB -0.231 18.721 19.000 -0.081 0.000 1.167 269 A HN 2.054 nan 8.150 nan 0.000 0.503 270 S N -1.785 113.746 115.700 -0.281 0.000 2.547 270 S HA 0.326 4.796 4.470 0.000 0.000 0.235 270 S C 0.723 175.304 174.600 -0.031 0.000 0.980 270 S CA 1.421 59.407 58.200 -0.356 0.000 0.941 270 S CB -1.097 62.021 63.200 -0.136 0.000 0.763 270 S HN 1.972 nan 8.310 nan 0.000 0.532 271 V N 1.904 121.810 119.914 -0.013 0.000 2.266 271 V HA 0.702 4.822 4.120 0.000 0.000 0.271 271 V C 0.053 176.176 176.094 0.049 0.000 1.032 271 V CA -0.149 62.183 62.300 0.054 0.000 0.806 271 V CB 0.475 32.319 31.823 0.036 0.000 1.052 271 V HN 0.493 nan 8.190 nan 0.000 0.449 272 S N 0.955 116.712 115.700 0.096 0.000 2.547 272 S HA 0.504 4.974 4.470 0.000 0.000 0.270 272 S C 0.882 175.544 174.600 0.103 0.000 1.150 272 S CA 0.209 58.458 58.200 0.081 0.000 0.850 272 S CB 1.250 64.487 63.200 0.062 0.000 1.118 272 S HN 1.823 nan 8.310 nan 0.000 0.461 273 S N 1.113 116.853 115.700 0.067 0.000 2.370 273 S HA -0.199 4.271 4.470 0.000 0.000 0.226 273 S C 1.289 175.923 174.600 0.057 0.000 1.033 273 S CA 1.728 59.960 58.200 0.054 0.000 1.011 273 S CB -0.819 62.402 63.200 0.035 0.000 0.852 273 S HN 0.759 nan 8.310 nan 0.000 0.457 274 E N 0.300 120.541 120.200 0.068 0.000 2.072 274 E HA 0.015 4.365 4.350 0.000 0.000 0.190 274 E C 1.791 178.448 176.600 0.095 0.000 0.982 274 E CA 1.091 57.529 56.400 0.062 0.000 0.803 274 E CB -0.505 29.228 29.700 0.055 0.000 0.755 274 E HN 0.733 nan 8.360 nan 0.000 0.453 275 Y N 1.044 121.353 120.300 0.014 0.000 2.373 275 Y HA -0.191 4.359 4.550 0.000 0.000 0.293 275 Y C 2.168 178.092 175.900 0.040 0.000 1.129 275 Y CA 1.204 59.322 58.100 0.030 0.000 1.226 275 Y CB 0.090 38.570 38.460 0.033 0.000 1.000 275 Y HN -0.187 nan 8.280 nan 0.000 0.549 276 K N -0.249 120.190 120.400 0.065 0.000 2.057 276 K HA -0.047 4.273 4.320 0.000 0.000 0.206 276 K C 2.417 178.996 176.600 -0.036 0.000 1.050 276 K CA 0.890 57.181 56.287 0.007 0.000 0.935 276 K CB -1.102 31.427 32.500 0.048 0.000 0.715 276 K HN 0.537 nan 8.250 nan 0.000 0.439 277 A N 0.079 122.887 122.820 -0.019 0.000 1.969 277 A HA -0.159 4.161 4.320 0.000 0.000 0.218 277 A C 2.477 180.043 177.584 -0.030 0.000 1.169 277 A CA 1.784 53.811 52.037 -0.016 0.000 0.635 277 A CB -1.019 17.975 19.000 -0.011 0.000 0.810 277 A HN 0.585 nan 8.150 nan 0.000 0.445 278 C N -0.633 118.616 119.300 -0.084 0.000 2.457 278 C HA -0.001 4.459 4.460 0.000 0.000 0.278 278 C C 2.546 177.520 174.990 -0.028 0.000 1.309 278 C CA 0.822 59.799 59.018 -0.069 0.000 1.735 278 C CB -0.878 26.776 27.740 -0.144 0.000 1.992 278 C HN 0.575 nan 8.230 nan 0.000 0.493 279 E N 1.095 121.181 120.200 -0.190 0.000 2.208 279 E HA -0.099 4.251 4.350 0.000 0.000 0.193 279 E C 2.196 178.775 176.600 -0.035 0.000 0.988 279 E CA 0.806 57.118 56.400 -0.147 0.000 0.828 279 E CB -0.277 29.296 29.700 -0.211 0.000 0.763 279 E HN 0.631 nan 8.360 nan 0.000 0.478 280 E N 0.736 120.930 120.200 -0.010 0.000 2.047 280 E HA -0.097 4.253 4.350 0.000 0.000 0.191 280 E C 2.032 178.675 176.600 0.073 0.000 0.987 280 E CA 0.905 57.319 56.400 0.024 0.000 0.799 280 E CB -0.135 29.578 29.700 0.022 0.000 0.752 280 E HN 0.319 nan 8.360 nan 0.000 0.449 281 K N -0.023 120.454 120.400 0.129 0.000 2.211 281 K HA -0.078 4.242 4.320 0.000 0.000 0.203 281 K C 2.641 179.382 176.600 0.235 0.000 1.050 281 K CA 1.420 57.859 56.287 0.253 0.000 0.945 281 K CB -0.231 32.444 32.500 0.291 0.000 0.732 281 K HN 0.224 nan 8.250 nan 0.000 0.451 282 K N 1.545 122.023 120.400 0.130 0.000 2.097 282 K HA -0.136 4.184 4.320 0.000 0.000 0.205 282 K C 2.241 178.831 176.600 -0.018 0.000 1.050 282 K CA 1.935 58.208 56.287 -0.023 0.000 0.938 282 K CB -0.910 31.567 32.500 -0.039 0.000 0.718 282 K HN 0.311 nan 8.250 nan 0.000 0.442 283 K N 0.587 120.993 120.400 0.010 0.000 2.098 283 K HA 0.027 4.347 4.320 0.000 0.000 0.203 283 K C 2.135 178.734 176.600 -0.002 0.000 1.051 283 K CA 1.294 57.578 56.287 -0.004 0.000 0.957 283 K CB -0.556 31.941 32.500 -0.006 0.000 0.738 283 K HN 0.646 nan 8.250 nan 0.000 0.447 284 Q N -0.485 119.329 119.800 0.023 0.000 2.135 284 Q HA -0.174 4.167 4.340 0.000 0.000 0.204 284 Q C 1.116 177.024 176.000 -0.154 0.000 0.981 284 Q CA 1.563 57.344 55.803 -0.036 0.000 0.856 284 Q CB -0.031 28.723 28.738 0.027 0.000 0.902 284 Q HN 0.842 nan 8.270 nan 0.000 0.425 285 H N -0.832 118.224 119.070 -0.023 0.000 2.520 285 H HA 0.120 4.676 4.556 0.000 0.000 0.284 285 H C 0.301 175.588 175.328 -0.069 0.000 1.037 285 H CA 0.664 56.689 56.048 -0.038 0.000 1.168 285 H CB 0.593 30.338 29.762 -0.028 0.000 1.497 285 H HN 0.187 nan 8.280 nan 0.000 0.547 286 K N 1.059 121.457 120.400 -0.004 0.000 3.278 286 K HA -0.223 4.097 4.320 0.000 0.000 0.270 286 K C 0.060 176.624 176.600 -0.060 0.000 0.955 286 K CA 1.217 57.483 56.287 -0.035 0.000 0.723 286 K CB -2.966 29.510 32.500 -0.039 0.000 1.382 286 K HN 0.389 nan 8.250 nan 0.000 0.461 287 M N 0.234 119.779 119.600 -0.091 0.000 2.144 287 M HA 0.483 4.963 4.480 0.000 0.000 0.356 287 M C 1.863 178.082 176.300 -0.134 0.000 1.217 287 M CA 0.370 55.575 55.300 -0.158 0.000 1.087 287 M CB 1.798 34.229 32.600 -0.282 0.000 1.609 287 M HN 0.522 nan 8.290 nan 0.000 0.467 288 A N 2.411 125.156 122.820 -0.126 0.000 1.898 288 A HA -0.009 4.311 4.320 0.000 0.000 0.216 288 A C 1.092 178.613 177.584 -0.105 0.000 1.181 288 A CA 1.725 53.704 52.037 -0.098 0.000 0.620 288 A CB -0.402 18.546 19.000 -0.086 0.000 0.819 288 A HN 0.801 nan 8.150 nan 0.000 0.442 289 T N -2.807 111.660 114.554 -0.145 0.000 2.883 289 T HA 0.543 4.894 4.350 0.000 0.000 0.284 289 T C 0.299 174.870 174.700 -0.215 0.000 1.041 289 T CA -0.030 61.979 62.100 -0.152 0.000 1.007 289 T CB 1.037 69.820 68.868 -0.142 0.000 1.220 289 T HN 0.620 nan 8.240 nan 0.000 0.552 290 S N -0.345 115.222 115.700 -0.222 0.000 2.587 290 S HA 0.195 4.666 4.470 0.000 0.000 0.260 290 S C 0.761 175.208 174.600 -0.256 0.000 1.353 290 S CA -0.595 57.472 58.200 -0.222 0.000 0.995 290 S CB -0.465 62.568 63.200 -0.279 0.000 0.912 290 S HN 0.519 nan 8.310 nan 0.000 0.568 291 F N 1.534 121.424 119.950 -0.101 0.000 2.161 291 F HA -0.144 4.383 4.527 0.000 0.000 0.300 291 F C 2.748 178.559 175.800 0.018 0.000 1.089 291 F CA 2.042 60.064 58.000 0.037 0.000 1.282 291 F CB -0.579 38.465 39.000 0.074 0.000 1.010 291 F HN 0.818 nan 8.300 nan 0.000 0.485 292 H N -0.682 118.436 119.070 0.080 0.000 2.462 292 H HA -0.030 4.526 4.556 0.000 0.000 0.292 292 H C 1.485 176.791 175.328 -0.036 0.000 1.049 292 H CA 1.244 57.215 56.048 -0.128 0.000 1.334 292 H CB -0.709 28.852 29.762 -0.335 0.000 1.404 292 H HN 0.367 nan 8.280 nan 0.000 0.544 293 Q N 0.546 120.186 119.800 -0.267 0.000 2.389 293 Q HA 0.013 4.354 4.340 0.000 0.000 0.204 293 Q C 1.549 177.447 176.000 -0.169 0.000 0.944 293 Q CA 1.282 56.987 55.803 -0.163 0.000 0.908 293 Q CB 0.481 29.088 28.738 -0.218 0.000 1.002 293 Q HN 0.466 nan 8.270 nan 0.000 0.493 294 T N -0.698 113.706 114.554 -0.249 0.000 2.953 294 T HA -0.007 4.343 4.350 0.000 0.000 0.247 294 T C -0.182 174.196 174.700 -0.538 0.000 1.029 294 T CA 0.681 62.508 62.100 -0.456 0.000 1.144 294 T CB 0.068 68.541 68.868 -0.659 0.000 0.870 294 T HN 0.132 nan 8.240 nan 0.000 0.446 295 Y N 1.769 122.044 120.300 -0.041 0.000 2.841 295 Y HA 0.457 5.007 4.550 0.000 0.000 0.329 295 Y C 1.067 176.973 175.900 0.011 0.000 1.062 295 Y CA -0.801 57.296 58.100 -0.005 0.000 1.281 295 Y CB 0.187 38.648 38.460 0.003 0.000 1.147 295 Y HN -0.069 nan 8.280 nan 0.000 0.521 296 R N 0.533 121.103 120.500 0.115 0.000 2.334 296 R HA 0.092 4.432 4.340 0.000 0.000 0.220 296 R C -0.235 176.165 176.300 0.167 0.000 0.917 296 R CA 0.026 56.197 56.100 0.117 0.000 1.073 296 R CB 0.254 30.600 30.300 0.077 0.000 1.056 296 R HN 0.591 nan 8.270 nan 0.000 0.506 297 E N 1.857 122.190 120.200 0.223 0.000 1.856 297 E HA 0.101 4.451 4.350 0.000 0.000 0.263 297 E C -0.437 176.401 176.600 0.397 0.000 1.137 297 E CA 0.072 56.655 56.400 0.304 0.000 1.007 297 E CB 0.387 30.267 29.700 0.300 0.000 1.117 297 E HN 0.055 nan 8.360 nan 0.000 0.438 298 R N 1.145 121.818 120.500 0.289 0.000 2.740 298 R HA 0.348 4.688 4.340 0.000 0.000 0.282 298 R C -0.536 175.644 176.300 -0.200 0.000 0.969 298 R CA -0.829 55.339 56.100 0.114 0.000 0.918 298 R CB 1.938 32.301 30.300 0.106 0.000 1.175 298 R HN 0.406 nan 8.270 nan 0.000 0.464 299 H N 2.324 120.991 119.070 -0.672 0.000 2.476 299 H HA 0.382 4.938 4.556 0.000 0.000 0.328 299 H C -1.338 173.790 175.328 -0.332 0.000 1.073 299 H CA -0.503 55.077 56.048 -0.780 0.000 1.229 299 H CB 1.372 30.356 29.762 -1.296 0.000 1.432 299 H HN 0.206 nan 8.280 nan 0.000 0.477 300 V N 5.791 125.286 119.914 -0.699 0.000 2.487 300 V HA 0.198 4.318 4.120 0.000 0.000 0.298 300 V C -0.035 175.809 176.094 -0.417 0.000 1.028 300 V CA -0.732 61.332 62.300 -0.394 0.000 0.860 300 V CB 1.678 33.370 31.823 -0.217 0.000 0.991 300 V HN 0.760 nan 8.190 nan 0.000 0.427 301 E N 3.861 123.928 120.200 -0.223 0.000 2.165 301 E HA 0.653 5.003 4.350 0.000 0.000 0.266 301 E C -1.881 174.659 176.600 -0.101 0.000 0.889 301 E CA -0.454 55.876 56.400 -0.117 0.000 0.756 301 E CB 2.135 31.828 29.700 -0.011 0.000 1.131 301 E HN 0.475 nan 8.360 nan 0.000 0.411 302 V N 6.394 126.259 119.914 -0.082 0.000 2.409 302 V HA 0.366 4.486 4.120 0.000 0.000 0.290 302 V C -0.431 175.686 176.094 0.039 0.000 1.017 302 V CA -0.630 61.622 62.300 -0.080 0.000 0.841 302 V CB 1.321 33.033 31.823 -0.184 0.000 1.003 302 V HN 0.667 nan 8.190 nan 0.000 0.426 303 L N 4.394 125.691 121.223 0.122 0.000 2.329 303 L HA 0.951 5.291 4.340 0.000 0.000 0.279 303 L C 0.645 177.682 176.870 0.279 0.000 1.014 303 L CA 0.019 54.958 54.840 0.164 0.000 0.814 303 L CB 1.803 43.935 42.059 0.121 0.000 1.257 303 L HN 0.912 nan 8.230 nan 0.000 0.424 304 G N 1.569 110.498 108.800 0.215 0.000 2.690 304 G HA2 0.393 4.353 3.960 0.000 