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 3ae1_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.679 174.600 0.132 0.000 1.055 10 S CA 0.000 58.293 58.200 0.155 0.000 1.107 10 S CB 0.000 63.260 63.200 0.100 0.000 0.593 11 T N 0.790 115.407 114.554 0.105 0.000 6.387 11 T HA -0.270 -0.846 4.350 -8.210 0.000 0.290 11 T C 0.989 175.707 174.700 0.029 0.000 1.901 11 T CA 2.235 64.368 62.100 0.054 0.000 3.035 11 T CB -0.843 68.043 68.868 0.030 0.000 1.917 11 T HN 0.665 nan 8.240 nan 0.000 1.121 12 Q N -0.813 119.009 119.800 0.038 0.000 2.342 12 Q HA 0.285 -0.300 4.340 -8.210 0.000 0.261 12 Q C -0.315 175.544 176.000 -0.235 0.000 0.841 12 Q CA 0.366 56.100 55.803 -0.115 0.000 0.969 12 Q CB 0.719 29.352 28.738 -0.175 0.000 1.136 12 Q HN 0.643 nan 8.270 nan 0.000 0.528 13 Y N 2.541 122.854 120.300 0.022 0.000 2.331 13 Y HA 0.512 0.137 4.550 -8.209 0.000 0.338 13 Y C -2.001 173.897 175.900 -0.005 0.000 0.976 13 Y CA -2.762 55.345 58.100 0.012 0.000 1.137 13 Y CB 1.076 39.543 38.460 0.013 0.000 1.172 13 Y HN 0.094 nan 8.280 nan 0.000 0.478 14 P HA 0.132 nan 4.420 nan 0.000 0.276 14 P C -0.896 176.412 177.300 0.013 0.000 1.243 14 P CA -0.199 62.928 63.100 0.044 0.000 0.768 14 P CB 1.120 32.833 31.700 0.020 0.000 0.856 15 V N 2.051 121.962 119.914 -0.005 0.000 2.370 15 V HA 0.478 -0.328 4.120 -8.210 0.000 0.283 15 V C -0.077 175.973 176.094 -0.073 0.000 1.023 15 V CA -0.831 61.444 62.300 -0.041 0.000 0.857 15 V CB 1.605 33.425 31.823 -0.005 0.000 0.985 15 V HN 0.222 nan 8.190 nan 0.000 0.443 16 V N 4.018 123.846 119.914 -0.144 0.000 2.409 16 V HA 0.431 -0.374 4.120 -8.210 0.000 0.291 16 V C -0.479 175.575 176.094 -0.067 0.000 1.020 16 V CA -0.260 61.971 62.300 -0.115 0.000 0.848 16 V CB 1.442 33.203 31.823 -0.104 0.000 0.990 16 V HN 0.997 nan 8.190 nan 0.000 0.430 17 D N 3.088 123.425 120.400 -0.105 0.000 2.210 17 D HA 0.469 0.183 4.640 -8.210 0.000 0.249 17 D C -0.311 175.880 176.300 -0.183 0.000 1.078 17 D CA -0.143 53.824 54.000 -0.056 0.000 0.875 17 D CB 0.662 41.452 40.800 -0.016 0.000 1.175 17 D HN 0.535 nan 8.370 nan 0.000 0.440 18 H N 1.096 120.250 119.070 0.140 0.000 2.622 18 H HA 0.375 0.005 4.556 -8.210 0.000 0.363 18 H C -0.750 174.638 175.328 0.099 0.000 1.151 18 H CA -0.575 55.571 56.048 0.163 0.000 1.184 18 H CB 1.943 31.926 29.762 0.369 0.000 1.643 18 H HN 0.431 nan 8.280 nan 0.000 0.531 19 E N 2.705 122.915 120.200 0.016 0.000 2.165 19 E HA 0.405 -0.171 4.350 -8.210 0.000 0.266 19 E C -1.409 175.000 176.600 -0.319 0.000 0.889 19 E CA -0.363 56.003 56.400 -0.057 0.000 0.756 19 E CB 0.982 30.636 29.700 -0.076 0.000 1.131 19 E HN 0.297 nan 8.360 nan 0.000 0.411 20 F N 1.319 121.314 119.950 0.075 0.000 2.675 20 F HA 0.273 -0.125 4.527 -8.209 0.000 0.324 20 F C 0.935 176.775 175.800 0.065 0.000 1.106 20 F CA -0.737 57.303 58.000 0.067 0.000 0.970 20 F CB 1.643 40.673 39.000 0.051 0.000 1.385 20 F HN 0.392 nan 8.300 nan 0.000 0.489 21 D N 0.370 120.961 120.400 0.318 0.000 2.240 21 D HA 0.282 -0.004 4.640 -8.210 0.000 0.206 21 D C -0.032 176.369 176.300 0.168 0.000 0.963 21 D CA 0.895 55.052 54.000 0.261 0.000 0.863 21 D CB 0.533 41.570 40.800 0.396 0.000 0.973 21 D HN 0.401 nan 8.370 nan 0.000 0.501 22 A N 0.092 122.985 122.820 0.122 0.000 2.520 22 A HA 0.563 -0.042 4.320 -8.210 0.000 0.298 22 A C -1.255 176.272 177.584 -0.096 0.000 1.051 22 A CA -0.547 51.466 52.037 -0.039 0.000 0.690 22 A CB 1.829 20.724 19.000 -0.174 0.000 1.281 22 A HN -0.121 nan 8.150 nan 0.000 0.402 23 V N 1.786 121.624 119.914 -0.127 0.000 2.487 23 V HA 0.525 -0.280 4.120 -8.210 0.000 0.298 23 V C -0.499 175.490 176.094 -0.174 0.000 1.028 23 V CA -0.597 61.587 62.300 -0.192 0.000 0.860 23 V CB 1.586 33.310 31.823 -0.164 0.000 0.991 23 V HN 0.687 nan 8.190 nan 0.000 0.427 24 V N 5.515 125.309 119.914 -0.200 0.000 2.357 24 V HA 0.358 -0.448 4.120 -8.210 0.000 0.284 24 V C -0.031 175.980 176.094 -0.139 0.000 1.018 24 V CA -0.621 61.584 62.300 -0.157 0.000 0.841 24 V CB 1.762 33.488 31.823 -0.161 0.000 0.991 24 V HN 0.626 nan 8.190 nan 0.000 0.437 25 V N 4.702 124.549 119.914 -0.111 0.000 2.368 25 V HA 0.828 0.022 4.120 -8.210 0.000 0.266 25 V C 0.725 176.773 176.094 -0.077 0.000 1.045 25 V CA 0.511 62.749 62.300 -0.104 0.000 0.899 25 V CB 0.409 32.167 31.823 -0.109 0.000 1.006 25 V HN 1.247 nan 8.190 nan 0.000 0.470 26 G N 4.015 112.779 108.800 -0.060 0.000 2.764 26 G HA2 0.398 -0.567 3.960 -8.210 0.000 0.678 26 G HA3 0.398 -0.567 3.960 -8.210 0.000 0.678 26 G C -0.331 174.568 174.900 -0.001 0.000 1.341 26 G CA -0.217 44.864 45.100 -0.032 0.000 0.836 26 G HN 1.335 nan 8.290 nan 0.000 0.632 27 A N 1.038 123.865 122.820 0.012 0.000 2.616 27 A HA 0.795 0.190 4.320 -8.210 0.000 0.294 27 A C 1.337 178.924 177.584 0.005 0.000 1.091 27 A CA 1.170 53.228 52.037 0.034 0.000 0.971 27 A CB -0.112 18.906 19.000 0.030 0.000 1.222 27 A HN 2.126 nan 8.150 nan 0.000 0.521 28 G N -0.481 108.330 108.800 0.017 0.000 2.514 28 G HA2 0.384 -0.581 3.960 -8.210 0.000 0.245 28 G HA3 0.384 -0.581 3.960 -8.210 0.000 0.245 28 G C 1.186 176.113 174.900 0.044 0.000 1.488 28 G CA 0.269 45.384 45.100 0.026 0.000 1.063 28 G HN 0.538 nan 8.290 nan 0.000 0.557 29 G N -0.136 108.699 108.800 0.058 0.000 2.433 29 G HA2 0.052 -0.914 3.960 -8.210 0.000 0.216 29 G HA3 0.052 -0.914 3.960 -8.210 0.000 0.216 29 G C 2.010 176.961 174.900 0.085 0.000 1.186 29 G CA 2.022 47.170 45.100 0.079 0.000 0.779 29 G HN 0.887 nan 8.290 nan 0.000 0.543 30 A N 0.970 123.837 122.820 0.078 0.000 1.845 30 A HA 0.152 -0.453 4.320 -8.210 0.000 