0.000 0.686 304 G HA3 0.393 4.353 3.960 0.000 0.000 0.686 304 G C -0.117 174.931 174.900 0.246 0.000 1.277 304 G CA -0.328 44.872 45.100 0.166 0.000 0.799 304 G HN 1.384 nan 8.290 nan 0.000 0.613 305 G N 0.404 109.238 108.800 0.057 0.000 2.728 305 G HA2 0.335 4.295 3.960 0.000 0.000 0.294 305 G HA3 0.335 4.295 3.960 0.000 0.000 0.294 305 G C -2.335 172.638 174.900 0.123 0.000 1.342 305 G CA 0.281 45.424 45.100 0.072 0.000 0.866 305 G HN 1.517 nan 8.290 nan 0.000 0.534 306 P HA 0.539 nan 4.420 nan 0.000 0.279 306 P C 1.532 178.896 177.300 0.107 0.000 1.239 306 P CA 0.511 63.672 63.100 0.100 0.000 0.789 306 P CB 0.560 32.310 31.700 0.084 0.000 0.933 307 L N 1.614 122.892 121.223 0.091 0.000 2.191 307 L HA -0.136 4.205 4.340 0.000 0.000 0.212 307 L C 2.174 179.089 176.870 0.076 0.000 1.103 307 L CA 2.839 57.727 54.840 0.080 0.000 0.769 307 L CB -2.407 39.693 42.059 0.068 0.000 0.908 307 L HN 0.521 nan 8.230 nan 0.000 0.438 308 D N -0.800 119.645 120.400 0.075 0.000 2.144 308 D HA 0.220 4.860 4.640 0.000 0.000 0.199 308 D C 1.703 178.063 176.300 0.101 0.000 0.984 308 D CA 1.490 55.533 54.000 0.073 0.000 0.834 308 D CB -0.257 40.580 40.800 0.062 0.000 0.955 308 D HN 1.107 nan 8.370 nan 0.000 0.465 309 S N -0.712 115.064 115.700 0.128 0.000 2.256 309 S HA 0.584 5.054 4.470 0.000 0.000 0.210 309 S C 0.568 175.255 174.600 0.144 0.000 1.329 309 S CA 0.478 58.797 58.200 0.199 0.000 1.267 309 S CB -0.287 63.028 63.200 0.191 0.000 1.086 309 S HN 0.757 nan 8.310 nan 0.000 0.468 310 T N 1.663 116.290 114.554 0.123 0.000 2.801 310 T HA 0.671 5.021 4.350 0.000 0.000 0.306 310 T C -0.266 174.449 174.700 0.026 0.000 1.020 310 T CA -0.515 61.586 62.100 0.001 0.000 0.948 310 T CB -0.294 68.597 68.868 0.038 0.000 0.962 310 T HN 0.822 nan 8.240 nan 0.000 0.465 311 H N -0.114 118.904 119.070 -0.088 0.000 2.948 311 H HA 0.650 5.206 4.556 0.000 0.000 0.315 311 H C -1.377 173.859 175.328 -0.154 0.000 1.360 311 H CA -1.108 54.883 56.048 -0.095 0.000 1.125 311 H CB 0.542 30.271 29.762 -0.055 0.000 1.844 311 H HN 0.215 nan 8.280 nan 0.000 0.529 312 D N 0.614 121.020 120.400 0.010 0.000 2.412 312 D HA 0.018 4.658 4.640 0.000 0.000 0.257 312 D C 0.520 176.771 176.300 -0.082 0.000 1.217 312 D CA 0.206 54.157 54.000 -0.081 0.000 0.897 312 D CB 0.639 41.428 40.800 -0.018 0.000 1.132 312 D HN 0.592 nan 8.370 nan 0.000 0.493 313 L N 3.491 124.569 121.223 -0.242 0.000 2.616 313 L HA 0.099 4.439 4.340 0.000 0.000 0.229 313 L C 1.766 178.484 176.870 -0.254 0.000 1.110 313 L CA -0.018 54.697 54.840 -0.209 0.000 0.884 313 L CB 0.192 42.089 42.059 -0.270 0.000 1.115 313 L HN 0.388 nan 8.230 nan 0.000 0.481 314 L N -1.679 119.300 121.223 -0.407 0.000 2.349 314 L HA 0.122 4.462 4.340 0.000 0.000 0.200 314 L C 1.201 177.624 176.870 -0.745 0.000 1.064 314 L CA 0.875 55.299 54.840 -0.693 0.000 0.821 314 L CB 0.031 41.446 42.059 -1.074 0.000 1.027 314 L HN 0.100 nan 8.230 nan 0.000 0.476 315 F N 0.028 119.826 119.950 -0.254 0.000 2.735 315 F HA 0.361 4.888 4.527 0.000 0.000 0.308 315 F C 1.302 176.991 175.800 -0.185 0.000 1.112 315 F CA -0.733 57.019 58.000 -0.414 0.000 1.235 315 F CB 0.330 39.183 39.000 -0.245 0.000 1.027 315 F HN -0.068 nan 8.300 nan 0.000 0.528 316 G N 0.261 109.073 108.800 0.020 0.000 2.572 316 G HA2 0.041 4.002 3.960 0.000 0.000 0.261 316 G HA3 0.041 4.002 3.960 0.000 0.000 0.261 316 G C 0.313 175.270 174.900 0.096 0.000 1.197 316 G CA -0.355 44.790 45.100 0.076 0.000 0.870 316 G HN 0.249 nan 8.290 nan 0.000 0.548 317 N N -0.040 118.714 118.700 0.090 0.000 2.354 317 N HA 0.063 4.803 4.740 0.000 0.000 0.179 317 N C 2.316 177.863 175.510 0.062 0.000 1.021 317 N CA 1.136 54.240 53.050 0.090 0.000 0.887 317 N CB 0.175 38.702 38.487 0.066 0.000 0.974 317 N HN 0.617 nan 8.380 nan 0.000 0.437 318 Q N 0.289 120.109 119.800 0.034 0.000 2.282 318 Q HA 0.544 4.884 4.340 0.000 0.000 0.206 318 Q C 0.643 176.682 176.000 0.066 0.000 0.878 318 Q CA 0.219 56.038 55.803 0.027 0.000 0.944 318 Q CB -0.069 28.647 28.738 -0.036 0.000 1.100 318 Q HN 0.395 nan 8.270 nan 0.000 0.509 319 A N 2.244 125.106 122.820 0.070 0.000 2.541 319 A HA 0.491 4.811 4.320 0.000 0.000 0.293 319 A C 0.700 178.309 177.584 0.042 0.000 1.307 319 A CA 0.621 52.690 52.037 0.053 0.000 0.978 319 A CB -0.903 18.092 19.000 -0.009 0.000 1.111 319 A HN 0.666 nan 8.150 nan 0.000 0.535 320 T N 0.147 114.738 114.554 0.061 0.000 2.908 320 T HA 0.617 4.967 4.350 0.000 0.000 0.290 320 T C -2.355 172.387 174.700 0.070 0.000 1.034 320 T CA -1.988 60.145 62.100 0.054 0.000 1.010 320 T CB 1.876 70.779 68.868 0.059 0.000 1.068 320 T HN 0.119 nan 8.240 nan 0.000 0.481 321 P HA -0.023 nan 4.420 nan 0.000 0.223 321 P C 0.863 178.246 177.300 0.138 0.000 1.144 321 P CA 0.855 64.002 63.100 0.078 0.000 0.783 321 P CB 0.102 31.820 31.700 0.030 0.000 0.771 322 E N -0.684 119.580 120.200 0.105 0.000 2.046 322 E HA -0.152 4.198 4.350 0.000 0.000 0.190 322 E C 2.151 178.824 176.600 0.121 0.000 0.982 322 E CA 0.879 57.339 56.400 0.100 0.000 0.800 322 E CB -0.807 28.936 29.700 0.072 0.000 0.756 322 E HN 0.172 nan 8.360 nan 0.000 0.449 323 Q N -0.374 119.505 119.800 0.132 0.000 2.170 323 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 323 Q C 2.000 178.107 176.000 0.179 0.000 0.976 323 Q CA 0.931 56.822 55.803 0.147 0.000 0.858 323 Q CB -0.256 28.574 28.738 0.153 0.000 0.907 323 Q HN 0.321 nan 8.270 nan 0.000 0.433 324 F N 1.014 121.001 119.950 0.063 0.000 2.163 324 F HA -0.131 4.396 4.527 0.000 0.000 0.297 324 F C 2.271 178.177 175.800 0.177 0.000 1.094 324 F CA 1.252 59.315 58.000 0.105 0.000 1.290 324 F CB -0.132 38.893 39.000 0.042 0.000 1.017 324 F HN -0.076 nan 8.300 nan 0.000 0.483 325 S N -0.343 115.431 115.700 0.122 0.000 2.382 325 S HA -0.195 4.275 4.470 0.000 0.000 0.228 325 S C 1.943 176.522 174.600 -0.035 0.000 1.027 325 S CA 1.787 59.996 58.200 0.016 0.000 0.991 325 S CB -0.710 62.538 63.200 0.080 0.000 0.823 325 S HN 0.484 nan 8.310 nan 0.000 0.469 326 T N 0.585 115.156 114.554 0.028 0.000 2.708 326 T HA -0.158 4.193 4.350 0.000 0.000 0.266 326 T C 1.284 175.994 174.700 0.016 0.000 1.037 326 T CA 1.424 63.544 62.100 0.032 0.000 1.146 326 T CB -0.391 68.521 68.868 0.073 0.000 0.865 326 T HN 0.677 nan 8.240 nan 0.000 0.435 327 W N 1.741 122.936 121.300 -0.175 0.000 2.355 327 W HA -0.162 4.498 4.660 0.000 0.000 0.309 327 W C 2.453 178.814 176.519 -0.262 0.000 1.206 327 W CA 1.507 58.721 57.345 -0.219 0.000 1.284 327 W CB -0.968 28.324 29.460 -0.280 0.000 1.145 327 W HN 0.083 nan 8.180 nan 0.000 0.502 328 T N 0.560 114.821 114.554 -0.489 0.000 2.737 328 T HA -0.237 4.113 4.350 0.000 0.000 0.269 328 T C 1.834 176.283 174.700 -0.418 0.000 1.040 328 T CA 2.210 63.930 62.100 -0.633 0.000 1.142 328 T CB -0.697 67.848 68.868 -0.538 0.000 0.861 328 T HN 0.267 nan 8.240 nan 0.000 0.456 329 A N 0.931 123.599 122.820 -0.254 0.000 2.014 329 A HA -0.012 4.308 4.320 0.000 0.000 0.218 329 A C 2.487 179.982 177.584 -0.148 0.000 1.163 329 A CA 1.820 53.764 52.037 -0.154 0.000 0.652 329 A CB -0.537 18.415 19.000 -0.080 0.000 0.808 329 A HN 0.611 nan 8.150 nan 0.000 0.449 330 S N -0.150 115.435 115.700 -0.190 0.000 2.470 330 S HA 0.020 4.490 4.470 0.000 0.000 0.225 330 S C 1.810 176.305 174.600 -0.176 0.000 1.006 330 S CA 0.835 58.950 58.200 -0.141 0.000 0.934 330 S CB -0.667 62.473 63.200 -0.099 0.000 0.778 330 S HN 0.445 nan 8.310 nan 0.000 0.517 331 L N 1.486 122.509 121.223 -0.332 0.000 2.013 331 L HA -0.038 4.302 4.340 0.000 0.000 0.212 331 L C -0.574 176.240 176.870 -0.095 0.000 1.073 331 L CA 1.467 56.120 54.840 -0.311 0.000 0.753 331 L CB -1.973 39.768 42.059 -0.531 0.000 0.890 331 L HN 0.276 nan 8.230 nan 0.000 0.432 332 P HA -0.158 nan 4.420 nan 0.000 0.216 332 P C 1.772 179.224 177.300 0.254 0.000 1.150 332 P CA 1.908 65.074 63.100 0.109 0.000 0.837 332 P CB -0.009 31.718 31.700 0.045 0.000 0.786 333 S N -1.923 113.852 115.700 0.125 0.000 2.458 333 S HA 0.042 4.512 4.470 0.000 0.000 0.223 333 S C 0.798 175.467 174.600 0.116 0.000 1.019 333 S CA 0.215 58.485 58.200 0.118 0.000 0.937 333 S CB -0.943 62.300 63.200 0.073 0.000 0.788 333 S HN 0.120 nan 8.310 nan 0.000 0.511 334 N N 2.907 121.658 118.700 0.085 0.000 2.886 334 N HA 0.396 5.136 4.740 0.000 0.000 0.285 334 N C -3.087 172.473 175.510 0.084 0.000 1.706 334 N CA -1.341 51.766 53.050 0.095 0.000 0.904 334 N CB 1.514 40.042 38.487 0.070 0.000 1.224 334 N HN 0.377 nan 8.380 nan 0.000 0.488 335 P HA 0.260 nan 4.420 nan 0.000 0.282 335 P C 0.105 177.460 177.300 0.093 0.000 1.249 335 P CA -0.136 63.030 63.100 0.110 0.000 0.806 335 P CB 1.437 33.282 31.700 0.241 0.000 0.984 336 G N 1.662 110.501 108.800 0.065 0.000 2.489 336 G HA2 0.462 4.422 3.960 0.000 0.000 0.327 336 G HA3 0.462 4.422 3.960 0.000 0.000 0.327 336 G C -1.104 173.813 174.900 0.028 0.000 1.189 336 G CA -0.750 44.387 45.100 0.062 0.000 0.962 336 G HN 0.488 nan 8.290 nan 0.000 0.486 337 L N 2.438 123.664 121.223 0.005 0.000 2.515 337 L HA 0.220 4.560 4.340 0.000 0.000 0.281 337 L C 1.142 178.053 176.870 0.069 0.000 1.131 337 L CA 0.219 55.060 54.840 0.002 0.000 0.905 337 L CB 0.534 42.562 42.059 -0.052 0.000 1.246 337 L HN 0.241 nan 8.230 nan 0.000 0.463 338 V N 3.306 123.247 119.914 0.046 0.000 2.256 338 V HA -0.015 4.105 4.120 0.000 0.000 0.240 338 V C 0.378 176.483 176.094 0.020 0.000 1.036 338 V CA 1.609 63.928 62.300 0.032 0.000 1.008 338 V CB -0.418 31.400 31.823 -0.008 0.000 0.648 338 V HN 0.984 nan 8.190 nan 0.000 0.453 339 D N -1.752 118.633 120.400 -0.025 0.000 2.596 339 D HA 0.574 5.214 4.640 0.000 0.000 0.234 339 D C -0.967 175.260 176.300 -0.121 0.000 1.181 339 D CA -0.694 53.192 54.000 -0.190 0.000 0.856 339 D CB 1.753 42.412 40.800 -0.235 0.000 1.498 339 D HN 0.345 nan 8.370 nan 0.000 0.446 340 Y N -2.334 117.896 120.300 -0.117 0.000 2.705 340 Y HA 0.759 5.309 4.550 0.000 