0.215 30 A C 2.776 180.377 177.584 0.028 0.000 1.195 30 A CA 2.294 54.372 52.037 0.068 0.000 0.616 30 A CB -1.392 17.655 19.000 0.078 0.000 0.832 30 A HN 0.642 nan 8.150 nan 0.000 0.443 31 G N -0.123 108.691 108.800 0.023 0.000 2.553 31 G HA2 -0.254 -1.220 3.960 -8.210 0.000 0.218 31 G HA3 -0.254 -1.220 3.960 -8.210 0.000 0.218 31 G C 1.425 176.329 174.900 0.007 0.000 1.195 31 G CA 1.485 46.586 45.100 0.002 0.000 0.779 31 G HN 0.338 nan 8.290 nan 0.000 0.577 32 L N 0.497 121.765 121.223 0.075 0.000 1.990 32 L HA -0.042 -0.627 4.340 -8.210 0.000 0.213 32 L C 2.829 179.729 176.870 0.050 0.000 1.072 32 L CA 2.025 56.966 54.840 0.169 0.000 0.755 32 L CB -0.937 41.270 42.059 0.245 0.000 0.889 32 L HN 0.237 nan 8.230 nan 0.000 0.432 33 R N -0.248 120.225 120.500 -0.045 0.000 2.105 33 R HA -0.114 -0.699 4.340 -8.210 0.000 0.239 33 R C 2.107 178.088 176.300 -0.532 0.000 1.135 33 R CA 1.652 57.535 56.100 -0.361 0.000 0.967 33 R CB -0.639 29.606 30.300 -0.092 0.000 0.861 33 R HN 0.369 nan 8.270 nan 0.000 0.442 34 A N -0.075 122.578 122.820 -0.279 0.000 1.929 34 A HA 0.083 -0.523 4.320 -8.210 0.000 0.216 34 A C 2.328 179.731 177.584 -0.302 0.000 1.176 34 A CA 1.429 53.305 52.037 -0.268 0.000 0.628 34 A CB -0.925 17.975 19.000 -0.167 0.000 0.816 34 A HN 0.464 nan 8.150 nan 0.000 0.444 35 A N 0.150 122.832 122.820 -0.230 0.000 1.845 35 A HA -0.006 -0.612 4.320 -8.210 0.000 0.215 35 A C 2.000 179.476 177.584 -0.180 0.000 1.195 35 A CA 1.750 53.677 52.037 -0.184 0.000 0.616 35 A CB -0.975 17.969 19.000 -0.093 0.000 0.832 35 A HN 1.091 nan 8.150 nan 0.000 0.443 36 F N 0.152 120.008 119.950 -0.156 0.000 2.558 36 F HA 0.275 -0.123 4.527 -8.209 0.000 0.298 36 F C 1.907 177.433 175.800 -0.457 0.000 1.119 36 F CA 0.538 58.357 58.000 -0.303 0.000 1.451 36 F CB -1.015 37.857 39.000 -0.213 0.000 1.091 36 F HN 0.099 nan 8.300 nan 0.000 0.563 37 G N 1.637 109.941 108.800 -0.828 0.000 2.408 37 G HA2 -0.149 -1.115 3.960 -8.210 0.000 0.217 37 G HA3 -0.149 -1.115 3.960 -8.210 0.000 0.217 37 G C 1.701 176.422 174.900 -0.299 0.000 1.150 37 G CA 1.035 45.802 45.100 -0.556 0.000 0.776 37 G HN 0.464 nan 8.290 nan 0.000 0.542 38 L N 0.583 121.642 121.223 -0.274 0.000 2.056 38 L HA -0.054 -0.639 4.340 -8.210 0.000 0.207 38 L C 3.174 180.051 176.870 0.011 0.000 1.078 38 L CA 1.220 55.961 54.840 -0.165 0.000 0.749 38 L CB -0.234 41.682 42.059 -0.238 0.000 0.901 38 L HN 0.160 nan 8.230 nan 0.000 0.433 39 S N -0.868 114.792 115.700 -0.066 0.000 2.383 39 S HA -0.213 -0.669 4.470 -8.210 0.000 0.227 39 S C 1.847 176.432 174.600 -0.024 0.000 1.026 39 S CA 1.034 59.235 58.200 0.001 0.000 0.981 39 S CB -0.153 63.054 63.200 0.011 0.000 0.818 39 S HN 0.388 nan 8.310 nan 0.000 0.472 40 E N 1.101 121.155 120.200 -0.243 0.000 2.160 40 E HA -0.141 -0.717 4.350 -8.210 0.000 0.195 40 E C 1.548 178.177 176.600 0.047 0.000 0.991 40 E CA 1.037 57.368 56.400 -0.114 0.000 0.810 40 E CB -0.128 29.464 29.700 -0.181 0.000 0.742 40 E HN 0.495 nan 8.360 nan 0.000 0.466 41 A N -0.270 122.585 122.820 0.059 0.000 2.302 41 A HA 0.297 -0.308 4.320 -8.210 0.000 0.219 41 A C 1.355 178.998 177.584 0.098 0.000 1.243 41 A CA 0.728 52.840 52.037 0.125 0.000 0.856 41 A CB -0.258 18.864 19.000 0.204 0.000 0.893 41 A HN 0.393 nan 8.150 nan 0.000 0.491 42 G N -1.588 107.253 108.800 0.067 0.000 2.149 42 G HA2 -0.248 -1.214 3.960 -8.210 0.000 0.235 42 G HA3 -0.248 -1.214 3.960 -8.210 0.000 0.235 42 G C -0.170 174.646 174.900 -0.139 0.000 1.018 42 G CA 0.055 45.134 45.100 -0.034 0.000 0.728 42 G HN 0.319 nan 8.290 nan 0.000 0.508 43 F N 0.535 120.482 119.950 -0.006 0.000 2.404 43 F HA 0.379 -0.019 4.527 -8.209 0.000 0.339 43 F C 0.945 176.763 175.800 0.030 0.000 1.105 43 F CA -0.791 57.209 58.000 0.000 0.000 1.087 43 F CB 1.219 40.200 39.000 -0.031 0.000 1.143 43 F HN 0.099 nan 8.300 nan 0.000 0.491 44 N N 2.397 121.238 118.700 0.234 0.000 2.421 44 N HA 0.090 -0.096 4.740 -8.210 0.000 0.260 44 N C -1.114 174.598 175.510 0.337 0.000 1.173 44 N CA -0.094 53.104 53.050 0.246 0.000 0.960 44 N CB 0.245 38.846 38.487 0.189 0.000 1.273 44 N HN 0.562 nan 8.380 nan 0.000 0.497 45 T N 1.670 116.344 114.554 0.201 0.000 2.859 45 T HA 0.583 0.007 4.350 -8.210 0.000 0.281 45 T C -0.254 174.305 174.700 -0.235 0.000 1.005 45 T CA -0.692 61.411 62.100 0.004 0.000 1.025 45 T CB 1.795 70.617 68.868 -0.077 0.000 0.977 45 T HN 0.480 nan 8.240 nan 0.000 0.458 46 A N 0.951 123.439 122.820 -0.553 0.000 2.340 46 A HA 0.694 0.089 4.320 -8.210 0.000 0.331 46 A C -0.364 176.933 177.584 -0.478 0.000 1.140 46 A CA -0.742 50.841 52.037 -0.756 0.000 0.801 46 A CB 0.960 19.135 19.000 -1.375 0.000 1.234 46 A HN 0.969 nan 8.150 nan 0.000 0.469 47 C N 3.122 122.165 119.300 -0.428 0.000 2.344 47 C HA 0.636 0.170 4.460 -8.210 0.000 0.326 47 C C -0.632 174.292 174.990 -0.109 0.000 1.201 47 C CA -0.322 58.512 59.018 -0.307 0.000 1.410 47 C CB -0.623 26.848 27.740 -0.448 0.000 2.070 47 C HN 0.678 nan 8.230 nan 0.000 0.445 48 V N 5.706 125.549 119.914 -0.117 0.000 2.407 48 V HA 0.738 -0.068 4.120 -8.210 0.000 0.278 48 V C 0.456 176.542 176.094 -0.014 0.000 1.037 48 V CA 0.098 62.354 62.300 -0.073 0.000 0.900 48 V CB 1.552 33.265 31.823 -0.184 0.000 0.983 48 V HN 0.920 nan 8.190 nan 0.000 0.459 49 T N 3.444 118.036 114.554 0.064 0.000 3.041 49 T HA 0.329 -0.247 4.350 -8.210 0.000 0.321 49 T C 0.529 175.289 174.700 0.099 0.000 1.184 49 T CA -0.526 61.606 62.100 0.053 0.000 1.050 49 T CB 1.589 70.490 68.868 0.056 0.000 1.159 49 T HN 0.855 nan 8.240 nan 0.000 0.469 50 K N 3.712 124.140 