0.000 0.332 340 Y C -1.392 174.440 175.900 -0.113 0.000 1.221 340 Y CA -1.358 56.662 58.100 -0.133 0.000 1.059 340 Y CB 1.306 39.682 38.460 -0.140 0.000 1.298 340 Y HN 0.346 nan 8.280 nan 0.000 0.459 341 S N 1.763 117.505 115.700 0.070 0.000 2.478 341 S HA 0.685 5.155 4.470 0.000 0.000 0.312 341 S C -1.012 173.603 174.600 0.024 0.000 1.094 341 S CA -0.721 57.484 58.200 0.008 0.000 1.081 341 S CB 0.762 63.933 63.200 -0.049 0.000 1.007 341 S HN 0.545 nan 8.310 nan 0.000 0.475 342 L N 2.876 124.124 121.223 0.042 0.000 2.317 342 L HA 0.581 4.921 4.340 0.000 0.000 0.281 342 L C 0.148 177.050 176.870 0.052 0.000 1.024 342 L CA -0.412 54.435 54.840 0.010 0.000 0.810 342 L CB 1.455 43.494 42.059 -0.033 0.000 1.240 342 L HN 0.551 nan 8.230 nan 0.000 0.427 343 E N 3.388 123.517 120.200 -0.118 0.000 2.248 343 E HA 0.392 4.742 4.350 0.000 0.000 0.267 343 E C -2.501 174.050 176.600 -0.081 0.000 0.877 343 E CA -2.023 54.287 56.400 -0.149 0.000 0.759 343 E CB 2.652 32.069 29.700 -0.473 0.000 1.182 343 E HN 0.257 nan 8.360 nan 0.000 0.418 344 P HA 0.004 nan 4.420 nan 0.000 0.269 344 P C 0.789 178.059 177.300 -0.050 0.000 1.209 344 P CA 0.014 62.915 63.100 -0.332 0.000 0.776 344 P CB 0.712 32.243 31.700 -0.281 0.000 0.876 345 L N 1.996 123.250 121.223 0.052 0.000 2.081 345 L HA -0.250 4.090 4.340 0.000 0.000 0.212 345 L C 2.532 179.475 176.870 0.121 0.000 1.080 345 L CA 1.742 56.666 54.840 0.141 0.000 0.754 345 L CB -0.932 41.222 42.059 0.160 0.000 0.893 345 L HN 0.682 nan 8.230 nan 0.000 0.433 346 H N -1.801 117.334 119.070 0.109 0.000 2.457 346 H HA -0.135 4.421 4.556 0.000 0.000 0.297 346 H C 1.719 177.108 175.328 0.101 0.000 1.092 346 H CA 1.570 57.672 56.048 0.089 0.000 1.309 346 H CB -0.954 28.835 29.762 0.044 0.000 1.382 346 H HN 0.219 nan 8.280 nan 0.000 0.535 347 T N 1.739 116.124 114.554 -0.281 0.000 2.897 347 T HA -0.035 4.315 4.350 0.000 0.000 0.271 347 T C 2.284 177.018 174.700 0.056 0.000 1.084 347 T CA 0.977 63.024 62.100 -0.088 0.000 1.123 347 T CB -0.141 68.678 68.868 -0.082 0.000 0.865 347 T HN 0.287 nan 8.240 nan 0.000 0.496 348 L N -0.295 120.961 121.223 0.054 0.000 2.179 348 L HA 0.131 4.471 4.340 0.000 0.000 0.208 348 L C 0.447 177.357 176.870 0.067 0.000 1.096 348 L CA 0.233 55.088 54.840 0.025 0.000 0.779 348 L CB -0.307 41.722 42.059 -0.050 0.000 0.922 348 L HN 0.181 nan 8.230 nan 0.000 0.443 349 L N -0.056 121.219 121.223 0.087 0.000 2.417 349 L HA 0.032 4.372 4.340 0.000 0.000 0.268 349 L C 0.652 177.561 176.870 0.065 0.000 1.158 349 L CA 0.495 55.375 54.840 0.067 0.000 0.819 349 L CB 0.752 42.855 42.059 0.075 0.000 1.112 349 L HN -0.143 nan 8.230 nan 0.000 0.458 350 E N 1.054 121.281 120.200 0.046 0.000 2.383 350 E HA 0.003 4.353 4.350 0.000 0.000 0.264 350 E C 0.936 177.566 176.600 0.050 0.000 1.050 350 E CA -0.389 56.038 56.400 0.044 0.000 0.896 350 E CB 0.937 30.655 29.700 0.031 0.000 0.982 350 E HN 0.567 nan 8.360 nan 0.000 0.424 351 E N 1.293 121.523 120.200 0.049 0.000 2.160 351 E HA -0.266 4.085 4.350 0.000 0.000 0.195 351 E C 2.536 179.158 176.600 0.037 0.000 0.991 351 E CA 1.706 58.135 56.400 0.048 0.000 0.810 351 E CB -0.234 29.492 29.700 0.044 0.000 0.742 351 E HN 0.668 nan 8.360 nan 0.000 0.466 352 Q N 1.361 121.180 119.800 0.030 0.000 2.167 352 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 352 Q C 1.368 177.382 176.000 0.023 0.000 0.970 352 Q CA 1.033 56.850 55.803 0.024 0.000 0.855 352 Q CB -0.795 27.955 28.738 0.020 0.000 0.911 352 Q HN 0.092 nan 8.270 nan 0.000 0.438 353 N N 1.310 120.025 118.700 0.026 0.000 2.452 353 N HA 0.028 4.768 4.740 0.000 0.000 0.266 353 N C -1.830 173.699 175.510 0.032 0.000 1.209 353 N CA -1.565 51.500 53.050 0.025 0.000 0.929 353 N CB 1.639 40.140 38.487 0.023 0.000 1.063 353 N HN 0.175 nan 8.380 nan 0.000 0.472 354 P HA -0.009 nan 4.420 nan 0.000 0.236 354 P C 0.601 177.930 177.300 0.048 0.000 1.177 354 P CA 0.815 63.936 63.100 0.034 0.000 0.773 354 P CB 0.445 32.164 31.700 0.031 0.000 0.878 355 K N 0.036 120.474 120.400 0.063 0.000 2.365 355 K HA -0.069 4.252 4.320 0.000 0.000 0.199 355 K C 2.332 178.992 176.600 0.100 0.000 1.045 355 K CA 0.401 56.753 56.287 0.108 0.000 0.962 355 K CB -0.085 32.476 32.500 0.102 0.000 0.759 355 K HN 0.004 nan 8.250 nan 0.000 0.469 356 R N 1.475 122.016 120.500 0.069 0.000 2.070 356 R HA -0.201 4.139 4.340 0.000 0.000 0.232 356 R C 2.091 178.390 176.300 -0.002 0.000 1.138 356 R CA 1.965 58.114 56.100 0.081 0.000 0.936 356 R CB -0.149 30.209 30.300 0.097 0.000 0.839 356 R HN -0.037 nan 8.270 nan 0.000 0.429 357 E N 0.414 120.596 120.200 -0.030 0.000 2.118 357 E HA -0.147 4.204 4.350 0.000 0.000 0.195 357 E C 1.649 178.172 176.600 -0.129 0.000 0.992 357 E CA 1.760 58.106 56.400 -0.090 0.000 0.804 357 E CB -0.279 29.394 29.700 -0.044 0.000 0.741 357 E HN 0.489 nan 8.360 nan 0.000 0.458 358 A N 0.237 123.000 122.820 -0.095 0.000 1.873 358 A HA -0.106 4.214 4.320 0.000 0.000 0.215 358 A C 2.178 179.496 177.584 -0.444 0.000 1.186 358 A CA 1.457 53.373 52.037 -0.201 0.000 0.616 358 A CB -0.771 18.177 19.000 -0.087 0.000 0.823 358 A HN 0.376 nan 8.150 nan 0.000 0.442 359 L N -0.073 121.033 121.223 -0.194 0.000 2.093 359 L HA -0.072 4.268 4.340 0.000 0.000 0.208 359 L C 2.442 179.202 176.870 -0.183 0.000 1.085 359 L CA 2.161 56.949 54.840 -0.087 0.000 0.755 359 L CB -0.668 41.496 42.059 0.175 0.000 0.904 359 L HN 0.483 nan 8.230 nan 0.000 0.435 360 R N -0.840 119.492 120.500 -0.281 0.000 2.083 360 R HA -0.212 4.128 4.340 0.000 0.000 0.237 360 R C 2.222 178.330 176.300 -0.319 0.000 1.137 360 R CA 2.085 57.879 56.100 -0.510 0.000 0.951 360 R CB -0.230 29.601 30.300 -0.781 0.000 0.851 360 R HN 0.549 nan 8.270 nan 0.000 0.434 361 Q N -0.617 118.984 119.800 -0.332 0.000 2.119 361 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 361 Q C 2.106 177.763 176.000 -0.572 0.000 0.972 361 Q CA 1.345 56.959 55.803 -0.315 0.000 0.847 361 Q CB 0.004 28.616 28.738 -0.210 0.000 0.903 361 Q HN 0.441 nan 8.270 nan 0.000 0.433 362 A N 0.954 123.202 122.820 -0.952 0.000 1.855 362 A HA -0.172 4.149 4.320 0.000 0.000 0.215 362 A C 2.024 179.436 177.584 -0.287 0.000 1.191 362 A CA 1.111 52.462 52.037 -1.144 0.000 0.613 362 A CB -0.622 17.826 19.000 -0.920 0.000 0.829 362 A HN 0.277 nan 8.150 nan 0.000 0.442 363 I N -0.064 120.428 120.570 -0.131 0.000 2.163 363 I HA -0.264 3.906 4.170 0.000 0.000 0.243 363 I C 2.756 178.943 176.117 0.117 0.000 1.085 363 I CA 1.553 62.879 61.300 0.043 0.000 1.347 363 I CB -0.325 37.708 38.000 0.054 0.000 1.044 363 I HN 0.234 nan 8.210 nan 0.000 0.408 364 S N -0.594 115.132 115.700 0.044 0.000 2.365 364 S HA -0.294 4.176 4.470 0.000 0.000 0.225 364 S C 2.063 176.740 174.600 0.130 0.000 1.039 364 S CA 1.577 59.828 58.200 0.085 0.000 1.033 364 S CB -0.609 62.605 63.200 0.025 0.000 0.887 364 S HN 0.527 nan 8.310 nan 0.000 0.447 365 H N -0.508 118.581 119.070 0.032 0.000 2.357 365 H HA -0.119 4.437 4.556 0.000 0.000 0.301 365 H C 2.163 177.606 175.328 0.192 0.000 1.082 365 H CA 1.786 57.906 56.048 0.120 0.000 1.342 365 H CB -0.428 29.443 29.762 0.181 0.000 1.389 365 H HN 0.526 nan 8.280 nan 0.000 0.511 366 Y N 1.158 121.498 120.300 0.067 0.000 2.097 366 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 366 Y C 2.711 178.645 175.900 0.058 0.000 1.152 366 Y CA 2.005 60.158 58.100 0.088 0.000 1.136 366 Y CB -0.528 38.020 38.460 0.146 0.000 0.975 366 Y HN 0.110 nan 8.280 nan 0.000 0.498 367 I N -0.496 120.235 120.570 0.269 0.000 2.127 367 I HA -0.377 3.794 4.170 0.000 0.000 0.241 367 I C 2.329 178.508 176.117 0.104 0.000 1.075 367 I CA 1.418 62.845 61.300 0.212 0.000 1.334 367 I CB -0.375 37.808 38.000 0.306 0.000 1.040 367 I HN 0.329 nan 8.210 nan 0.000 0.405 368 M N 0.267 119.914 119.600 0.078 0.000 2.175 368 M HA -0.140 4.340 4.480 0.000 0.000 0.264 368 M C 2.674 178.994 176.300 0.033 0.000 1.063 368 M CA 1.918 57.251 55.300 0.055 0.000 1.119 368 M CB -1.279 31.345 32.600 0.040 0.000 1.377 368 M HN 0.398 nan 8.290 nan 0.000 0.415 369 S N -0.020 115.620 115.700 -0.100 0.000 2.423 369 S HA -0.083 4.387 4.470 0.000 0.000 0.231 369 S C 1.904 176.517 174.600 0.020 0.000 1.014 369 S CA 0.705 58.856 58.200 -0.080 0.000 0.965 369 S CB -0.376 62.666 63.200 -0.262 0.000 0.785 369 S HN 0.485 nan 8.310 nan 0.000 0.495 370 R N 1.348 121.835 120.500 -0.021 0.000 2.313 370 R HA 0.399 4.739 4.340 0.000 0.000 0.199 370 R C 0.903 177.327 176.300 0.207 0.000 0.958 370 R CA 0.329 56.472 56.100 0.071 0.000 1.047 370 R CB -0.251 30.016 30.300 -0.056 0.000 0.955 370 R HN 0.524 nan 8.270 nan 0.000 0.481 371 A N 1.704 124.660 122.820 0.227 0.000 2.507 371 A HA 0.096 4.416 4.320 0.000 0.000 0.235 371 A C -0.095 177.615 177.584 0.210 0.000 1.070 371 A CA 0.299 52.504 52.037 0.279 0.000 0.768 371 A CB 0.259 19.508 19.000 0.415 0.000 1.011 371 A HN 0.264 nan 8.150 nan 0.000 0.502 372 R N 0.898 121.457 120.500 0.098 0.000 2.371 372 R HA 0.389 4.729 4.340 0.000 0.000 0.312 372 R C -1.098 175.249 176.300 0.079 0.000 0.980 372 R CA -0.176 55.859 56.100 -0.108 0.000 0.867 372 R CB 1.163 31.338 30.300 -0.209 0.000 1.163 372 R HN 0.882 nan 8.270 nan 0.000 0.492 373 W N 1.260 122.556 121.300 -0.007 0.000 3.075 373 W HA 0.447 5.107 4.660 0.000 0.000 0.334 373 W C -0.655 175.873 176.519 0.014 0.000 1.288 373 W CA -1.212 56.137 57.345 0.007 0.000 1.095 373 W CB 0.525 29.994 29.460 0.015 0.000 1.564 373 W HN 0.222 nan 8.180 nan 0.000 0.629 374 Q N 1.423 121.398 119.800 0.291 0.000 2.331 374 Q HA 0.348 4.688 4.340 0.000 0.000 0.257 374 Q C -0.413 175.728 176.000 0.235 0.000 0.957 374 Q CA -0.163 55.739 55.803 0.165 0.000 0.923 374 Q CB 0.479 29.300 28.738 0.138 0.000 1.212 374 Q HN 0.685 nan 8.270 nan 0.000 0.443 375 N N 3.251 122.025 118.700 0.124 0.000 2.437 375 N HA 0.149 4.889 4.740 0.000 0.000 0.243 375 N C 0.358 175.930 175.510 0.103 0.000 1.041 375 N CA -0.607 52.532 53.050 0.148 0.000 0.940 375 N CB 0.349 38.883 38.487 0.077 0.000 1.133 375 N HN 0.782 nan 8.380 nan 0.000 0.506 376 c N 0.493 119.159 118.600 0.110 0.000 2.491 376 c HA -0.047 4.523 4.570 0.000 0.000 0.277 376 c C 2.741 176.871 174.090 0.068 0.000 1.455 376 c CA 1.081 57.459 56.329 0.081 0.000 1.758 376 c CB -1.588 40.969 42.510 0.078 0.000 1.745 376 c HN 0.945 nan 8.230 nan 0.000 0.558 377 S N 0.489 116.232 115.700 0.071 0.000 2.436 377 S HA 0.009 4.479 4.470 0.000 0.000 0.228 377 S C 0.819 175.449 174.600 0.049 0.000 1.014 377 S CA 0.265 58.500 58.200 0.059 0.000 0.950 377 S CB -0.196 63.043 63.200 0.064 0.000 0.784 377 S HN 0.647 nan 8.310 nan 0.000 0.504 378 R N 2.851 123.381 120.500 0.049 0.000 2.643 378 R HA 0.301 4.641 4.340 0.000 0.000 0.270 378 R C -2.384 173.940 176.300 0.040 0.000 1.061 378 R CA -1.473 54.651 56.100 0.040 0.000 1.107 378 R CB -0.113 30.208 30.300 0.035 0.000 0.999 378 R HN 0.334 nan 8.270 nan 0.000 0.460 379 P HA 0.070 nan 4.420 nan 0.000 0.274 379 P C -0.180 177.138 177.300 0.030 0.000 1.237 379 P CA -0.449 62.671 63.100 0.034 0.000 0.793 379 P CB 0.604 32.322 31.700 0.029 0.000 0.977 380 c N 1.229 119.845 118.600 0.026 0.000 2.705 380 c HA 0.186 4.756 4.570 0.000 0.000 0.365 380 c C 1.549 175.639 174.090 -0.000 0.000 1.353 380 c CA -0.343 55.994 56.329 0.014 0.000 2.339 380 c CB -0.841 41.670 42.510 0.001 0.000 2.576 380 c HN 0.619 nan 8.230 nan 0.000 0.716 381 R N 1.268 121.763 120.500 -0.008 0.000 2.570 381 R HA 0.110 4.450 4.340 0.000 0.000 0.277 381 R C 0.432 176.703 176.300 -0.049 0.000 1.039 381 R CA 0.241 56.325 56.100 -0.026 0.000 1.065 381 R CB 0.471 30.766 30.300 -0.009 0.000 0.964 381 R HN 0.958 nan 8.270 nan 0.000 0.428 382 S N 2.848 118.503 115.700 -0.075 0.000 2.737 382 S HA 0.124 4.594 4.470 0.000 0.000 0.315 382 S C 0.979 175.520 174.600 -0.097 0.000 1.236 382 S CA 0.165 58.314 58.200 -0.085 0.000 1.093 382 S CB 0.574 63.705 63.200 -0.115 0.000 0.832 382 S HN 1.016 nan 8.310 nan 0.000 0.507 383 G N 2.147 110.910 108.800 -0.062 0.000 2.154 383 G HA2 -0.145 3.815 3.960 0.000 0.000 0.186 383 G HA3 -0.145 3.815 3.960 0.000 0.000 0.186 383 G C -0.310 174.545 174.900 -0.075 0.000 1.000 383 G CA -0.042 45.026 45.100 -0.054 0.000 0.664 383 G HN 0.837 nan 8.290 nan 0.000 0.513 384 Q N -0.861 118.880 119.800 -0.099 0.000 2.544 384 Q HA 0.709 5.049 4.340 0.000 0.000 0.291 384 Q C -0.673 175.218 176.000 -0.181 0.000 1.068 384 Q CA -0.995 54.662 55.803 -0.244 0.000 0.785 384 Q CB 1.808 30.454 28.738 -0.152 0.000 1.481 384 Q HN 0.727 nan 8.270 nan 0.000 0.430 385 H N -1.921 117.153 119.070 0.008 0.000 2.974 385 H HA 0.440 4.996 4.556 0.000 0.000 0.366 385 H C -1.549 173.790 175.328 0.018 0.000 1.155 385 H CA -1.155 54.898 56.048 0.008 0.000 1.186 385 H CB 0.818 30.581 29.762 0.001 0.000 1.799 385 H HN 0.231 nan 8.280 nan 0.000 0.541 386 K N 1.752 122.239 120.400 0.145 0.000 2.416 386 K HA 0.417 4.737 4.320 0.000 0.000 0.283 386 K C 0.496 177.169 176.600 0.123 0.000 1.037 386 K CA 0.417 56.766 56.287 0.103 0.000 0.995 386 K CB 0.386 32.929 32.500 0.072 0.000 0.938 386 K HN 0.843 nan 8.250 nan 0.000 0.475 387 S N 1.013 116.786 115.700 0.122 0.000 2.585 387 S HA 0.026 4.496 4.470 0.000 0.000 0.273 387 S C 1.333 175.970 174.600 0.062 0.000 1.339 387 S CA -0.083 58.197 58.200 0.133 0.000 1.028 387 S CB 0.472 63.793 63.200 0.201 0.000 0.906 387 S HN 0.652 nan 8.310 nan 0.000 0.528 388 S N 1.068 116.745 115.700 -0.039 0.000 2.419 388 S HA -0.147 4.323 4.470 0.000 0.000 0.233 388 S C 1.406 175.897 174.600 -0.181 0.000 1.016 388 S CA 1.474 59.583 58.200 -0.153 0.000 0.974 388 S CB -0.683 62.365 63.200 -0.254 0.000 0.786 388 S HN 0.794 nan 8.310 nan 0.000 0.492 389 H N 1.802 120.887 119.070 0.025 0.000 2.299 389 H HA 0.171 4.727 4.556 0.000 0.000 0.302 389 H C 0.997 176.338 175.328 0.023 0.000 1.078 389 H CA 1.426 57.487 56.048 0.022 0.000 1.323 389 H CB -0.777 28.997 29.762 0.021 0.000 1.381 389 H HN 0.734 nan 8.280 nan 0.000 0.498 390 D N -0.583 119.910 120.400 0.154 0.000 2.780 390 D HA 0.535 5.175 4.640 0.000 0.000 0.242 390 D C 0.882 177.226 176.300 0.074 0.000 1.135 390 D CA 0.154 54.211 54.000 0.094 0.000 0.859 390 D CB 1.006 41.857 40.800 0.085 0.000 1.530 390 D HN 0.330 nan 8.370 nan 0.000 0.493 391 S N -0.790 114.945 115.700 0.059 0.000 2.481 391 S HA 0.098 4.568 4.470 0.000 0.000 0.231 391 S C 1.821 176.455 174.600 0.057 0.000 0.996 391 S CA 1.671 59.904 58.200 0.054 0.000 0.942 391 S CB -0.313 62.916 63.200 0.048 0.000 0.768 391 S HN 0.742 nan 8.310 nan 0.000 0.520 392 c N 0.896 119.532 118.600 0.059 0.000 2.791 392 c HA 0.545 5.115 4.570 0.000 0.000 0.270 392 c C 1.290 175.412 174.090 0.053 0.000 1.257 392 c CA 0.021 56.384 56.329 0.058 0.000 1.699 392 c CB -1.369 41.176 42.510 0.059 0.000 1.904 392 c HN 0.763 nan 8.230 nan 0.000 0.603 393 Q N -0.283 119.551 119.800 0.056 0.000 2.347 393 Q HA 0.542 4.882 4.340 0.000 0.000 0.262 393 Q C -0.782 175.247 176.000 0.049 0.000 0.980 393 Q CA -0.160 55.674 55.803 0.052 0.000 0.867 393 Q CB 0.434 29.210 28.738 0.062 0.000 1.242 393 Q HN 0.628 nan 8.270 nan 0.000 0.453 394 c N 2.362 120.978 118.600 0.027 0.000 2.330 394 c HA 0.887 5.458 4.570 0.000 0.000 0.344 394 c C 0.867 174.940 174.090 -0.028 0.000 1.273 394 c CA 0.076 56.405 56.329 -0.000 0.000 1.879 394 c CB 0.332 42.836 42.510 -0.010 0.000 2.376 394 c HN 1.014 nan 8.230 nan 0.000 0.534 395 E N 1.030 121.184 120.200 -0.076 0.000 2.202 395 E HA 0.545 4.895 4.350 0.000 0.000 0.272 395 E C -0.463 175.958 176.600 -0.298 0.000 0.951 395 E CA -0.468 55.870 56.400 -0.103 0.000 0.813 395 E CB 0.841 30.564 29.700 0.038 0.000 1.151 395 E HN 0.884 nan 8.360 nan 0.000 0.398 396 c N 1.940 120.445 118.600 -0.159 0.000 2.652 396 c HA 0.234 4.804 4.570 0.000 0.000 0.412 396 c C 2.265 176.282 174.090 -0.122 0.000 1.294 396 c CA 0.234 56.477 56.329 -0.143 0.000 2.127 396 c CB 0.540 43.024 42.510 -0.043 0.000 2.691 396 c HN 1.044 nan 8.230 nan 0.000 0.615 397 Q N 1.410 121.171 119.800 -0.064 0.000 2.123 397 Q HA 0.071 4.411 4.340 0.000 0.000 0.199 397 Q C 0.496 176.546 176.000 0.083 0.000 0.966 397 Q CA 1.836 57.719 55.803 0.133 0.000 0.845 397 Q CB -0.045 28.771 28.738 0.131 0.000 0.907 397 Q HN 0.838 nan 8.270 nan 0.000 0.439 398 D N 0.266 120.691 120.400 0.042 0.000 2.400 398 D HA 0.553 5.193 4.640 0.000 0.000 0.272 398 D C 0.848 177.172 176.300 0.041 0.000 1.220 398 D CA 0.233 54.256 54.000 0.039 0.000 0.897 398 D CB 0.474 41.297 40.800 0.039 0.000 1.134 398 D HN 0.417 nan 8.370 nan 0.000 0.507 399 S N -0.283 115.441 115.700 0.041 0.000 2.419 399 S HA -0.135 4.335 4.470 0.000 0.000 0.235 399 S C 2.212 176.832 174.600 0.034 0.000 1.019 399 S CA 1.789 60.009 58.200 0.034 0.000 0.982 399 S CB -0.100 63.121 63.200 0.035 0.000 0.789 399 S HN 0.352 nan 8.310 nan 0.000 0.490 400 K N 0.325 120.750 120.400 0.041 0.000 1.991 400 K HA 0.013 4.333 4.320 0.000 0.000 0.207 400 K C 2.461 179.087 176.600 0.044 0.000 1.045 400 K CA 1.361 57.673 56.287 0.043 0.000 0.937 400 K CB -1.183 31.347 32.500 0.051 0.000 0.720 400 K HN 0.724 nan 8.250 nan 0.000 0.438 401 V N 0.223 120.169 119.914 0.054 0.000 2.488 401 V HA 0.002 4.122 4.120 0.000 0.000 0.246 401 V C 1.464 177.586 176.094 0.047 0.000 1.046 401 V CA 1.272 63.606 62.300 0.056 0.000 1.053 401 V CB -1.382 30.485 31.823 0.074 0.000 0.679 401 V HN 0.551 nan 8.190 nan 0.000 0.458 402 T N -0.091 114.489 114.554 0.043 0.000 2.869 402 T HA 0.559 4.909 4.350 0.000 0.000 0.295 402 T C 0.159 174.872 174.700 0.020 0.000 0.987 402 T CA 0.333 62.453 62.100 0.034 0.000 1.109 402 T CB 0.444 69.333 68.868 0.036 0.000 0.932 402 T HN 0.871 nan 8.240 nan 0.000 0.518 403 N N 1.531 120.238 118.700 0.011 0.000 2.385 403 N HA 0.380 5.120 4.740 0.000 0.000 0.291 403 N C 0.400 175.906 175.510 -0.006 0.000 1.298 403 N CA -0.384 52.667 53.050 0.001 0.000 0.955 403 N CB -0.264 38.220 38.487 -0.005 0.000 1.096 403 N HN 0.879 nan 8.380 nan 0.000 0.543 404 Q N -0.609 119.182 119.800 -0.013 0.000 2.454 404 Q HA 0.250 4.590 4.340 0.000 0.000 0.247 404 Q C -0.385 175.600 176.000 -0.025 0.000 1.028 404 Q CA 0.784 56.576 55.803 -0.019 0.000 0.910 404 Q CB 0.058 28.782 28.738 -0.024 0.000 1.276 404 Q HN 0.834 nan 8.270 nan 0.000 0.489 405 D N -1.274 119.112 120.400 -0.023 0.000 3.079 405 D HA -0.215 4.425 4.640 0.000 0.000 0.214 405 D C 0.191 176.482 176.300 -0.015 0.000 1.145 405 D CA 0.959 54.946 54.000 -0.022 0.000 0.958 405 D CB -2.416 38.362 40.800 -0.036 0.000 1.117 405 D HN 0.891 nan 8.370 nan 0.000 0.416 406 c N -1.088 117.507 118.600 -0.008 0.000 4.350 406 c HA -0.232 4.338 4.570 0.000 0.000 0.302 406 c C 1.146 175.253 174.090 0.029 0.000 1.390 406 c CA -0.340 55.996 56.329 0.013 0.000 2.016 406 c CB -3.046 39.474 42.510 0.016 0.000 1.271 406 c HN 0.630 nan 8.230 nan 0.000 0.760 407 c N 1.590 120.177 118.600 -0.022 0.000 2.330 407 c HA 0.572 5.142 4.570 0.000 0.000 0.344 407 c C -1.379 172.716 174.090 0.008 0.000 1.273 407 c CA -1.108 55.187 56.329 -0.057 0.000 1.879 407 c CB 0.459 42.897 42.510 -0.121 0.000 2.376 407 c HN 0.446 nan 8.230 nan 0.000 0.534 408 P HA 0.270 nan 4.420 nan 0.000 0.271 408 P C 0.798 178.125 177.300 0.046 0.000 1.220 408 P CA 0.206 63.344 63.100 0.062 0.000 0.768 408 P CB 0.445 32.200 31.700 0.093 0.000 0.848 409 R N 3.054 123.579 120.500 0.042 0.000 2.096 409 R HA -0.133 4.208 4.340 0.000 0.000 0.235 409 R C 1.236 177.560 176.300 0.040 0.000 1.127 409 R CA 1.880 58.001 56.100 0.034 0.000 0.968 409 R CB -1.220 29.100 30.300 0.033 0.000 0.861 409 R HN 0.819 nan 8.270 nan 0.000 0.440 410 Q N -1.786 118.045 119.800 0.051 0.000 2.501 410 Q HA 0.519 4.859 4.340 0.000 0.000 0.288 410 Q C -1.304 174.736 176.000 0.067 0.000 1.051 410 Q CA -1.104 54.731 55.803 0.053 0.000 0.788 410 Q CB 1.694 30.459 28.738 0.045 0.000 1.469 410 Q HN 0.311 nan 