120.400 0.046 0.000 2.305 50 K HA 0.294 -0.312 4.320 -8.210 0.000 0.199 50 K C 0.441 177.109 176.600 0.113 0.000 1.047 50 K CA 0.291 56.627 56.287 0.083 0.000 0.976 50 K CB 0.134 32.671 32.500 0.062 0.000 0.765 50 K HN 0.418 nan 8.250 nan 0.000 0.474 51 L N 0.832 122.119 121.223 0.107 0.000 2.332 51 L HA 0.367 -0.218 4.340 -8.210 0.000 0.269 51 L C -0.284 176.677 176.870 0.152 0.000 1.016 51 L CA -1.525 53.402 54.840 0.146 0.000 0.809 51 L CB 0.963 43.092 42.059 0.117 0.000 1.280 51 L HN -0.054 nan 8.230 nan 0.000 0.447 52 F N 2.933 122.905 119.950 0.036 0.000 2.538 52 F HA 0.183 -0.215 4.527 -8.209 0.000 0.371 52 F C -1.476 174.241 175.800 -0.137 0.000 1.087 52 F CA -1.466 56.506 58.000 -0.047 0.000 1.250 52 F CB 0.741 39.705 39.000 -0.059 0.000 1.110 52 F HN 0.308 nan 8.300 nan 0.000 0.570 53 P HA -0.258 nan 4.420 nan 0.000 0.222 53 P C 1.599 178.579 177.300 -0.534 0.000 1.157 53 P CA 2.626 65.317 63.100 -0.681 0.000 0.905 53 P CB -0.091 31.011 31.700 -0.997 0.000 0.792 54 T N -0.794 113.353 114.554 -0.678 0.000 2.833 54 T HA -0.117 -0.693 4.350 -8.210 0.000 0.269 54 T C 1.586 176.236 174.700 -0.084 0.000 1.054 54 T CA 1.030 62.901 62.100 -0.381 0.000 1.135 54 T CB -0.373 68.336 68.868 -0.264 0.000 0.869 54 T HN 0.095 nan 8.240 nan 0.000 0.466 55 R N 1.640 122.167 120.500 0.046 0.000 2.236 55 R HA 0.191 -0.395 4.340 -8.210 0.000 0.208 55 R C 1.156 177.506 176.300 0.084 0.000 1.036 55 R CA 0.045 56.209 56.100 0.106 0.000 1.001 55 R CB -0.705 29.693 30.300 0.163 0.000 0.896 55 R HN 0.275 nan 8.270 nan 0.000 0.464 56 S N 1.256 116.975 115.700 0.032 0.000 2.550 56 S HA -0.099 -0.554 4.470 -8.210 0.000 0.285 56 S C 1.143 175.803 174.600 0.100 0.000 1.326 56 S CA -0.094 58.140 58.200 0.056 0.000 1.037 56 S CB 0.468 63.675 63.200 0.012 0.000 0.838 56 S HN 0.400 nan 8.310 nan 0.000 0.519 57 H N 2.211 121.294 119.070 0.022 0.000 2.489 57 H HA -0.083 -0.452 4.556 -8.210 0.000 0.295 57 H C 1.799 177.146 175.328 0.031 0.000 1.082 57 H CA 2.078 58.139 56.048 0.023 0.000 1.295 57 H CB -0.479 29.284 29.762 0.003 0.000 1.380 57 H HN 0.626 nan 8.280 nan 0.000 0.548 58 T N -0.084 114.475 114.554 0.008 0.000 2.897 58 T HA -0.163 -0.739 4.350 -8.210 0.000 0.271 58 T C 2.191 176.867 174.700 -0.040 0.000 1.084 58 T CA 1.364 63.447 62.100 -0.028 0.000 1.123 58 T CB -0.514 68.368 68.868 0.023 0.000 0.865 58 T HN 0.449 nan 8.240 nan 0.000 0.496 59 V N 0.654 120.561 119.914 -0.012 0.000 2.490 59 V HA -0.049 -0.855 4.120 -8.210 0.000 0.250 59 V C 2.712 178.821 176.094 0.025 0.000 1.061 59 V CA 1.374 63.719 62.300 0.074 0.000 1.064 59 V CB -1.584 30.331 31.823 0.154 0.000 0.670 59 V HN 0.428 nan 8.190 nan 0.000 0.461 60 A N 0.985 123.729 122.820 -0.127 0.000 2.070 60 A HA 0.353 -0.253 4.320 -8.210 0.000 0.220 60 A C 1.642 179.158 177.584 -0.115 0.000 1.159 60 A CA 0.923 52.861 52.037 -0.166 0.000 0.656 60 A CB -0.943 17.833 19.000 -0.373 0.000 0.800 60 A HN 1.074 nan 8.150 nan 0.000 0.453 61 A N -0.122 122.638 122.820 -0.100 0.000 2.540 61 A HA 0.352 -0.254 4.320 -8.210 0.000 0.239 61 A C 0.914 178.514 177.584 0.027 0.000 1.061 61 A CA 0.710 52.734 52.037 -0.022 0.000 0.758 61 A CB 0.004 19.000 19.000 -0.006 0.000 0.991 61 A HN 0.696 nan 8.150 nan 0.000 0.502 62 Q N 2.044 121.877 119.800 0.054 0.000 2.104 62 Q HA 0.150 -0.436 4.340 -8.210 0.000 0.240 62 Q C 1.348 177.421 176.000 0.122 0.000 0.743 62 Q CA 0.354 56.200 55.803 0.072 0.000 0.920 62 Q CB -0.054 28.714 28.738 0.049 0.000 1.198 62 Q HN 0.701 nan 8.270 nan 0.000 0.465 63 G N 1.814 110.715 108.800 0.167 0.000 2.637 63 G HA2 0.309 -0.656 3.960 -8.210 0.000 0.215 63 G HA3 0.309 -0.656 3.960 -8.210 0.000 0.215 63 G C 0.619 175.564 174.900 0.076 0.000 1.289 63 G CA 1.093 46.360 45.100 0.279 0.000 0.816 63 G HN 0.618 nan 8.290 nan 0.000 0.580 64 G N -1.770 106.972 108.800 -0.097 0.000 2.325 64 G HA2 0.378 -0.588 3.960 -8.210 0.000 0.295 64 G HA3 0.378 -0.588 3.960 -8.210 0.000 0.295 64 G C -1.972 172.864 174.900 -0.107 0.000 1.274 64 G CA -0.317 44.728 45.100 -0.092 0.000 0.857 64 G HN 0.513 nan 8.290 nan 0.000 0.499 65 I N 1.514 122.063 120.570 -0.035 0.000 2.468 65 I HA 0.391 -0.365 4.170 -8.210 0.000 0.285 65 I C -1.114 174.967 176.117 -0.060 0.000 1.039 65 I CA -0.909 60.388 61.300 -0.006 0.000 1.074 65 I CB 1.457 39.523 38.000 0.110 0.000 1.228 65 I HN 0.387 nan 8.210 nan 0.000 0.436 66 N N 6.376 125.021 118.700 -0.092 0.000 2.470 66 N HA 0.581 0.395 4.740 -8.210 0.000 0.268 66 N C -0.482 174.920 175.510 -0.180 0.000 1.136 66 N CA -0.004 52.941 53.050 -0.174 0.000 0.961 66 N CB 1.558 39.941 38.487 -0.173 0.000 1.067 66 N HN 0.651 nan 8.380 nan 0.000 0.468 67 A N 0.838 123.512 122.820 -0.243 0.000 2.517 67 A HA 0.680 0.075 4.320 -8.210 0.000 0.297 67 A C -0.539 176.929 177.584 -0.194 0.000 1.050 67 A CA -0.816 51.106 52.037 -0.192 0.000 0.694 67 A CB 1.018 19.936 19.000 -0.137 0.000 1.277 67 A HN 0.542 nan 8.150 nan 0.000 0.400 68 A N 2.268 125.017 122.820 -0.118 0.000 3.077 68 A HA 0.466 -0.139 4.320 -8.210 0.000 0.255 68 A C 0.763 178.317 177.584 -0.051 0.000 1.728 68 A CA -0.121 51.882 52.037 -0.056 0.000 1.383 68 A CB -1.019 18.007 19.000 0.044 0.000 1.097 68 A HN 0.867 nan 8.150 nan 0.000 0.634 69 L N 0.585 121.757 121.223 -0.085 0.000 2.313 69 L HA 0.086 -0.500 4.340 -8.210 0.000 0.214 69 L C 1.829 178.660 176.870 -0.065 0.000 1.119 69 L CA 0.912 55.700 54.840 -0.087 0.000 0.809 69 L CB -0.047 41.937 42.059 -0.125 0.000 0.933 69 L HN 0.802 nan 8.230 nan 0.000 0.449 70 G N 0.334 109.103 108.800 -0.052 0.000 2.246 70 G HA2 -0.289 -1.255 3.960 -8.210 0.000 0.273 70 G HA3 -0.289 -1.255 3.960 -8.210 0.000 0.273 70 G C 0.556 175.440 174.900 -0.026 0.000 1.055 70 G CA 0.476 45.559 45.100 -0.028 0.000 0.851 70 G HN 0.336 nan 8.290 nan 0.000 0.500 71 N N -0.609 118.066 118.700 -0.041 0.000 2.376 71 N HA 0.077 -0.108 4.740 -8.210 0.000 0.177 71 N C 2.303 177.798 175.510 -0.025 0.000 1.024 71 N CA 1.327 54.354 53.050 -0.038 0.000 0.893 71 N CB -0.086 38.367 38.487 -0.057 0.000 0.980 71 N HN 0.535 nan 8.380 nan 0.000 0.439 72 M N 0.049 119.634 119.600 -0.025 0.000 2.751 72 M HA 0.113 -0.332 4.480 -8.210 0.000 0.252 72 M C 0.668 176.968 176.300 -0.000 0.000 1.264 72 M CA 0.763 56.043 55.300 -0.034 0.000 1.237 72 M CB -0.299 32.247 32.600 -0.089 0.000 1.242 72 M HN 0.004 nan 8.290 nan 0.000 0.525 73 E N 1.868 122.096 120.200 0.048 0.000 2.339 73 E HA 0.319 -0.256 4.350 -8.210 0.000 0.262 73 E C -1.049 175.601 176.600 0.083 0.000 0.934 73 E CA -0.582 55.864 56.400 0.077 0.000 0.802 73 E CB 1.402 31.178 29.700 0.127 0.000 1.275 73 E HN 0.299 nan 8.360 nan 0.000 0.427 74 E N 1.332 121.588 120.200 0.093 0.000 2.376 74 E HA 0.177 -0.399 4.350 -8.210 0.000 0.266 74 E C -0.856 175.823 176.600 0.132 0.000 1.009 74 E CA -0.094 56.352 56.400 0.077 0.000 0.902 74 E CB 0.670 30.410 29.700 0.067 0.000 0.972 74 E HN 0.373 nan 8.360 nan 0.000 0.439 75 D N 2.115 122.506 120.400 -0.015 0.000 2.581 75 D HA 0.329 0.043 4.640 -8.210 0.000 0.232 75 D C -1.584 174.421 176.300 -0.491 0.000 1.143 75 D CA -0.762 53.174 54.000 -0.107 0.000 0.881 75 D CB 1.662 42.468 40.800 0.010 0.000 1.500 75 D HN 0.477 nan 8.370 nan 0.000 0.458 76 N N 1.741 119.874 118.700 -0.945 0.000 2.258 76 N HA 0.140 -0.046 4.740 -8.210 0.000 0.299 76 N C 1.108 176.285 175.510 -0.555 0.000 1.047 76 N CA -0.769 51.697 53.050 -0.975 0.000 0.814 76 N CB 1.067 38.509 38.487 -1.742 0.000 1.413 76 N HN 0.610 nan 8.380 nan 0.000 0.478 77 W N 4.018 125.145 121.300 -0.289 0.000 2.421 77 W HA -0.039 -0.305 4.660 -8.211 0.000 0.270 77 W C 0.634 177.144 176.519 -0.014 0.000 1.233 77 W CA 0.168 57.464 57.345 -0.082 0.000 1.226 77 W CB -0.391 29.040 29.460 -0.050 0.000 1.121 77 W HN 0.470 nan 8.180 nan 0.000 0.579 78 R N -0.394 119.642 120.500 -0.773 0.000 2.148 78 R HA -0.116 -0.702 4.340 -8.210 0.000 0.227 78 R C 2.049 178.286 176.300 -0.106 0.000 1.103 78 R CA 1.877 57.629 56.100 -0.581 0.000 0.983 78 R CB -0.621 29.217 30.300 -0.771 0.000 0.874 78 R HN 0.106 nan 8.270 nan 0.000 0.451 79 W N 0.108 121.161 121.300 -0.411 0.000 2.418 79 W HA -0.075 -0.341 4.660 -8.211 0.000 0.292 79 W C 2.050 178.578 176.519 0.014 0.000 1.213 79 W CA 0.580 57.677 57.345 -0.414 0.000 1.283 79 W CB -1.235 27.976 29.460 -0.415 0.000 1.119 79 W HN 0.316 nan 8.180 nan 0.000 0.542 80 H N -1.079 118.120 119.070 0.215 0.000 2.423 80 H HA -0.203 -0.572 4.556 -8.209 0.000 0.297 80 H C 2.180 177.645 175.328 0.228 0.000 1.075 80 H CA 1.569 57.737 56.048 0.200 0.000 1.342 80 H CB -0.407 29.464 29.762 0.183 0.000 1.395 80 H HN 0.059 nan 8.280 nan 0.000 0.530 81 F N 0.848 120.852 119.950 0.090 0.000 2.069 81 F HA -0.290 -0.688 4.527 -8.207 0.000 0.298 81 F C 2.409 178.253 175.800 0.074 0.000 1.113 81 F CA 1.872 59.902 58.000 0.050 0.000 1.214 81 F CB -1.012 38.059 39.000 0.117 0.000 0.978 81 F HN 0.157 nan 8.300 nan 0.000 0.474 82 Y N 1.445 121.809 120.300 0.106 0.000 2.165 82 Y HA -0.270 -0.643 4.550 -8.206 0.000 0.286 82 Y C 2.167 177.993 175.900 -0.123 0.000 1.155 82 Y CA 2.215 60.332 58.100 0.028 0.000 1.164 82 Y CB -0.698 37.979 38.460 0.362 0.000 0.978 82 Y HN 0.134 nan 8.280 nan 0.000 0.513 83 D N -1.034 119.400 120.400 0.055 0.000 2.178 83 D HA -0.125 -0.410 4.640 -8.210 0.000 0.202 83 D C 2.073 178.275 176.300 -0.163 0.000 0.974 83 D CA 1.745 55.746 54.000 0.002 0.000 0.841 83 D CB -0.349 40.554 40.800 0.171 0.000 0.953 83 D HN 0.400 nan 8.370 nan 0.000 0.478 84 T N 0.464 114.872 114.554 -0.243 0.000 2.770 84 T HA -0.095 -0.671 4.350 -8.210 0.000 0.263 84 T C 2.118 176.572 174.700 -0.409 0.000 1.039 84 T CA 0.807 62.743 62.100 -0.274 0.000 1.142 84 T CB -0.433 68.257 68.868 -0.297 0.000 0.868 84 T HN 0.011 nan 8.240 nan 0.000 0.435 85 V N 1.473 121.012 119.914 -0.625 0.000 2.427 85 V HA -0.111 -0.917 4.120 -8.210 0.000 0.248 85 V C 2.428 177.880 176.094 -1.070 0.000 1.051 85 V CA 1.867 63.704 62.300 -0.771 0.000 1.048 85 V CB -0.467 30.841 31.823 -0.858 0.000 0.666 85 V HN 0.376 nan 8.190 nan 0.000 0.456 86 K N -0.210 119.544 120.400 -1.077 0.000 2.025 86 K HA -0.092 -0.698 4.320 -8.210 0.000 0.207 86 K C 2.126 178.339 176.600 -0.646 0.000 1.049 86 K CA 1.587 57.164 56.287 -1.183 0.000 0.933 86 K CB -0.812 31.179 32.500 -0.848 0.000 0.714 86 K HN 0.578 nan 8.250 nan 0.000 0.438 87 G N 0.704 109.300 108.800 -0.340 0.000 2.442 87 G HA2 -0.291 -1.257 3.960 -8.210 0.000 0.219 87 G HA3 -0.291 -1.257 3.960 -8.210 0.000 0.219 87 G C 1.434 176.238 174.900 -0.159 0.000 1.141 87 G CA 1.310 46.332 45.100 -0.131 0.000 0.763 87 G HN 0.514 nan 8.290 nan 0.000 0.554 88 S N -0.081 115.460 115.700 -0.265 0.000 2.595 88 S HA -0.033 -0.488 4.470 -8.210 0.000 0.235 88 S C 1.166 175.653 174.600 -0.188 0.000 0.974 88 S CA 1.176 59.252 58.200 -0.206 0.000 0.942 88 S CB -0.144 62.915 63.200 -0.235 0.000 0.766 88 S HN 0.342 nan 8.310 nan 0.000 0.536 89 D N 0.242 120.506 120.400 -0.228 0.000 2.837 89 D HA -0.200 -0.486 4.640 -8.210 0.000 0.230 89 D C -0.404 176.009 176.300 0.188 0.000 1.152 89 D CA 1.097 55.102 54.000 0.009 0.000 0.736 89 D CB -1.952 38.911 40.800 0.105 0.000 1.084 89 D HN 0.721 nan 8.370 nan 