8.270 nan 0.000 0.416 411 R N -0.410 120.129 120.500 0.066 0.000 2.539 411 R HA 0.449 4.789 4.340 0.000 0.000 0.275 411 R C 0.683 177.026 176.300 0.071 0.000 1.077 411 R CA 1.022 57.166 56.100 0.075 0.000 1.097 411 R CB 0.526 30.867 30.300 0.069 0.000 1.018 411 R HN 1.058 nan 8.270 nan 0.000 0.483 412 G N 1.512 110.360 108.800 0.079 0.000 2.176 412 G HA2 -0.253 3.707 3.960 0.000 0.000 0.232 412 G HA3 -0.253 3.707 3.960 0.000 0.000 0.232 412 G C 0.054 175.011 174.900 0.096 0.000 0.986 412 G CA -0.520 44.629 45.100 0.081 0.000 0.643 412 G HN 0.411 nan 8.290 nan 0.000 0.522 413 L N 1.076 122.358 121.223 0.099 0.000 2.410 413 L HA 0.584 4.924 4.340 0.000 0.000 0.273 413 L C 0.744 177.689 176.870 0.125 0.000 1.152 413 L CA 0.584 55.492 54.840 0.114 0.000 0.855 413 L CB 1.216 43.339 42.059 0.106 0.000 1.129 413 L HN 0.560 nan 8.230 nan 0.000 0.463 414 A N 2.455 125.363 122.820 0.146 0.000 2.609 414 A HA 0.382 4.702 4.320 0.000 0.000 0.291 414 A C -1.439 176.272 177.584 0.212 0.000 1.096 414 A CA -0.602 51.532 52.037 0.162 0.000 0.684 414 A CB 1.325 20.404 19.000 0.131 0.000 1.282 414 A HN 0.767 nan 8.150 nan 0.000 0.412 415 H N 1.624 120.766 119.070 0.120 0.000 2.685 415 H HA 0.493 5.049 4.556 0.000 0.000 0.286 415 H C -1.572 173.839 175.328 0.138 0.000 1.102 415 H CA -0.371 55.754 56.048 0.127 0.000 1.254 415 H CB 0.759 30.588 29.762 0.112 0.000 1.397 415 H HN 0.506 nan 8.280 nan 0.000 0.473 416 L N 6.589 127.734 121.223 -0.129 0.000 2.264 416 L HA 0.272 4.612 4.340 0.000 0.000 0.289 416 L C -1.206 175.566 176.870 -0.163 0.000 1.044 416 L CA -0.401 54.347 54.840 -0.152 0.000 0.807 416 L CB 1.118 43.013 42.059 -0.273 0.000 1.192 416 L HN 0.381 nan 8.230 nan 0.000 0.425 417 V N 6.202 126.063 119.914 -0.088 0.000 2.380 417 V HA 0.382 4.502 4.120 0.000 0.000 0.286 417 V C -0.563 175.579 176.094 0.080 0.000 1.015 417 V CA -0.678 61.607 62.300 -0.025 0.000 0.834 417 V CB 1.780 33.567 31.823 -0.061 0.000 1.009 417 V HN 0.478 nan 8.190 nan 0.000 0.428 418 V N 4.830 124.800 119.914 0.093 0.000 2.370 418 V HA 0.800 4.920 4.120 0.000 0.000 0.279 418 V C 0.377 176.429 176.094 -0.071 0.000 1.029 418 V CA 0.042 62.384 62.300 0.069 0.000 0.870 418 V CB 1.123 33.016 31.823 0.116 0.000 0.984 418 V HN 1.024 nan 8.190 nan 0.000 0.451 419 S N 2.525 118.053 115.700 -0.286 0.000 2.973 419 S HA 0.477 4.947 4.470 0.000 0.000 0.317 419 S C 0.144 174.436 174.600 -0.513 0.000 1.196 419 S CA -0.257 57.709 58.200 -0.390 0.000 0.894 419 S CB 1.119 64.298 63.200 -0.035 0.000 1.292 419 S HN 0.873 nan 8.310 nan 0.000 0.614 420 N N -0.210 118.394 118.700 -0.160 0.000 2.740 420 N HA -0.157 4.583 4.740 0.000 0.000 0.248 420 N C -1.490 174.047 175.510 0.045 0.000 1.062 420 N CA -0.011 53.036 53.050 -0.006 0.000 0.704 420 N CB -1.249 37.263 38.487 0.041 0.000 0.968 420 N HN 0.464 nan 8.380 nan 0.000 0.547 421 F N 1.244 121.359 119.950 0.274 0.000 2.506 421 F HA 0.285 4.812 4.527 0.000 0.000 0.371 421 F C 1.042 177.132 175.800 0.484 0.000 1.078 421 F CA 0.141 58.359 58.000 0.364 0.000 1.195 421 F CB 0.675 39.841 39.000 0.275 0.000 1.099 421 F HN 0.154 nan 8.300 nan 0.000 0.548 422 R N 1.730 122.586 120.500 0.593 0.000 2.604 422 R HA 0.857 5.198 4.340 0.000 0.000 0.270 422 R C -1.669 174.851 176.300 0.365 0.000 1.052 422 R CA -1.114 55.220 56.100 0.391 0.000 0.902 422 R CB 0.929 31.334 30.300 0.176 0.000 1.233 422 R HN 0.563 nan 8.270 nan 0.000 0.455 423 A N 1.459 124.440 122.820 0.268 0.000 2.355 423 A HA 0.747 5.067 4.320 0.000 0.000 0.324 423 A C -1.035 176.577 177.584 0.047 0.000 1.117 423 A CA -0.810 51.352 52.037 0.208 0.000 0.785 423 A CB 1.176 20.359 19.000 0.305 0.000 1.254 423 A HN 0.766 nan 8.150 nan 0.000 0.453 424 E N 1.172 121.372 120.200 -0.000 0.000 2.222 424 E HA 0.432 4.782 4.350 0.000 0.000 0.267 424 E C -1.062 175.474 176.600 -0.106 0.000 0.884 424 E CA -1.003 55.284 56.400 -0.188 0.000 0.764 424 E CB 0.968 30.516 29.700 -0.253 0.000 1.169 424 E HN 0.730 nan 8.360 nan 0.000 0.413 425 H N 0.643 119.804 119.070 0.151 0.000 2.527 425 H HA -0.216 4.340 4.556 0.000 0.000 0.321 425 H C -0.620 174.859 175.328 0.252 0.000 1.092 425 H CA 0.207 56.410 56.048 0.258 0.000 1.118 425 H CB -1.471 28.436 29.762 0.242 0.000 1.536 425 H HN 0.227 nan 8.280 nan 0.000 0.407 426 L N 1.137 122.553 121.223 0.321 0.000 2.289 426 L HA 0.550 4.890 4.340 0.000 0.000 0.285 426 L C -0.135 176.990 176.870 0.425 0.000 1.049 426 L CA -0.116 54.864 54.840 0.233 0.000 0.804 426 L CB 0.583 42.745 42.059 0.172 0.000 1.195 426 L HN 0.426 nan 8.230 nan 0.000 0.428 427 W N 3.489 124.857 121.300 0.114 0.000 2.989 427 W HA 0.796 5.456 4.660 0.000 0.000 0.344 427 W C -0.612 176.003 176.519 0.161 0.000 1.233 427 W CA -0.507 56.881 57.345 0.072 0.000 1.187 427 W CB 0.223 29.659 29.460 -0.039 0.000 1.443 427 W HN 0.741 nan 8.180 nan 0.000 0.573 428 G N 0.005 109.001 108.800 0.327 0.000 2.857 428 G HA2 0.317 4.277 3.960 0.000 0.000 0.217 428 G HA3 0.317 4.277 3.960 0.000 0.000 0.217 428 G C -0.477 174.555 174.900 0.220 0.000 1.357 428 G CA -0.291 44.943 45.100 0.223 0.000 1.033 428 G HN 0.525 nan 8.290 nan 0.000 0.571 429 D N -1.019 119.366 120.400 -0.024 0.000 2.363 429 D HA 0.066 4.706 4.640 0.000 0.000 0.220 429 D C 1.104 177.135 176.300 -0.448 0.000 0.994 429 D CA 0.868 54.704 54.000 -0.273 0.000 0.890 429 D CB 0.230 40.721 40.800 -0.514 0.000 0.906 429 D HN 0.399 nan 8.370 nan 0.000 0.530 430 Y N -0.834 119.540 120.300 0.123 0.000 2.594 430 Y HA 0.214 4.764 4.550 0.000 0.000 0.283 430 Y C 1.294 177.230 175.900 0.060 0.000 1.140 430 Y CA -0.009 58.132 58.100 0.069 0.000 1.261 430 Y CB 0.470 38.947 38.460 0.028 0.000 1.358 430 Y HN -0.235 nan 8.280 nan 0.000 0.513 431 T N -1.245 113.450 114.554 0.235 0.000 2.816 431 T HA 0.283 4.633 4.350 0.000 0.000 0.299 431 T C 0.682 175.411 174.700 0.049 0.000 1.230 431 T CA 0.023 62.185 62.100 0.104 0.000 1.007 431 T CB 1.326 70.253 68.868 0.097 0.000 1.289 431 T HN 0.184 nan 8.240 nan 0.000 0.508 432 T N 0.060 114.514 114.554 -0.166 0.000 3.100 432 T HA 0.398 4.748 4.350 0.000 0.000 0.253 432 T C 0.915 175.573 174.700 -0.070 0.000 1.118 432 T CA 0.337 62.222 62.100 -0.359 0.000 1.058 432 T CB -0.152 68.317 68.868 -0.665 0.000 0.953 432 T HN 0.783 nan 8.240 nan 0.000 0.515 433 A N 2.135 124.965 122.820 0.016 0.000 2.437 433 A HA 0.522 4.842 4.320 0.000 0.000 0.303 433 A C 0.281 177.949 177.584 0.141 0.000 1.324 433 A CA -0.442 51.640 52.037 0.075 0.000 0.983 433 A CB -0.366 18.681 19.000 0.078 0.000 1.142 433 A HN 0.352 nan 8.150 nan 0.000 0.541 434 T N 2.425 117.070 114.554 0.151 0.000 2.767 434 T HA 0.389 4.739 4.350 0.000 0.000 0.284 434 T C -0.620 174.159 174.700 0.133 0.000 0.973 434 T CA -0.367 61.834 62.100 0.169 0.000 0.996 434 T CB 0.926 69.914 68.868 0.200 0.000 0.927 434 T HN 0.547 nan 8.240 nan 0.000 0.456 435 D N 2.590 123.059 120.400 0.114 0.000 2.683 435 D HA 0.394 5.034 4.640 0.000 0.000 0.309 435 D C 0.240 176.536 176.300 -0.007 0.000 1.238 435 D CA -0.309 53.675 54.000 -0.027 0.000 0.936 435 D CB 0.760 41.544 40.800 -0.028 0.000 1.001 435 D HN 0.598 nan 8.370 nan 0.000 0.505 436 A N 1.487 124.370 122.820 0.105 0.000 2.366 436 A HA 0.553 4.873 4.320 0.000 0.000 0.249 436 A C -0.451 177.420 177.584 0.478 0.000 1.084 436 A CA -0.131 52.064 52.037 0.263 0.000 0.794 436 A CB 0.280 19.511 19.000 0.385 0.000 1.034 436 A HN 0.469 nan 8.150 nan 0.000 0.491 437 Y N -1.755 118.696 120.300 0.251 0.000 2.624 437 Y HA 0.690 5.240 4.550 0.000 0.000 0.334 437 Y C -1.605 174.125 175.900 -0.283 0.000 1.155 437 Y CA -1.467 56.628 58.100 -0.008 0.000 1.046 437 Y CB 0.877 39.312 38.460 -0.041 0.000 1.316 437 Y HN 0.527 nan 8.280 nan 0.000 0.457 438 L N 2.697 123.603 121.223 -0.528 0.000 2.346 438 L HA 0.625 4.965 4.340 0.000 0.000 0.274 438 L C -0.777 175.911 176.870 -0.305 0.000 1.007 438 L CA -1.123 53.395 54.840 -0.537 0.000 0.818 438 L CB 2.285 43.777 42.059 -0.945 0.000 1.284 438 L HN 0.642 nan 8.230 nan 0.000 0.424 439 K N 2.285 122.582 120.400 -0.173 0.000 2.339 439 K HA 0.571 4.891 4.320 0.000 0.000 0.264 439 K C -1.303 175.042 176.600 -0.425 0.000 0.986 439 K CA -0.553 55.569 56.287 -0.275 0.000 0.866 439 K CB 2.344 34.798 32.500 -0.077 0.000 1.103 439 K HN 0.256 nan 8.250 nan 0.000 0.441 440 V N 4.945 124.574 119.914 -0.473 0.000 2.417 440 V HA 0.492 4.612 4.120 0.000 0.000 0.291 440 V C -0.823 175.211 176.094 -0.099 0.000 1.024 440 V CA -0.790 61.390 62.300 -0.200 0.000 0.861 440 V CB 0.556 32.349 31.823 -0.050 0.000 0.985 440 V HN 0.520 nan 8.190 nan 0.000 0.436 441 F N 4.696 124.804 119.950 0.263 0.000 2.532 441 F HA 0.810 5.338 4.527 0.000 0.000 0.321 441 F C -0.601 175.366 175.800 0.278 0.000 1.089 441 F CA -1.050 57.130 58.000 0.299 0.000 0.926 441 F CB 1.968 41.060 39.000 0.153 0.000 1.168 441 F HN 0.399 nan 8.300 nan 0.000 0.459 442 F N 0.572 120.714 119.950 0.319 0.000 2.656 442 F HA 0.477 5.004 4.527 0.000 0.000 0.326 442 F C 0.201 176.098 175.800 0.162 0.000 1.109 442 F CA -0.677 57.340 58.000 0.029 0.000 1.086 442 F CB 1.711 40.416 39.000 -0.491 0.000 1.324 442 F HN 0.764 nan 8.300 nan 0.000 0.511 443 G N 3.441 111.973 108.800 -0.448 0.000 2.366 443 G HA2 0.176 4.137 3.960 0.000 0.000 0.299 443 G HA3 0.176 4.137 3.960 0.000 0.000 0.299 443 G C 1.246 176.154 174.900 0.013 0.000 1.020 443 G CA 1.300 46.258 45.100 -0.237 0.000 1.026 443 G HN 2.419 nan 8.290 nan 0.000 0.512 444 G N -1.781 107.040 108.800 0.035 0.000 2.245 444 G HA2 -0.306 3.654 3.960 0.000 0.000 0.264 444 G HA3 -0.306 3.654 3.960 0.000 0.000 0.264 444 G C 0.499 175.480 174.900 0.135 0.000 0.985 444 G CA 1.163 46.308 45.100 0.075 0.000 0.625 444 G HN 1.112 nan 8.290 nan 0.000 0.536 445 Q N 0.329 120.267 119.800 0.231 0.000 2.306 445 Q HA 0.598 4.938 4.340 0.000 0.000 0.241 445 Q C -0.174 175.979 176.000 0.256 0.000 0.948 445 Q CA -0.063 55.869 55.803 0.215 