0.000 0.429 90 W N -2.439 118.802 121.300 -0.099 0.000 4.141 90 W HA -0.317 -0.588 4.660 -8.219 0.000 0.336 90 W C 1.240 177.704 176.519 -0.091 0.000 1.258 90 W CA 0.630 57.910 57.345 -0.108 0.000 0.747 90 W CB -2.055 27.324 29.460 -0.136 0.000 2.338 90 W HN 0.299 nan 8.180 nan 0.000 1.410 91 L N 0.112 121.339 121.223 0.007 0.000 2.616 91 L HA 0.387 -0.199 4.340 -8.210 0.000 0.229 91 L C 1.665 178.518 176.870 -0.029 0.000 1.110 91 L CA 1.325 56.121 54.840 -0.074 0.000 0.884 91 L CB 0.013 41.964 42.059 -0.181 0.000 1.115 91 L HN -0.028 nan 8.230 nan 0.000 0.481 92 G N 0.050 108.822 108.800 -0.047 0.000 2.364 92 G HA2 0.138 -0.828 3.960 -8.210 0.000 0.267 92 G HA3 0.138 -0.828 3.960 -8.210 0.000 0.267 92 G C -0.786 174.138 174.900 0.039 0.000 1.233 92 G CA -0.481 44.606 45.100 -0.022 0.000 0.885 92 G HN 0.117 nan 8.290 nan 0.000 0.490 93 D N 2.600 123.070 120.400 0.117 0.000 2.346 93 D HA 0.030 -0.255 4.640 -8.210 0.000 0.260 93 D C 1.282 177.666 176.300 0.140 0.000 1.252 93 D CA 0.257 54.350 54.000 0.156 0.000 0.895 93 D CB 1.687 42.596 40.800 0.182 0.000 1.097 93 D HN 0.519 nan 8.370 nan 0.000 0.489 94 Q N 1.268 121.170 119.800 0.170 0.000 2.297 94 Q HA -0.125 -0.710 4.340 -8.210 0.000 0.204 94 Q C 1.430 177.640 176.000 0.351 0.000 0.962 94 Q CA 0.712 56.671 55.803 0.260 0.000 0.879 94 Q CB 0.236 29.168 28.738 0.323 0.000 0.947 94 Q HN 0.521 nan 8.270 nan 0.000 0.462 95 D N 0.514 121.051 120.400 0.228 0.000 2.178 95 D HA -0.145 -0.431 4.640 -8.210 0.000 0.202 95 D C 1.506 177.886 176.300 0.135 0.000 0.974 95 D CA 1.412 55.485 54.000 0.122 0.000 0.841 95 D CB -0.050 40.758 40.800 0.015 0.000 0.953 95 D HN 0.184 nan 8.370 nan 0.000 0.478 96 A N 0.115 123.082 122.820 0.245 0.000 2.081 96 A HA 0.224 -0.381 4.320 -8.210 0.000 0.214 96 A C 2.424 180.260 177.584 0.421 0.000 1.158 96 A CA 0.037 52.309 52.037 0.392 0.000 0.724 96 A CB -0.374 18.825 19.000 0.332 0.000 0.826 96 A HN 0.216 nan 8.150 nan 0.000 0.463 97 I N -1.337 119.423 120.570 0.317 0.000 2.286 97 I HA -0.200 -0.955 4.170 -8.210 0.000 0.245 97 I C 2.384 178.800 176.117 0.498 0.000 1.104 97 I CA 1.467 62.935 61.300 0.280 0.000 1.397 97 I CB -0.490 37.551 38.000 0.070 0.000 1.072 97 I HN 0.580 nan 8.210 nan 0.000 0.417 98 H N 0.168 119.536 119.070 0.497 0.000 2.289 98 H HA -0.329 -0.700 4.556 -8.210 0.000 0.296 98 H C 2.407 177.841 175.328 0.178 0.000 1.091 98 H CA 2.200 58.465 56.048 0.361 0.000 1.274 98 H CB -0.168 29.693 29.762 0.167 0.000 1.364 98 H HN 0.334 nan 8.280 nan 0.000 0.490 99 Y N 0.475 120.856 120.300 0.135 0.000 2.165 99 Y HA -0.314 -0.690 4.550 -8.210 0.000 0.286 99 Y C 2.835 178.680 175.900 -0.091 0.000 1.155 99 Y CA 2.070 60.134 58.100 -0.060 0.000 1.164 99 Y CB -0.191 38.260 38.460 -0.015 0.000 0.978 99 Y HN 0.287 nan 8.280 nan 0.000 0.513 100 M N -0.514 119.112 119.600 0.044 0.000 2.098 100 M HA -0.161 -0.607 4.480 -8.210 0.000 0.262 100 M C 2.246 178.505 176.300 -0.069 0.000 1.072 100 M CA 2.306 57.554 55.300 -0.087 0.000 1.133 100 M CB -0.389 32.287 32.600 0.128 0.000 1.344 100 M HN 0.452 nan 8.290 nan 0.000 0.414 101 T N -2.214 112.383 114.554 0.071 0.000 2.915 101 T HA -0.175 -0.750 4.350 -8.210 0.000 0.269 101 T C 1.522 176.272 174.700 0.084 0.000 1.071 101 T CA 1.602 63.810 62.100 0.179 0.000 1.132 101 T CB -0.480 68.542 68.868 0.257 0.000 0.878 101 T HN 0.610 nan 8.240 nan 0.000 0.479 102 E N 0.684 120.703 120.200 -0.301 0.000 2.046 102 E HA -0.193 -0.769 4.350 -8.210 0.000 0.190 102 E C 2.418 178.624 176.600 -0.656 0.000 0.982 102 E CA 0.875 56.654 56.400 -1.036 0.000 0.800 102 E CB -0.173 28.771 29.700 -1.259 0.000 0.756 102 E HN 0.443 nan 8.360 nan 0.000 0.449 103 Q N 0.516 120.000 119.800 -0.527 0.000 2.291 103 Q HA -0.047 -0.633 4.340 -8.210 0.000 0.205 103 Q C 1.679 177.516 176.000 -0.271 0.000 0.970 103 Q CA 1.326 56.860 55.803 -0.448 0.000 0.876 103 Q CB -0.390 27.995 28.738 -0.587 0.000 0.935 103 Q HN 0.390 nan 8.270 nan 0.000 0.455 104 A N 1.162 123.879 122.820 -0.172 0.000 1.882 104 A HA -0.232 -0.838 4.320 -8.210 0.000 0.220 104 A C -0.362 177.164 177.584 -0.097 0.000 1.253 104 A CA 2.083 54.084 52.037 -0.061 0.000 0.664 104 A CB -1.926 17.127 19.000 0.088 0.000 0.838 104 A HN 0.441 nan 8.150 nan 0.000 0.460 105 P HA -0.089 nan 4.420 nan 0.000 0.215 105 P C 1.776 178.993 177.300 -0.139 0.000 1.157 105 P CA 1.999 65.026 63.100 -0.123 0.000 0.863 105 P CB -0.216 31.419 31.700 -0.109 0.000 0.787 106 A N -0.759 121.963 122.820 -0.162 0.000 1.940 106 A HA -0.200 -0.805 4.320 -8.210 0.000 0.219 106 A C 2.417 179.916 177.584 -0.140 0.000 1.176 106 A CA 2.269 54.213 52.037 -0.156 0.000 0.631 106 A CB -1.615 17.275 19.000 -0.184 0.000 0.814 106 A HN 0.122 nan 8.150 nan 0.000 0.446 107 S N -0.867 114.752 115.700 -0.134 0.000 2.371 107 S HA -0.082 -0.537 4.470 -8.210 0.000 0.224 107 S C 1.898 176.462 174.600 -0.061 0.000 1.029 107 S CA 1.272 59.416 58.200 -0.094 0.000 0.978 107 S CB -0.288 62.863 63.200 -0.081 0.000 0.833 107 S HN 0.341 nan 8.310 nan 0.000 0.466 108 V N 1.209 121.080 119.914 -0.071 0.000 2.358 108 V HA -0.097 -0.902 4.120 -8.210 0.000 0.246 108 V C 2.269 178.301 176.094 -0.104 0.000 1.047 108 V CA 1.257 63.519 62.300 -0.063 0.000 1.035 108 V CB -0.584 31.150 31.823 -0.149 0.000 0.658 108 V HN 0.313 nan 8.190 nan 0.000 0.452 109 V N -0.037 119.792 119.914 -0.141 0.000 2.392 109 V HA -0.304 -1.110 4.120 -8.210 0.000 0.249 109 V C 2.478 178.486 176.094 -0.143 0.000 1.059 109 V CA 2.315 64.532 62.300 -0.137 0.000 1.051 109 V CB -0.540 31.206 31.823 -0.128 0.000 0.658 109 V HN 0.670 nan 8.190 nan 0.000 0.455 110 E N -0.042 120.046 120.200 -0.185 0.000 2.070 110 E HA -0.249 -0.825 4.350 -8.210 0.000 0.197 110 E C 2.215 178.504 176.600 -0.517 0.000 1.004 110 E CA 1.631 57.811 56.400 -0.367 0.000 0.805 110 E CB -0.125 29.391 29.700 -0.306 0.000 0.744 110 E HN 0.578 nan 8.360 nan 0.000 0.451 111 L N 0.766 121.900 121.223 -0.149 0.000 2.056 111 L HA -0.143 -0.729 4.340 -8.210 0.000 0.207 111 L C 2.816 179.814 176.870 0.214 0.000 1.078 111 L CA 0.963 55.869 54.840 0.109 0.000 0.749 111 L CB -0.422 41.804 42.059 0.279 0.000 0.901 111 L HN 0.184 nan 8.230 nan 0.000 0.433 112 E N 0.709 121.055 120.200 0.243 0.000 2.106 112 E HA -0.202 -0.778 4.350 -8.210 0.000 0.192 112 E C 1.680 178.361 176.600 0.135 0.000 0.984 112 E CA 1.210 57.783 56.400 0.288 0.000 0.806 112 E CB 0.008 29.788 29.700 0.135 0.000 0.750 112 E HN 0.449 nan 8.360 nan 0.000 0.458 113 N N -0.373 118.340 118.700 0.021 0.000 2.396 113 N HA -0.080 -0.265 4.740 -8.210 0.000 0.180 113 N C 1.512 177.090 175.510 0.113 0.000 1.028 113 N CA 0.598 53.657 53.050 0.016 0.000 0.893 113 N CB -0.409 38.044 38.487 -0.057 0.000 0.967 113 N HN 0.369 nan 8.380 nan 0.000 0.440 114 Y N -0.638 119.705 120.300 0.071 0.000 2.352 114 Y HA -0.001 -0.377 4.550 -8.210 0.000 0.292 114 Y C 1.613 177.526 175.900 0.022 0.000 1.136 114 Y CA 0.381 58.506 58.100 0.041 0.000 1.227 114 Y CB 0.312 38.803 38.460 0.052 0.000 0.991 114 Y HN 0.204 nan 8.280 nan 0.000 0.545 115 G N -0.017 108.901 108.800 0.197 0.000 2.234 115 G HA2 -0.220 -1.185 3.960 -8.210 0.000 0.153 115 G HA3 -0.220 -1.185 3.960 -8.210 0.000 0.153 115 G C 0.029 174.976 174.900 0.078 0.000 1.013 115 G CA -0.395 44.773 45.100 0.112 0.000 0.712 115 G HN 0.156 nan 8.290 nan 0.000 0.491 116 M N 2.816 122.470 119.600 0.089 0.000 2.303 116 M HA 0.346 -0.100 4.480 -8.210 0.000 0.350 116 M C -1.696 174.555 176.300 -0.081 0.000 1.518 116 M CA -1.124 54.136 55.300 -0.068 0.000 1.070 116 M CB 0.665 33.144 32.600 -0.201 0.000 1.910 116 M HN -0.023 nan 8.290 nan 0.000 0.458 117 P HA 0.120 nan 4.420 nan 0.000 0.225 117 P C -1.031 176.247 177.300 -0.037 0.000 1.813 117 P CA -0.046 63.036 63.100 -0.030 0.000 1.013 117 P CB -0.795 30.891 31.700 -0.023 0.000 1.961 118 F N 0.410 120.390 119.950 0.051 0.000 2.595 118 F HA -0.016 -0.415 4.527 -8.210 0.000 0.359 118 F C 1.740 177.579 175.800 0.064 0.000 1.147 118 F CA 0.757 58.795 58.000 0.063 0.000 1.341 118 F CB 0.033 39.069 39.000 0.060 0.000 1.104 118 F HN 0.081 nan 8.300 nan 0.000 0.603 119 S N 2.675 118.547 115.700 0.285 0.000 2.580 119 S HA 0.334 -0.122 4.470 -8.210 0.000 0.266 119 S C 0.103 174.822 174.600 0.198 0.000 1.354 119 S CA -0.616 57.686 58.200 0.170 0.000 1.008 119 S CB 0.439 63.699 63.200 0.099 0.000 0.898 119 S HN 0.333 nan 8.310 nan 0.000 0.555 120 R N 0.819 121.380 120.500 0.101 0.000 2.750 120 R HA 0.481 -0.105 4.340 -8.210 0.000 0.281 120 R C 0.235 176.592 176.300 0.096 0.000 0.972 120 R CA -0.645 55.519 56.100 0.107 0.000 0.912 120 R CB 1.279 31.620 30.300 0.068 0.000 1.187 120 R HN 0.843 nan 8.270 nan 0.000 0.464 121 T N -2.333 112.290 114.554 0.116 0.000 2.852 121 T HA 0.125 -0.450 4.350 -8.210 0.000 0.281 121 T C 1.137 175.869 174.700 0.054 0.000 0.993 121 T CA -0.397 61.767 62.100 0.108 0.000 0.933 121 T CB 0.961 69.891 68.868 0.103 0.000 1.187 121 T HN 0.495 nan 8.240 nan 0.000 0.559 122 E N 0.066 120.292 120.200 0.044 0.000 2.150 122 E HA -0.094 -0.670 4.350 -8.210 0.000 0.193 122 E C 1.534 178.147 176.600 0.021 0.000 0.985 122 E CA 1.275 57.690 56.400 0.025 0.000 0.814 122 E CB -0.575 29.138 29.700 0.021 0.000 0.752 122 E HN 0.637 nan 8.360 nan 0.000 0.466 123 D N -0.994 119.419 120.400 0.023 0.000 2.269 123 D HA 0.003 -0.283 4.640 -8.210 0.000 0.208 123 D C 1.152 177.461 176.300 0.017 0.000 0.963 123 D CA 1.323 55.332 54.000 0.016 0.000 0.864 123 D CB 0.171 40.978 40.800 0.012 0.000 0.936 123 D HN 0.376 nan 8.370 nan 0.000 0.505 124 G N 0.523 109.338 108.800 0.025 0.000 2.159 124 G HA2 -0.251 -1.217 3.960 -8.210 0.000 0.227 124 G HA3 -0.251 -1.217 3.960 -8.210 0.000 0.227 124 G C 0.368 175.285 174.900 0.028 0.000 0.986 124 G CA -0.024 45.092 45.100 0.027 0.000 0.651 124 G HN 0.305 nan 8.290 nan 0.000 0.523 125 K N -0.376 120.039 120.400 0.025 0.000 2.148 125 K HA 0.665 0.059 4.320 -8.210 0.000 0.239 125 K C 0.834 177.448 176.600 0.023 0.000 1.018 125 K CA -0.978 55.313 56.287 0.007 0.000 0.923 125 K CB 1.112 33.604 32.500 -0.014 0.000 1.117 125 K HN 0.159 nan 8.250 nan 0.000 0.477 126 I N 2.150 122.699 120.570 -0.034 0.000 2.741 126 I HA -0.136 -0.892 4.170 -8.210 0.000 0.288 126 I C 0.024 176.161 176.117 0.033 0.000 1.192 126 I CA 0.185 61.457 61.300 -0.048 0.000 1.426 126 I CB -0.114 37.694 38.000 -0.319 0.000 1.367 126 I HN 0.429 nan 8.210 nan 0.000 0.563 127 Y N 7.765 128.071 120.300 0.010 0.000 2.377 127 Y HA 0.237 -0.139 4.550 -8.209 0.000 0.330 127 Y C -0.195 175.724 175.900 0.031 0.000 1.108 127 Y CA -0.148 57.968 58.100 0.026 0.000 1.308 127 Y CB 0.450 38.942 38.460 0.054 0.000 1.216 127 Y HN 0.512 nan 8.280 nan 0.000 0.518 128 Q N 5.099 124.525 119.800 -0.622 0.000 2.413 128 Q HA 0.671 0.086 4.340 -8.210 0.000 0.276 128 Q C -1.170 174.383 176.000 -0.745 0.000 1.099 128 Q CA -1.324 54.167 55.803 -0.520 0.000 0.814 128 Q CB 2.769 31.368 28.738 -0.232 0.000 1.379 128 Q HN 0.658 nan 8.270 nan 0.000 0.436 129 R N -0.284 120.009 120.500 -0.346 0.000 2.766 129 R HA 0.673 0.087 4.340 -8.210 0.000 0.270 129 R C -1.580 174.821 176.300 0.168 0.000 1.035 129 R CA -0.423 55.647 56.100 -0.050 0.000 0.911 129 R CB 1.507 31.798 30.300 -0.014 0.000 1.243 129 R HN 0.785 nan 8.270 nan 0.000 0.460 130 A N 0.997 123.988 122.820 0.284 0.000 2.555 130 A HA 0.361 -0.245 4.320 -8.210 0.000 0.233 130 A C -0.883 176.842 177.584 0.234 0.000 1.060 130 A CA 0.913 53.025 52.037 0.125 0.000 0.759 130 A CB -0.160 18.874 19.000 0.056 0.000 0.995 130 A HN 0.466 nan 8.150 nan 0.000 0.506 131 F N -0.692 119.231 119.950 -0.045 0.000 2.641 131 F HA 0.508 0.108 4.527 -8.211 0.000 0.308 131 F C 0.774 176.539 175.800 -0.058 0.000 1.105 131 F CA -0.037 57.944 58.000 -0.032 0.000 0.964 131 F CB 1.645 40.635 39.000 -0.016 0.000 1.294 131 F HN 0.832 nan 8.300 nan 0.000 0.442 132 G N 1.522 110.220 108.800 -0.170 0.000 2.255 132 G HA2 0.393 -0.573 3.960 -8.210 0.000 0.267 132 G HA3 0.393 -0.573 3.960 -8.210 0.000 0.267 132 G C 0.802 175.650 174.900 -0.087 0.000 1.177 132 G CA 0.709 45.709 45.100 -0.166 0.000 1.027 132 G HN 1.650 nan 8.290 nan 0.000 0.437 133 G N 1.694 110.427 108.800 -0.112 0.000 2.184 133 G HA2 -0.198 -1.164 3.960 -8.210 0.000 0.206 133 G HA3 -0.198 -1.164 3.960 -8.210 0.000 0.206 133 G C 0.246 175.211 174.900 0.108 0.000 0.995 133 G CA 0.053 45.095 45.100 -0.097 0.000 0.651 133 G HN 0.814 nan 8.290 nan 0.000 0.511 134 Q N 0.606 120.464 119.800 0.095 0.000 2.245 134 Q HA 0.674 0.088 4.340 -8.210 0.000 0.256 134 Q C -0.029 176.011 176.000 0.067 0.000 0.942 134 Q CA 0.088 55.958 55.803 0.112 0.000 0.896 134 Q CB 1.950 30.749 28.738 0.103 0.000 1.272 134 Q HN 0.636 nan 8.270 nan 0.000 0.442 135 S N 1.291 117.032 115.700 0.069 0.000 2.618 135 S HA 0.672 0.217 4.470 -8.210 0.000 0.277 135 S C -0.859 173.680 174.600 -0.101 0.000 1.138 135 S CA -0.912 57.278 58.200 -0.016 0.000 0.844 135 S CB 0.919 64.123 63.200 0.008 0.000 1.127 135 S HN 0.465 nan 8.310 nan 0.000 0.474 136 L N 1.337 122.409 121.223 -0.251 0.000 2.387 136 L HA 0.570 -0.016 4.340 -8.210 0.000 0.266 136 L C 0.301 176.568 176.870 -1.005 0.000 1.059 136 L CA -1.079 53.401 54.840 -0.600 0.000 0.801 136 L CB 0.417 42.194 42.059 -0.471 0.000 1.223 136 L HN 0.934 nan 8.230 nan 0.000 0.456 137 K N 1.982 121.092 120.400 -2.151 0.000 3.148 137 K HA -0.247 -0.852 4.320 -8.210 0.000 0.267 137 K C -0.616 175.561 176.600 -0.705 0.000 0.996 137 K CA 0.414 55.812 56.287 -1.482 0.000 0.737 137 K CB -1.509 30.573 32.500 -0.696 0.000 1.308 137 K HN 0.524 nan 8.250 nan 0.000 0.470 138 F N -1.413 118.064 119.950 -0.790 0.000 3.067 138 F HA -0.310 -0.710 4.527 -8.211 0.000 0.279 138 F C 1.413 176.768 175.800 -0.742 0.000 0.945 138 F CA 1.418 59.006 58.000 -0.688 0.000 0.948 138 F CB -1.984 36.632 39.000 -0.640 0.000 0.898 138 F HN 0.613 nan 8.300 nan 0.000 0.746 139 G N -1.295 107.332 108.800 -0.289 0.000 2.258 139 G HA2 -0.339 -1.305 3.960 -8.210 0.000 0.233 139 G HA3 -0.339 -1.305 3.960 -8.210 0.000 0.233 139 G C 1.201 176.019 174.900 -0.136 0.000 1.006 139 G CA 0.178 45.208 45.100 -0.116 0.000 0.620 139 G HN 0.360 nan 8.290 nan 0.000 0.511 140 K N 0.960 121.244 120.400 -0.193 0.000 2.365 140 K HA 0.151 -0.454 4.320 -8.210 0.000 0.197 140 K C 2.061 178.563 176.600 -0.164 0.000 1.042 140 K CA 1.008 57.205 56.287 -0.150 0.000 0.987 140 K CB 0.085 32.504 32.500 -0.134 0.000 0.779 140 K HN 0.536 nan 8.250 nan 0.000 0.484 141 G N 0.932 109.584 108.800 -0.246 0.000 3.434 141 G HA2 0.377 -0.589 3.960 -8.210 0.000 0.258 141 G HA3 0.377 -0.589 3.960 -8.210 0.000 0.258 141 G C 0.510 175.306 174.900 -0.172 0.000 1.128 141 G CA 0.216 45.172 45.100 -0.240 0.000 0.792 141 G HN 0.404 nan 8.290 nan 0.000 0.539 142 G N -0.026 108.699 108.800 -0.125 0.000 2.741 142 G HA2 -0.097 -1.063 3.960 -8.210 0.000 0.222 142 G HA3 -0.097 -1.063 3.960 -8.210 0.000 0.222 142 G C -0.157 174.688 174.900 -0.091 0.000 1.364 142 G CA -0.166 44.887 45.100 -0.079 0.000 0.866 142 G HN 0.736 nan 8.290 nan 0.000 0.555 143 Q N 0.217 119.966 119.800 -0.084 0.000 2.300 143 Q HA 0.589 0.003 4.340 -8.210 0.000 0.280 143 Q C 0.418 176.252 176.000 -0.277 0.000 1.033 143 Q CA 1.087 56.801 55.803 -0.148 0.000 0.903 143 Q CB 0.676 29.326 28.738 -0.147 0.000 1.195 143 Q HN 1.802 nan 8.270 nan 0.000 0.386 144 A N 4.463 127.126 122.820 -0.262 0.000 2.324 144 A HA 0.527 -0.079 4.320 -8.210 0.000 0.330 144 A C -1.355 176.013 177.584 -0.360 0.000 1.165 144 A CA -0.661 51.237 52.037 -0.232 0.000 0.813 144 A CB 0.507 19.484 19.000 -0.039 0.000 1.197 144 A HN 0.940 nan 8.150 nan 0.000 0.484 145 H N 1.148 120.222 119.070 0.007 0.000 2.643 145 H HA 0.451 0.082 4.556 -8.209 0.000 0.259 145 H C 0.643 175.926 175.328 -0.075 0.000 1.298 145 H CA -0.278 55.748 56.048 -0.036 0.000 1.301 145 H CB 0.483 30.208 29.762 -0.062 0.000 1.422 145 H HN 0.696 nan 8.280 nan 0.000 0.521 146 R N 0.402 120.891 120.500 -0.019 0.000 2.590 146 R HA 0.243 -0.342 4.340 -8.210 0.000 0.410 146 R C -0.609 175.601 176.300 -0.151 0.000 1.010 146 R CA -0.304 55.737 56.100 -0.097 0.000 1.155 146 R CB -0.355 29.865 30.300 -0.133 0.000 1.455 146 R HN 0.364 nan 8.270 nan 0.000 0.567 147 C N 2.951 122.174 119.300 -0.129 0.000 2.252 147 C HA 0.474 0.008 4.460 -8.210 0.000 0.342 147 C C 0.575 175.496 174.990 -0.115 0.000 1.110 147 C CA -0.667 58.242 59.018 -0.182 0.000 1.581 147 C CB -1.359 26.229 27.740 -0.253 0.000 2.087 147 C HN 0.692 nan 8.230 nan 0.000 0.500 148 C N 5.935 125.186 119.300 -0.082 0.000 2.629 148 C HA 0.527 0.062 4.460 -8.210 0.000 0.410 148 C C 0.830 175.955 174.990 0.226 0.000 1.339 148 C CA -0.646 58.385 59.018 0.022 0.000 1.810 148 C CB -2.245 25.433 27.740 -0.103 0.000 2.549 148 C HN 0.986 nan 