0.000 0.886 445 Q CB 1.303 30.260 28.738 0.365 0.000 1.227 445 Q HN 0.478 nan 8.270 nan 0.000 0.457 446 E N 1.856 122.032 120.200 -0.041 0.000 2.290 446 E HA 0.421 4.771 4.350 0.000 0.000 0.274 446 E C -1.711 174.633 176.600 -0.428 0.000 0.889 446 E CA -0.400 55.922 56.400 -0.131 0.000 0.760 446 E CB 1.107 30.749 29.700 -0.097 0.000 1.206 446 E HN 0.392 nan 8.360 nan 0.000 0.419 447 F N 2.102 121.854 119.950 -0.330 0.000 2.563 447 F HA 0.557 5.085 4.527 0.000 0.000 0.316 447 F C 0.154 175.747 175.800 -0.346 0.000 1.076 447 F CA -0.838 56.965 58.000 -0.328 0.000 0.921 447 F CB 2.201 40.979 39.000 -0.369 0.000 1.209 447 F HN 0.249 nan 8.300 nan 0.000 0.462 448 R N 0.844 121.274 120.500 -0.117 0.000 2.686 448 R HA 0.555 4.895 4.340 0.000 0.000 0.283 448 R C -0.640 175.563 176.300 -0.162 0.000 0.978 448 R CA -0.526 55.473 56.100 -0.168 0.000 0.897 448 R CB 1.986 32.186 30.300 -0.166 0.000 1.192 448 R HN 0.855 nan 8.270 nan 0.000 0.457 449 T N 0.038 114.454 114.554 -0.229 0.000 2.849 449 T HA 0.561 4.912 4.350 0.000 0.000 0.276 449 T C 0.622 175.281 174.700 -0.067 0.000 0.971 449 T CA -0.572 61.403 62.100 -0.208 0.000 0.949 449 T CB 1.412 69.938 68.868 -0.571 0.000 1.093 449 T HN 0.584 nan 8.240 nan 0.000 0.545 450 G N -0.347 108.501 108.800 0.081 0.000 2.504 450 G HA2 0.517 4.477 3.960 0.000 0.000 0.288 450 G HA3 0.517 4.477 3.960 0.000 0.000 0.288 450 G C -0.474 174.539 174.900 0.189 0.000 1.182 450 G CA -0.847 44.308 45.100 0.091 0.000 0.894 450 G HN 0.819 nan 8.290 nan 0.000 0.521 451 V N 0.087 120.000 119.914 -0.002 0.000 2.583 451 V HA 0.224 4.344 4.120 0.000 0.000 0.287 451 V C 0.189 176.123 176.094 -0.267 0.000 1.051 451 V CA -0.411 61.764 62.300 -0.209 0.000 1.010 451 V CB 1.464 32.804 31.823 -0.805 0.000 0.988 451 V HN 0.398 nan 8.190 nan 0.000 0.478 452 V N 4.206 123.984 119.914 -0.226 0.000 2.275 452 V HA 0.272 4.392 4.120 0.000 0.000 0.272 452 V C -0.493 175.473 176.094 -0.214 0.000 1.028 452 V CA -0.741 61.436 62.300 -0.205 0.000 0.810 452 V CB 0.459 32.092 31.823 -0.316 0.000 1.043 452 V HN 0.888 nan 8.190 nan 0.000 0.453 453 W N 3.776 125.118 121.300 0.069 0.000 2.251 453 W HA 0.263 4.923 4.660 0.000 0.000 0.327 453 W C 1.226 177.775 176.519 0.050 0.000 1.361 453 W CA 0.004 57.392 57.345 0.072 0.000 1.234 453 W CB 0.017 29.513 29.460 0.059 0.000 1.212 453 W HN 0.654 nan 8.180 nan 0.000 0.557 454 N N 3.243 122.103 118.700 0.266 0.000 2.614 454 N HA -0.272 4.469 4.740 0.000 0.000 0.276 454 N C -1.335 174.234 175.510 0.099 0.000 1.119 454 N CA 0.781 53.932 53.050 0.169 0.000 0.742 454 N CB -0.966 37.618 38.487 0.162 0.000 0.900 454 N HN 0.546 nan 8.380 nan 0.000 0.549 455 N N 1.136 119.879 118.700 0.072 0.000 2.493 455 N HA 0.267 5.007 4.740 0.000 0.000 0.279 455 N C -0.006 175.535 175.510 0.053 0.000 1.082 455 N CA -0.513 52.557 53.050 0.032 0.000 0.963 455 N CB 0.631 39.102 38.487 -0.027 0.000 1.627 455 N HN 0.266 nan 8.380 nan 0.000 0.499 456 N N 1.090 119.835 118.700 0.076 0.000 2.422 456 N HA 0.154 4.894 4.740 0.000 0.000 0.181 456 N C -0.549 175.015 175.510 0.090 0.000 1.080 456 N CA 0.446 53.584 53.050 0.148 0.000 0.893 456 N CB 0.255 38.867 38.487 0.209 0.000 0.973 456 N HN 0.414 nan 8.380 nan 0.000 0.456 457 N N 1.104 119.807 118.700 0.004 0.000 2.813 457 N HA 0.201 4.942 4.740 0.000 0.000 0.282 457 N C -2.874 172.554 175.510 -0.136 0.000 1.748 457 N CA -0.811 52.202 53.050 -0.063 0.000 0.860 457 N CB 1.408 39.849 38.487 -0.076 0.000 1.204 457 N HN 0.148 nan 8.380 nan 0.000 0.490 458 P HA 0.263 nan 4.420 nan 0.000 0.278 458 P C -0.414 176.479 177.300 -0.677 0.000 1.238 458 P CA -0.280 62.495 63.100 -0.543 0.000 0.794 458 P CB 1.475 32.709 31.700 -0.778 0.000 0.955 459 R N 2.080 122.186 120.500 -0.657 0.000 2.513 459 R HA 0.424 4.764 4.340 0.000 0.000 0.301 459 R C -1.066 175.024 176.300 -0.350 0.000 0.968 459 R CA -0.430 55.467 56.100 -0.338 0.000 0.872 459 R CB 1.047 31.276 30.300 -0.119 0.000 1.177 459 R HN 0.523 nan 8.270 nan 0.000 0.444 460 W N 2.786 124.165 121.300 0.132 0.000 2.551 460 W HA 0.195 4.855 4.660 0.000 0.000 0.330 460 W C 0.824 177.439 176.519 0.160 0.000 1.063 460 W CA -0.816 56.605 57.345 0.126 0.000 1.222 460 W CB 2.092 31.612 29.460 0.100 0.000 1.349 460 W HN 0.671 nan 8.180 nan 0.000 0.536 461 T N -2.533 112.212 114.554 0.318 0.000 3.129 461 T HA -0.014 4.336 4.350 0.000 0.000 0.251 461 T C -0.013 174.827 174.700 0.234 0.000 1.117 461 T CA -0.073 62.162 62.100 0.224 0.000 1.034 461 T CB -0.268 68.687 68.868 0.145 0.000 0.968 461 T HN 0.087 nan 8.240 nan 0.000 0.526 462 D N 2.382 122.963 120.400 0.302 0.000 2.493 462 D HA 0.179 4.819 4.640 0.000 0.000 0.240 462 D C -0.006 176.461 176.300 0.279 0.000 1.142 462 D CA 0.586 54.736 54.000 0.251 0.000 0.872 462 D CB 0.583 41.483 40.800 0.167 0.000 1.173 462 D HN 0.273 nan 8.370 nan 0.000 0.467 463 K N 3.446 123.937 120.400 0.152 0.000 2.527 463 K HA 0.263 4.583 4.320 0.000 0.000 0.240 463 K C -0.938 175.662 176.600 -0.000 0.000 0.989 463 K CA -0.583 55.760 56.287 0.094 0.000 0.985 463 K CB 0.453 32.994 32.500 0.069 0.000 1.221 463 K HN 0.435 nan 8.250 nan 0.000 0.458 464 M N 3.170 122.736 119.600 -0.057 0.000 2.135 464 M HA 0.085 4.565 4.480 0.000 0.000 0.345 464 M C -0.244 175.796 176.300 -0.433 0.000 1.340 464 M CA -0.108 54.911 55.300 -0.468 0.000 1.162 464 M CB 0.542 32.753 32.600 -0.648 0.000 1.570 464 M HN 0.279 nan 8.290 nan 0.000 0.454 465 D N 3.003 123.166 120.400 -0.395 0.000 2.411 465 D HA 0.112 4.753 4.640 0.000 0.000 0.225 465 D C -0.007 176.224 176.300 -0.116 0.000 1.156 465 D CA -0.021 53.898 54.000 -0.135 0.000 0.874 465 D CB 0.476 41.305 40.800 0.048 0.000 1.034 465 D HN 0.464 nan 8.370 nan 0.000 0.502 466 F N 1.886 121.780 119.950 -0.094 0.000 2.802 466 F HA -0.070 4.457 4.527 0.000 0.000 0.300 466 F C 1.677 177.589 175.800 0.187 0.000 1.168 466 F CA 0.035 58.107 58.000 0.120 0.000 1.433 466 F CB 0.112 39.148 39.000 0.060 0.000 1.115 466 F HN 0.275 nan 8.300 nan 0.000 0.582 467 E N -0.622 119.766 120.200 0.314 0.000 3.229 467 E HA -0.303 4.047 4.350 0.000 0.000 0.354 467 E C -0.098 176.744 176.600 0.404 0.000 1.487 467 E CA 1.240 57.868 56.400 0.380 0.000 1.617 467 E CB -1.187 28.670 29.700 0.262 0.000 1.768 467 E HN 0.422 nan 8.360 nan 0.000 0.497 468 N N 1.402 120.278 118.700 0.294 0.000 2.422 468 N HA 0.511 5.251 4.740 0.000 0.000 0.266 468 N C -0.173 175.478 175.510 0.234 0.000 1.007 468 N CA 0.453 53.651 53.050 0.247 0.000 0.941 468 N CB 1.410 40.005 38.487 0.180 0.000 1.115 468 N HN 0.583 nan 8.380 nan 0.000 0.492 469 V N -0.724 119.334 119.914 0.240 0.000 3.102 469 V HA 0.514 4.634 4.120 0.000 0.000 0.312 469 V C -0.564 175.669 176.094 0.231 0.000 1.135 469 V CA -1.102 61.361 62.300 0.273 0.000 1.022 469 V CB 2.341 34.426 31.823 0.437 0.000 1.056 469 V HN 0.260 nan 8.190 nan 0.000 0.436 470 L N 2.511 123.858 121.223 0.206 0.000 2.282 470 L HA 0.349 4.689 4.340 0.000 0.000 0.287 470 L C 0.963 177.956 176.870 0.206 0.000 1.075 470 L CA 0.032 54.960 54.840 0.147 0.000 0.839 470 L CB 0.524 42.623 42.059 0.067 0.000 1.219 470 L HN 0.813 nan 8.230 nan 0.000 0.434 471 L N 2.690 124.031 121.223 0.197 0.000 2.201 471 L HA -0.186 4.155 4.340 0.000 0.000 0.212 471 L C 2.427 179.370 176.870 0.122 0.000 1.105 471 L CA 1.545 56.498 54.840 0.188 0.000 0.775 471 L CB -0.040 42.075 42.059 0.093 0.000 0.913 471 L HN 0.810 nan 8.230 nan 0.000 0.440 472 S N -2.814 112.934 115.700 0.080 0.000 2.336 472 S HA -0.132 4.338 4.470 0.000 0.000 0.216 472 S C 1.902 176.511 174.600 0.014 0.000 1.032 472 S CA 1.295 59.520 58.200 0.043 0.000 0.973 472 S CB -0.950 62.275 63.200 0.041 0.000 0.888 472 S HN 0.387 nan 8.310 nan 0.000 0.455 473 T N 1.381 115.935 114.554 -0.001 0.000 2.668 473 T HA 0.364 4.715 4.350 0.000 0.000 0.262 473 T C 1.640 176.273 174.700 -0.113 0.000 1.045 473 T CA 1.359 63.430 62.100 -0.047 0.000 1.152 473 T CB -1.429 67.412 68.868 -0.045 0.000 0.864 473 T HN 0.960 nan 8.240 nan 0.000 0.419 474 G N 0.718 109.403 108.800 -0.192 0.000 2.652 474 G HA2 -0.164 3.796 3.960 0.000 0.000 0.278 474 G HA3 -0.164 3.796 3.960 0.000 0.000 0.278 474 G C 0.788 175.222 174.900 -0.776 0.000 1.263 474 G CA 0.263 45.046 45.100 -0.527 0.000 0.966 474 G HN 0.772 nan 8.290 nan 0.000 0.544 475 G N 2.455 110.944 108.800 -0.519 0.000 2.832 475 G HA2 0.550 4.510 3.960 0.000 0.000 0.187 475 G HA3 0.550 4.510 3.960 0.000 0.000 0.187 475 G C -1.656 173.133 174.900 -0.186 0.000 1.817 475 G CA 1.153 46.086 45.100 -0.279 0.000 0.896 475 G HN 0.858 nan 8.290 nan 0.000 0.453 476 P HA 0.344 nan 4.420 nan 0.000 0.284 476 P C -1.015 176.393 177.300 0.179 0.000 1.258 476 P CA -0.763 62.362 63.100 0.042 0.000 0.824 476 P CB 1.764 33.466 31.700 0.002 0.000 1.038 477 L N 2.563 123.902 121.223 0.194 0.000 2.363 477 L HA 0.298 4.638 4.340 0.000 0.000 0.286 477 L C 0.460 177.396 176.870 0.109 0.000 1.106 477 L CA -0.062 54.854 54.840 0.127 0.000 0.859 477 L CB -0.679 41.246 42.059 -0.224 0.000 1.223 477 L HN 0.308 nan 8.230 nan 0.000 0.446 478 R N 3.981 124.591 120.500 0.184 0.000 2.265 478 R HA 0.603 4.943 4.340 0.000 0.000 0.319 478 R C -1.532 174.916 176.300 0.246 0.000 1.006 478 R CA -0.553 55.674 56.100 0.211 0.000 0.880 478 R CB 1.102 31.523 30.300 0.202 0.000 1.077 478 R HN 0.495 nan 8.270 nan 0.000 0.454 479 V N 5.465 125.465 119.914 0.143 0.000 2.376 479 V HA 0.230 4.350 4.120 0.000 0.000 0.287 479 V C -0.474 175.656 176.094 0.062 0.000 1.015 479 V CA -0.639 61.679 62.300 0.031 0.000 0.834 479 V CB 1.516 33.263 31.823 -0.126 0.000 1.001 479 V HN 0.796 nan 8.190 nan 0.000 0.428 480 Q N 3.245 123.102 119.800 0.095 0.000 2.314 480 Q HA 0.541 4.881 4.340 0.000 0.000 0.259 480 Q C -0.935 175.003 176.000 -0.104 0.000 0.951 480 Q CA -0.561 55.263 55.803 0.036 0.000 0.909 480 Q CB 2.550 31.482 28.738 0.324 0.000 1.236 480 Q HN 0.610 nan 8.270 nan 0.000 0.444 481 V N 3.322 123.088 119.914 -0.247 0.000 2.348 481 V HA 0.295 4.415 4.120 0.000 0.000 0.270 481 V C -0.687 175.171 176.094 -0.392 0.000 1.037 481 V CA -0.653 61.503 62.300 -0.240 0.000 0.872 481 V CB -0.116 31.634 31.823 -0.122 0.000 1.002 481 V HN 0.657 nan 8.190 nan 0.000 0.464 482 W N 1.939 122.967 121.300 -0.454 0.000 2.578 482 W HA 0.585 5.245 4.660 0.000 0.000 0.353 482 W C -0.111 176.162 176.519 -0.410 0.000 1.088 482 W CA -0.527 56.498 57.345 -0.533 0.000 1.235 482 W CB 1.215 30.071 29.460 -1.006 0.000 1.362 482 W HN 0.364 nan 8.180 nan 0.000 0.592 483 D N 1.300 121.773 120.400 0.122 0.000 2.440 483 D HA 0.428 5.068 4.640 0.000 0.000 0.239 483 D C -0.689 175.782 176.300 0.285 0.000 1.084 483 D CA -0.431 53.672 54.000 0.172 0.000 0.843 483 D CB 1.111 42.016 40.800 0.175 0.000 1.097 483 D HN 0.416 nan 8.370 nan 0.000 0.531 484 A N 3.601 126.608 122.820 0.311 0.000 2.524 484 A HA 0.272 4.592 4.320 0.000 0.000 0.250 484 A C 0.006 177.780 177.584 0.317 0.000 1.078 484 A CA 0.105 52.340 52.037 0.330 0.000 0.761 484 A CB 0.273 19.327 19.000 0.089 0.000 1.012 484 A HN 0.467 nan 8.150 nan 0.000 0.500 485 D N 2.088 122.681 120.400 0.321 0.000 2.481 485 D HA 0.478 5.118 4.640 0.000 0.000 0.246 485 D C 1.202 177.700 176.300 0.329 0.000 1.109 485 D CA 0.377 54.566 54.000 0.316 0.000 0.845 485 D CB 0.407 41.370 40.800 0.272 0.000 1.160 485 D HN 0.516 nan 8.370 nan 0.000 0.534 486 Y N 1.899 122.396 120.300 0.329 0.000 1.930 486 Y HA -0.235 4.315 4.550 0.000 0.000 0.241 486 Y C 2.083 178.077 175.900 0.155 0.000 1.104 486 Y CA 2.095 60.334 58.100 0.233 0.000 1.060 486 Y CB -1.324 37.240 38.460 0.173 0.000 0.932 486 Y HN 0.539 nan 8.280 nan 0.000 0.496 487 G N -1.156 107.709 108.800 0.109 0.000 2.430 487 G HA2 0.120 4.081 3.960 0.000 0.000 0.216 487 G HA3 0.120 4.081 3.960 0.000 0.000 0.216 487 G C 0.535 175.315 174.900 -0.200 0.000 1.146 487 G CA 0.377 45.394 45.100 -0.139 0.000 0.793 487 G HN 0.654 nan 8.290 nan 0.000 0.537 488 W N 0.965 122.288 121.300 0.039 0.000 2.166 488 W HA 0.456 5.116 4.660 0.000 0.000 0.364 488 W C -0.057 176.495 176.519 0.055 0.000 1.344 488 W CA -1.136 56.231 57.345 0.036 0.000 1.471 488 W CB 0.378 29.851 29.460 0.021 0.000 1.220 488 W HN -0.181 nan 8.180 nan 0.000 0.666 489 D N 1.550 122.137 120.400 0.312 0.000 2.390 489 D HA 0.002 4.642 4.640 0.000 0.000 0.249 489 D C -0.463 175.993 176.300 0.260 0.000 1.144 489 D CA 0.140 54.273 54.000 0.222 0.000 0.880 489 D CB 0.635 41.552 40.800 0.194 0.000 1.182 489 D HN 0.150 nan 8.370 nan 0.000 0.451 490 D N 1.363 121.916 120.400 0.255 0.000 2.472 490 D HA 0.002 4.642 4.640 0.000 0.000 0.237 490 D C 0.355 176.954 176.300 0.498 0.000 1.141 490 D CA 0.360 54.571 54.000 0.351 0.000 0.875 490 D CB 0.728 41.737 40.800 0.349 0.000 1.192 490 D HN 0.340 nan 8.370 nan 0.000 0.450 491 D N 0.972 121.622 120.400 0.418 0.000 2.168 491 D HA 0.223 4.863 4.640 0.000 0.000 0.246 491 D C -0.372 175.994 176.300 0.110 0.000 1.050 491 D CA -0.798 53.387 54.000 0.309 0.000 0.857 491 D CB 1.653 42.594 40.800 0.235 0.000 1.169 491 D HN 0.131 nan 8.370 nan 0.000 0.453 492 L N 2.914 123.929 121.223 -0.347 0.000 2.369 492 L HA 0.098 4.438 4.340 0.000 0.000 0.279 492 L C 0.826 177.447 176.870 -0.416 0.000 1.108 492 L CA -0.205 54.084 54.840 -0.918 0.000 0.852 492 L CB 0.410 41.716 42.059 -1.255 0.000 1.169 492 L HN 0.521 nan 8.230 nan 0.000 0.452 493 L N 5.017 126.039 121.223 -0.336 0.000 2.313 493 L HA 0.343 4.683 4.340 0.000 0.000 0.214 493 L C 1.055 177.806 176.870 -0.198 0.000 1.119 493 L CA 0.544 55.279 54.840 -0.175 0.000 0.809 493 L CB -0.615 41.392 42.059 -0.088 0.000 0.933 493 L HN 0.863 nan 8.230 nan 0.000 0.449 494 G N -1.482 107.158 108.800 -0.268 0.000 2.325 494 G HA2 0.324 4.284 3.960 0.000 0.000 0.297 494 G HA3 0.324 4.284 3.960 0.000 0.000 0.297 494 G C -1.796 172.977 174.900 -0.212 0.000 1.448 494 G CA -0.289 44.687 45.100 -0.208 0.000 0.838 494 G HN -0.178 nan 8.290 nan 0.000 0.579 495 S N -1.645 113.972 115.700 -0.139 0.000 2.541 495 S HA 0.799 5.269 4.470 0.000 0.000 0.271 495 S C -0.486 174.096 174.600 -0.029 0.000 1.133 495 S CA 0.053 58.203 58.200 -0.083 0.000 0.876 495 S CB 0.976 64.118 63.200 -0.097 0.000 1.105 495 S HN 2.180 nan 8.310 nan 0.000 0.470 496 c N 2.016 120.631 118.600 0.025 0.000 2.985 496 c HA 0.906 5.476 4.570 0.000 0.000 0.314 496 c C -1.542 172.593 174.090 0.075 0.000 1.215 496 c CA -0.773 55.585 56.329 0.048 0.000 1.414 496 c CB 0.929 43.484 42.510 0.076 0.000 1.842 496 c HN 0.763 nan 8.230 nan 0.000 0.477 497 D N 1.587 122.018 120.400 0.051 0.000 2.342 497 D HA 0.743 5.384 4.640 0.000 0.000 0.243 497 D C -0.450 175.877 176.300 0.044 0.000 1.019 497 D CA -0.226 53.803 54.000 0.049 0.000 0.864 497 D CB 1.509 42.318 40.800 0.014 0.000 1.315 497 D HN 0.526 nan 8.370 nan 0.000 0.468 498 R N 0.335 120.856 120.500 0.034 0.000 2.626 498 R HA 0.426 4.766 4.340 0.000 0.000 0.274 498 R C -1.130 175.132 176.300 -0.064 0.000 1.031 498 R CA -0.758 55.338 56.100 -0.007 0.000 0.898 498 R CB 1.855 32.161 30.300 0.009 0.000 1.222 498 R HN 0.234 nan 8.270 nan 0.000 0.455 499 S N 3.842 119.479 115.700 -0.105 0.000 2.409 499 S HA 0.345 4.815 4.470 0.000 0.000 0.308 499 S C -2.232 172.121 174.600 -0.413 0.000 1.080 499 S CA -1.159 56.928 58.200 -0.188 0.000 1.081 499 S CB 0.814 63.915 63.200 -0.164 0.000 1.009 499 S HN 0.230 nan 8.310 nan 0.000 0.502 500 P HA 0.217 nan 4.420 nan 0.000 0.271 500 P C -0.412 176.618 177.300 -0.449 0.000 1.216 500 P CA -0.063 62.769 63.100 -0.446 0.000 0.776 500 P CB 0.480 31.778 31.700 -0.670 0.000 0.881 501 H N -0.749 118.310 119.070 -0.018 0.000 2.771 501 H HA 0.304 4.861 4.556 0.000 0.000 0.367 501 H C 0.263 175.675 175.328 0.140 0.000 1.172 501 H CA -0.693 55.347 56.048 -0.012 0.000 1.186 501 H CB 1.634 31.313 29.762 -0.138 0.000 1.790 501 H HN 0.407 nan 8.280 nan 0.000 0.556 502 S N 0.559 116.411 115.700 0.253 0.000 2.549 502 S HA 0.457 4.928 4.470 0.000 0.000 0.283 502 S C 0.807 175.498 174.600 0.151 0.000 1.320 502 S CA 0.368 58.673 58.200 0.174 0.000 1.058 502 S CB 0.552 63.822 63.200 0.118 0.000 0.882 502 S HN 1.117 nan 8.310 nan 0.000 0.498 503 G N 1.723 110.464 108.800 -0.098 0.000 2.422 503 G HA2 0.041 4.001 3.960 0.000 0.000 0.607 503 G HA3 0.041 4.001 3.960 0.000 0.000 0.607 503 G C -0.946 173.464 174.900 -0.817 0.000 1.270 503 G CA -0.593 44.222 45.100 -0.474 0.000 0.992 503 G HN 1.268 nan 8.290 nan 0.000 0.499 504 F N 1.800 121.155 119.950 -0.992 0.000 2.411 504 F HA 0.745 5.272 4.527 0.000 0.000 0.355 504 F C 0.358 175.576 175.800 -0.969 0.000 1.117 504 F CA -0.390 57.153 58.000 -0.761 0.000 1.139 504 F CB 0.771 39.570 39.000 -0.336 0.000 1.120 504 F HN 0.592 nan 8.300 nan 0.000 0.493 505 H N 3.364 121.665 119.070 -1.282 0.000 2.717 505 H HA 0.348 4.904 4.556 0.000 0.000 0.366 505 H C -0.999 173.676 175.328 -1.089 0.000 1.132 505 H CA -0.980 54.427 56.048 -1.067 0.000 1.180 505 H CB 1.545 30.706 29.762 -1.001 0.000 1.678 505 H HN 0.454 nan 8.280 nan 0.000 0.537 506 E N 2.311 122.168 120.200 -0.571 0.000 2.134 506 E HA 0.298 4.648 4.350 0.000 0.000 0.278 506 E C -0.636 175.746 176.600 -0.363 0.000 0.959 506 E CA -0.573 55.559 56.400 -0.446 0.000 0.783 506 E CB 2.353 31.891 29.700 -0.269 0.000 1.095 506 E HN 0.223 nan 8.360 nan 0.000 0.399 507 V N 2.689 122.292 119.914 -0.519 0.000 2.581 507 V HA 0.414 4.534 4.120 0.000 0.000 0.303 507 V C 0.037 175.849 176.094 -0.469 0.000 1.041 507 V CA -0.539 61.406 62.300 -0.591 0.000 0.907 507 V CB 2.027 33.225 31.823 -1.042 0.000 0.994 507 V HN 0.613 nan 8.190 nan 0.000 0.442 508 T N 3.024 117.426 114.554 -0.253 0.000 2.906 508 T HA 0.318 4.668 4.350 0.000 0.000 0.302 508 T C -0.616 174.049 174.700 -0.059 0.000 1.002 508 T CA -0.269 61.760 62.100 -0.119 0.000 0.988 508 T CB 0.731 69.553 68.868 -0.076 0.000 0.972 508 T HN 0.681 nan 8.240 nan 0.000 0.447 509 c N 3.837 122.440 118.600 0.005 0.000 2.264 509 c HA 0.444 5.014 4.570 0.000 0.000 0.324 509 c C 0.523 174.625 174.090 0.019 0.000 1.267 509 c CA -1.142 55.206 56.329 0.032 0.000 1.618 509 c CB -0.014 42.555 42.510 0.099 0.000 2.278 509 c HN 0.703 nan 8.230 nan 0.000 0.499 510 E N 3.021 123.216 120.200 -0.008 0.000 2.194 510 E HA 0.399 4.749 4.350 0.000 0.000 0.284 510 E C -0.396 176.173 176.600 -0.052 0.000 1.035 510 E CA -0.042 56.342 56.400 -0.026 0.000 0.836 510 E CB 1.181 30.860 29.700 -0.035 0.000 1.070 510 E HN 0.499 nan 8.360 nan 0.000 0.401 511 L N 2.456 123.636 121.223 -0.071 0.000 2.397 511 L HA 0.231 4.571 4.340 0.000 0.000 0.266 511 L C 1.690 178.442 176.870 -0.195 0.000 1.040 511 L CA -0.539 54.230 54.840 -0.118 0.000 0.800 511 L CB 0.388 42.387 42.059 -0.101 0.000 1.324 511 L HN 0.299 nan 8.230 nan 0.000 0.469 512 N N -0.578 117.953 118.700 -0.282 0.000 2.149 512 N HA -0.126 4.614 4.740 0.000 0.000 0.188 512 N C -0.138 174.947 175.510 -0.708 0.000 1.019 512 N CA 1.313 54.085 53.050 -0.463 0.000 0.857 512 N CB -0.196 37.982 38.487 -0.514 0.000 0.997 512 N HN 0.391 nan 8.380 nan 0.000 0.426 513 H N -0.412 118.401 119.070 -0.428 0.000 2.860 513 H HA 0.451 5.007 4.556 0.000 0.000 0.312 513 H C 1.149 176.205 175.328 -0.453 0.000 0.995 513 H CA 0.019 55.634 56.048 -0.722 0.000 1.311 513 H CB 0.898 29.697 29.762 -1.606 0.000 1.478 513 H HN 0.282 nan 8.280 nan 0.000 0.508 514 G N 3.152 111.856 108.800 -0.160 0.000 2.584 514 G HA2 -0.198 3.762 3.960 0.000 0.000 0.229 514 G HA3 -0.198 3.762 3.960 0.000 0.000 0.229 514 G C -0.464 174.434 174.900 -0.003 0.000 1.320 514 G CA -0.166 44.932 45.100 -0.003 0.000 0.891 514 G HN 0.865 nan 8.290 nan 0.000 0.573 515 R N -2.164 118.359 120.500 0.039 0.000 2.734 515 R HA 0.768 5.108 4.340 0.000 0.000 0.271 515 R C -1.705 174.651 176.300 0.094 0.000 1.021 515 R CA -0.660 55.468 56.100 0.047 0.000 0.893 515 R CB 1.840 32.163 30.300 0.040 0.000 1.244 515 R HN 1.432 nan 8.270 nan 0.000 0.464 516 V N 1.308 121.298 119.914 0.126 0.000 2.495 516 V HA 0.534 4.654 4.120 0.000 0.000 0.298 516 V C -1.038 175.193 176.094 0.228 0.000 1.031 516 V CA -0.653 61.780 62.300 0.222 0.000 0.871 516 V CB 1.831 33.804 31.823 0.250 0.000 0.988 516 V HN 0.765 nan 8.190 nan 0.000 0.432 517 K N 6.391 126.948 120.400 0.262 0.000 2.318 517 K HA 0.808 5.129 4.320 0.000 0.000 0.249 517 K C -1.337 175.446 176.600 0.304 0.000 0.942 517 K CA -0.403 55.978 56.287 0.158 0.000 0.808 517 K CB 2.234 34.781 32.500 0.078 0.000 1.189 517 K HN 0.656 nan 8.250 nan 0.000 0.428 518 F N -1.835 118.119 119.950 0.006 0.000 2.858 518 F HA 0.594 5.121 4.527 0.000 0.000 0.319 518 F C -1.263 174.437 175.800 -0.167 0.000 1.166 518 F CA -1.027 56.885 58.000 -0.147 0.000 0.899 518 F CB 0.982 39.823 39.000 -0.265 0.000 1.332 518 F HN 0.451 nan 8.300 nan 0.000 0.461 519 S N 0.201 115.884 115.700 -0.029 0.000 2.627 519 S HA 0.881 5.351 4.470 0.000 0.000 0.283 519 S C -1.720 172.880 174.600 -0.000 0.000 1.127 519 S CA -0.665 57.408 58.200 -0.211 0.000 0.863 519 S CB 2.207 65.208 63.200 -0.333 0.000 1.121 519 S HN 1.698 nan 8.310 nan 0.000 0.479 520 Y N -1.115 119.036 120.300 -0.249 0.000 2.513 520 Y HA 0.689 5.239 4.550 0.000 0.000 0.340 520 Y C -1.227 174.647 175.900 -0.042 0.000 1.055 520 Y CA -0.980 57.069 58.100 -0.085 0.000 1.020 520 Y CB 1.087 39.510 38.460 -0.060 0.000 1.301 520 Y HN 0.950 nan 8.280 nan 0.000 0.453 521 H N 3.291 122.445 119.070 0.141 0.000 2.551 521 H HA 0.750 5.306 4.556 0.000 0.000 0.321 521 H C -1.395 174.023 175.328 0.150 0.000 1.028 521 H CA -0.351 55.783 56.048 0.144 0.000 1.215 521 H CB 1.616 31.496 29.762 0.197 0.000 1.414 521 H HN 1.039 nan 8.280 nan 0.000 0.480 522 A N 6.107 129.044 122.820 0.196 0.000 2.394 522 A HA 0.265 4.585 4.320 0.000 0.000 0.333 522 A C 0.013 177.739 177.584 0.236 0.000 1.397 522 A CA -0.734 51.430 52.037 0.213 0.000 0.884 522 A CB 0.042 19.154 19.000 0.188 0.000 1.147 522 A HN 0.675 nan 8.150 nan 0.000 0.505 523 K N 2.183 122.802 120.400 0.365 0.000 2.248 523 K HA 0.375 4.695 4.320 0.000 0.000 0.281 523 K C -0.503 176.224 176.600 0.211 0.000 1.054 523 K CA -0.479 56.006 56.287 0.329 0.000 0.903 523 K CB 0.479 33.171 32.500 0.321 0.000 1.077 523 K HN 0.706 nan 8.250 nan 0.000 0.474 524 c N 4.675 123.366 118.600 0.152 0.000 2.642 524 c HA 0.060 4.631 4.570 0.000 0.000 0.420 524 c C 0.846 174.994 174.090 0.098 0.000 1.349 524 c CA -0.599 55.797 56.329 0.111 0.000 1.821 524 c CB -0.737 41.818 42.510 0.075 0.000 2.637 524 c HN 0.724 nan 8.230 nan 0.000 0.605 525 L N 5.260 126.541 121.223 0.097 0.000 2.461 525 L HA 0.181 4.521 4.340 0.000 0.000 0.272 525 L C -1.818 175.081 176.870 0.048 0.000 1.197 525 L CA -1.113 53.776 54.840 0.082 0.000 0.836 525 L CB 0.235 42.350 42.059 0.095 0.000 1.105 525 L HN 0.410 nan 8.230 nan 0.000 0.477 526 P HA -0.015 nan 4.420 nan 0.000 0.264 526 P C -0.245 177.055 177.300 0.000 0.000 1.193 526 P CA 0.564 63.628 63.100 -0.060 0.000 0.763 526 P CB 0.259 31.918 31.700 -0.068 0.000 0.810 527 H N -0.694 118.301 119.070 -0.126 0.000 3.615 527 H HA -0.104 4.453 4.556 0.000 0.000 0.166 527 H C -0.320 174.877 175.328 -0.219 0.000 0.882 527 H CA 0.311 56.215 56.048 -0.239 0.000 1.228 527 H CB -1.537 28.181 29.762 -0.074 0.000 0.936 527 H HN 0.319 nan 8.280 nan 0.000 0.421 528 L N 1.747 122.954 121.223 -0.027 0.000 2.362 528 L HA 0.637 4.978 4.340 0.000 0.000 0.271 528 L C 0.617 177.478 176.870 -0.014 0.000 1.002 528 L CA -0.238 54.609 54.840 0.010 0.000 0.818 528 L CB 2.292 44.392 42.059 0.068 0.000 1.298 528 L HN 0.215 nan 8.230 nan 0.000 0.420 529 T N -1.271 113.283 114.554 0.000 0.000 2.754 529 T HA 0.919 5.269 4.350 0.000 0.000 0.296 529 T C -0.129 174.591 174.700 0.033 0.000 1.205 529 T CA -0.378 61.727 62.100 0.007 0.000 1.009 529 T CB 1.872 70.726 68.868 -0.023 0.000 1.368 529 T HN 1.184 nan 8.240 nan 0.000 0.509 530 G N -0.917 107.903 108.800 0.035 0.000 2.566 530 G HA2 0.331 4.291 3.960 0.000 0.000 0.599 530 G HA3 0.331 4.291 3.960 0.000 0.000 0.599 530 G C 0.703 175.644 174.900 0.067 0.000 1.292 530 G CA -0.005 45.122 45.100 0.045 0.000 0.922 530 G HN 1.553 nan 8.290 nan 0.000 0.514 531 G N -1.160 107.688 108.800 0.079 0.000 2.421 531 G HA2 0.200 4.160 3.960 0.000 0.000 0.216 531 G HA3 0.200 4.160 3.960 0.000 0.000 0.216 531 G C 1.577 176.578 174.900 0.169 0.000 1.171 531 G CA 2.514 47.694 45.100 0.134 0.000 0.775 531 G HN 2.051 nan 8.290 nan 0.000 0.543 532 T N -3.333 111.295 114.554 0.124 0.000 3.243 532 T HA 0.309 4.659 4.350 0.000 0.000 0.264 532 T C 0.775 175.525 174.700 0.083 0.000 1.000 532 T CA 0.121 62.278 62.100 0.095 0.000 0.901 532 T CB -0.736 68.178 68.868 0.076 0.000 1.083 532 T HN 0.508 nan 8.240 nan 0.000 0.559 533 c N 0.733 119.384 118.600 0.084 0.000 4.274 533 c HA -0.159 4.411 4.570 0.000 0.000 0.297 533 c C 1.770 175.906 174.090 0.075 0.000 1.446 533 c CA 0.195 56.570 56.329 0.078 0.000 2.016 533 c CB -3.146 39.416 42.510 0.086 0.000 1.273 533 c HN 0.761 nan 8.230 nan 0.000 0.782 534 L N -0.548 120.718 121.223 0.071 0.000 2.162 534 L HA 0.037 4.377 4.340 0.000 0.000 0.205 534 L C 1.542 178.461 176.870 0.081 0.000 1.086 534 L CA 1.019 55.901 54.840 0.070 0.000 0.778 534 L CB -0.155 41.940 42.059 0.059 0.000 0.928 534 L HN 0.516 nan 8.230 nan 0.000 0.446 535 E N -0.291 119.954 120.200 0.075 0.000 2.404 535 E HA -0.032 4.319 4.350 0.000 0.000 0.261 535 E C -0.976 175.695 176.600 0.118 0.000 1.074 535 E CA -0.093 56.360 56.400 0.088 0.000 0.917 535 E CB 0.464 30.199 29.700 0.059 0.000 0.965 535 E HN 0.002 nan 8.360 nan 0.000 0.433 536 Y N 0.956 121.276 120.300 0.032 0.000 2.299 536 Y HA 0.433 4.983 4.550 0.000 0.000 0.326 536 Y C -0.720 175.202 175.900 0.036 0.000 1.164 536 Y CA -0.697 57.429 58.100 0.043 0.000 1.234 536 Y CB 0.867 39.347 38.460 0.034 0.000 1.219 536 Y HN 0.453 nan 8.280 nan 0.000 0.497 537 A N 7.802 130.141 122.820 -0.802 0.000 2.356 537 A HA 0.682 5.002 4.320 0.000 0.000 0.310 537 A C -3.004 174.089 177.584 -0.819 0.000 1.075 537 A CA -2.067 49.616 52.037 -0.591 0.000 0.746 537 A CB 1.047 19.853 19.000 -0.324 0.000 1.221 537 A HN 0.576 nan 8.150 nan 0.000 0.443 538 P HA 0.275 nan 4.420 nan 0.000 0.275 538 P C -1.011 176.093 177.300 -0.326 0.000 1.228 538 P CA -0.074 62.871 63.100 -0.259 0.000 0.786 538 P CB 0.601 32.264 31.700 -0.062 0.000 0.927 539 Q N 1.543 121.142 119.800 -0.335 0.000 2.462 539 Q HA 0.395 4.735 4.340 0.000 0.000 0.247 539 Q C 0.500 176.387 176.000 -0.189 0.000 1.044 539 Q CA -0.221 55.368 55.803 -0.357 0.000 0.803 539 Q CB 1.441 29.815 28.738 -0.607 0.000 1.190 539 Q HN 0.552 nan 8.270 nan 0.000 0.507 540 G N 1.545 110.224 108.800 -0.201 0.000 2.599 540 G HA2 0.468 4.429 3.960 0.000 0.000 0.264 540 G HA3 0.468 4.429 3.960 0.000 0.000 0.264 540 G C -0.147 174.600 174.900 -0.256 0.000 1.200 540 G CA -0.562 44.383 45.100 -0.259 0.000 0.896 540 G HN 0.493 nan 8.290 nan 0.000 0.536 541 L N -0.040 120.970 121.223 -0.355 0.000 2.371 541 L HA 0.265 4.605 4.340 0.000 0.000 0.272 541 L C 0.193 176.967 176.870 -0.161 0.000 1.124 541 L CA -0.504 54.225 54.840 -0.185 0.000 0.816 541 L CB 1.093 43.134 42.059 -0.030 0.000 1.129 541 L HN 0.252 nan 8.230 nan 0.000 0.448 542 L N 3.275 124.473 121.223 -0.043 0.000 2.360 542 L HA 0.560 4.900 4.340 0.000 0.000 0.276 542 L C 0.830 177.747 176.870 0.077 0.000 1.121 542 L CA 0.209 55.049 54.840 0.000 0.000 0.845 542 L CB 0.224 42.283 42.059 0.001 0.000 1.143 542 L HN 0.913 nan 8.230 nan 0.000 0.452 543 G N 1.617 110.486 108.800 0.113 0.000 2.265 543 G HA2 0.171 4.131 3.960 0.000 0.000 0.246 543 G HA3 0.171 4.131 3.960 0.000 0.000 0.246 543 G C -1.168 173.865 174.900 0.222 0.000 1.299 543 G CA -0.325 44.860 45.100 0.142 0.000 1.117 543 G HN 0.749 nan 8.290 nan 0.000 0.485 544 D N 0.392 120.866 120.400 0.122 0.000 2.268 544 D HA 0.956 5.596 4.640 0.000 0.000 0.249 544 D C -1.063 175.049 176.300 -0.312 0.000 1.008 544 D CA -0.129 53.872 54.000 0.002 0.000 0.939 544 D CB 0.958 41.736 40.800 -0.037 0.000 1.170 544 D HN 1.102 nan 8.370 nan 0.000 0.468 545 P HA 0.527 nan 4.420 nan 0.000 0.276 545 P C -2.383 174.595 177.300 -0.537 0.000 1.230 545 P CA -0.481 61.948 63.100 -1.118 0.000 0.776 545 P CB 0.178 31.458 31.700 -0.700 0.000 0.888 546 P HA 0.422 nan 4.420 nan 0.000 0.282 546 P C 0.549 177.761 177.300 -0.146 0.000 1.262 546 P CA 0.450 63.420 63.100 -0.217 0.000 0.773 546 P CB 1.211 32.819 31.700 -0.153 0.000 0.879 547 G N 0.639 109.379 108.800 -0.100 0.000 3.873 547 G HA2 0.326 4.286 3.960 0.000 0.000 0.232 547 G HA3 0.326 4.286 3.960 0.000 0.000 0.232 547 G C 0.180 175.053 174.900 -0.045 0.000 1.097 547 G CA 0.324 45.389 45.100 -0.059 0.000 0.889 547 G HN 0.861 nan 8.290 nan 0.000 0.532 548 N N -0.166 118.507 118.700 -0.044 0.000 2.455 548 N HA 0.608 5.348 4.740 0.000 0.000 0.278 548 N C -0.103 175.406 175.510 -0.003 0.000 1.291 548 N CA -0.434 52.577 53.050 -0.064 0.000 0.780 548 N CB 0.991 39.432 38.487 -0.076 0.000 1.520 548 N HN 0.678 nan 8.380 nan 0.000 0.486 549 R N -0.318 120.164 120.500 -0.030 0.000 2.446 549 R HA 0.699 5.039 4.340 0.000 0.000 0.314 549 R C 0.580 176.836 176.300 -0.074 0.000 1.003 549 R CA 0.036 56.172 56.100 0.060 0.000 1.018 549 R CB -1.376 28.945 30.300 0.036 0.000 0.945 549 R HN 2.372 nan 8.270 nan 0.000 0.419 550 S N 0.018 115.566 115.700 -0.253 0.000 2.653 550 S HA 0.690 5.160 4.470 0.000 0.000 0.264 550 S C 0.051 173.987 174.600 -1.107 0.000 1.070 550 S CA -0.712 57.133 58.200 -0.592 0.000 0.885 550 S CB 0.262 63.272 63.200 -0.316 0.000 1.157 550 S HN 1.249 nan 8.310 nan 0.000 0.479 551 G N 0.000 107.864 108.800 -1.560 0.000 5.446 551 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 551 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 551 G CA 0.000 44.157 45.100 -1.572 0.000 0.502 551 G HN 0.000 nan 8.290 nan 0.000 0.925