8.230 nan 0.000 0.589 149 C N 1.514 121.021 119.300 0.344 0.000 2.797 149 C HA 0.721 0.255 4.460 -8.210 0.000 0.306 149 C C -0.310 174.863 174.990 0.305 0.000 1.207 149 C CA -0.689 58.508 59.018 0.299 0.000 1.507 149 C CB 0.349 28.231 27.740 0.237 0.000 2.028 149 C HN 0.611 nan 8.230 nan 0.000 0.475 150 V N 3.796 123.771 119.914 0.102 0.000 2.056 150 V HA 0.543 -0.263 4.120 -8.210 0.000 0.267 150 V C 1.312 177.441 176.094 0.059 0.000 1.535 150 V CA 1.515 63.828 62.300 0.020 0.000 1.475 150 V CB -1.250 30.497 31.823 -0.126 0.000 1.441 150 V HN 1.988 nan 8.190 nan 0.000 0.500 151 A N 2.902 125.781 122.820 0.097 0.000 5.369 151 A HA -0.340 -0.945 4.320 -8.210 0.000 0.298 151 A C 1.349 178.988 177.584 0.091 0.000 2.000 151 A CA 1.414 53.491 52.037 0.067 0.000 0.716 151 A CB -1.535 17.478 19.000 0.022 0.000 1.248 151 A HN 0.627 nan 8.150 nan 0.000 0.365 152 D N 0.168 120.605 120.400 0.061 0.000 2.349 152 D HA 0.233 -0.052 4.640 -8.210 0.000 0.214 152 D C 1.093 177.426 176.300 0.054 0.000 1.063 152 D CA 0.423 54.462 54.000 0.066 0.000 0.847 152 D CB -0.115 40.711 40.800 0.043 0.000 0.933 152 D HN 0.435 nan 8.370 nan 0.000 0.513 153 R N -0.467 120.064 120.500 0.051 0.000 2.816 153 R HA 0.112 -0.474 4.340 -8.210 0.000 0.382 153 R C 1.337 177.692 176.300 0.091 0.000 1.140 153 R CA 0.033 56.171 56.100 0.062 0.000 1.050 153 R CB 0.472 30.790 30.300 0.031 0.000 1.396 153 R HN -0.070 nan 8.270 nan 0.000 0.583 154 T N -1.185 113.404 114.554 0.058 0.000 2.746 154 T HA -0.105 -0.681 4.350 -8.210 0.000 0.267 154 T C 1.935 176.643 174.700 0.015 0.000 1.039 154 T CA 2.049 64.157 62.100 0.014 0.000 1.142 154 T CB 0.052 68.942 68.868 0.037 0.000 0.866 154 T HN 0.474 nan 8.240 nan 0.000 0.444 155 G N 0.292 109.120 108.800 0.048 0.000 2.408 155 G HA2 -0.211 -1.177 3.960 -8.210 0.000 0.217 155 G HA3 -0.211 -1.177 3.960 -8.210 0.000 0.217 155 G C 1.570 176.515 174.900 0.075 0.000 1.150 155 G CA 0.997 46.124 45.100 0.044 0.000 0.776 155 G HN 0.741 nan 8.290 nan 0.000 0.542 156 H N 0.900 119.987 119.070 0.028 0.000 2.290 156 H HA -0.063 -0.433 4.556 -8.210 0.000 0.298 156 H C 2.513 177.925 175.328 0.140 0.000 1.087 156 H CA 1.780 57.884 56.048 0.094 0.000 1.291 156 H CB -0.265 29.532 29.762 0.057 0.000 1.369 156 H HN 0.292 nan 8.280 nan 0.000 0.492 157 S N 0.882 116.523 115.700 -0.097 0.000 2.382 157 S HA -0.113 -0.569 4.470 -8.210 0.000 0.228 157 S C 2.230 176.768 174.600 -0.102 0.000 1.027 157 S CA 0.931 59.031 58.200 -0.168 0.000 0.991 157 S CB -0.382 62.739 63.200 -0.132 0.000 0.823 157 S HN 0.347 nan 8.310 nan 0.000 0.469 158 L N 1.510 122.694 121.223 -0.066 0.000 2.042 158 L HA -0.023 -0.609 4.340 -8.210 0.000 0.210 158 L C 1.980 178.866 176.870 0.028 0.000 1.076 158 L CA 1.643 56.478 54.840 -0.009 0.000 0.749 158 L CB -0.925 41.147 42.059 0.022 0.000 0.893 158 L HN 0.268 nan 8.230 nan 0.000 0.432 159 L N -0.935 120.291 121.223 0.004 0.000 2.056 159 L HA -0.169 -0.754 4.340 -8.210 0.000 0.207 159 L C 2.624 179.460 176.870 -0.057 0.000 1.078 159 L CA 1.749 56.574 54.840 -0.026 0.000 0.749 159 L CB -0.963 41.054 42.059 -0.070 0.000 0.901 159 L HN 0.423 nan 8.230 nan 0.000 0.433 160 H N -1.498 117.513 119.070 -0.099 0.000 2.395 160 H HA -0.058 -0.428 4.556 -8.210 0.000 0.299 160 H C 1.884 177.208 175.328 -0.007 0.000 1.070 160 H CA 1.755 57.770 56.048 -0.054 0.000 1.356 160 H CB -0.004 29.646 29.762 -0.187 0.000 1.401 160 H HN 0.366 nan 8.280 nan 0.000 0.524 161 T N 1.412 116.012 114.554 0.077 0.000 2.777 161 T HA -0.073 -0.649 4.350 -8.210 0.000 0.266 161 T C 2.432 177.134 174.700 0.004 0.000 1.040 161 T CA 0.560 62.687 62.100 0.045 0.000 1.141 161 T CB -0.270 68.637 68.868 0.064 0.000 0.868 161 T HN 0.169 nan 8.240 nan 0.000 0.444 162 L N -0.359 120.898 121.223 0.058 0.000 2.017 162 L HA -0.105 -0.690 4.340 -8.210 0.000 0.208 162 L C 2.442 179.298 176.870 -0.024 0.000 1.073 162 L CA 1.651 56.529 54.840 0.064 0.000 0.745 162 L CB -0.563 41.622 42.059 0.209 0.000 0.894 162 L HN 0.259 nan 8.230 nan 0.000 0.432 163 Y N 0.884 121.120 120.300 -0.107 0.000 2.181 163 Y HA -0.194 -0.570 4.550 -8.210 0.000 0.288 163 Y C 2.288 178.085 175.900 -0.173 0.000 1.146 163 Y CA 1.407 59.407 58.100 -0.167 0.000 1.164 163 Y CB -0.766 37.545 38.460 -0.248 0.000 0.982 163 Y HN 0.090 nan 8.280 nan 0.000 0.515 164 G N 0.603 109.296 108.800 -0.178 0.000 2.491 164 G HA2 -0.307 -1.273 3.960 -8.210 0.000 0.218 164 G HA3 -0.307 -1.273 3.960 -8.210 0.000 0.218 164 G C 1.909 176.596 174.900 -0.355 0.000 1.180 164 G CA 0.983 45.939 45.100 -0.240 0.000 0.774 164 G HN 0.261 nan 8.290 nan 0.000 0.562 165 R N 0.782 121.032 120.500 -0.417 0.000 2.081 165 R HA -0.089 -0.675 4.340 -8.210 0.000 0.235 165 R C 3.127 179.059 176.300 -0.613 0.000 1.131 165 R CA 1.593 57.319 56.100 -0.622 0.000 0.960 165 R CB -0.829 28.839 30.300 -1.052 0.000 0.856 165 R HN 0.543 nan 8.270 nan 0.000 0.436 166 S N 0.387 115.756 115.700 -0.552 0.000 2.465 166 S HA -0.125 -0.581 4.470 -8.210 0.000 0.241 166 S C 1.770 176.319 174.600 -0.084 0.000 1.000 166 S CA 0.885 58.962 58.200 -0.205 0.000 0.964 166 S CB -0.197 63.026 63.200 0.038 0.000 0.763 166 S HN 0.120 nan 8.310 nan 0.000 0.512 167 L N 1.272 122.310 121.223 -0.307 0.000 2.478 167 L HA 0.276 -0.310 4.340 -8.210 0.000 0.223 167 L C 2.541 179.283 176.870 -0.214 0.000 1.140 167 L CA 0.938 55.620 54.840 -0.263 0.000 0.842 167 L CB -0.674 41.166 42.059 -0.365 0.000 0.953 167 L HN 0.322 nan 8.230 nan 0.000 0.452 168 R N -1.882 118.418 120.500 -0.333 0.000 2.193 168 R HA 0.001 -0.584 4.340 -8.210 0.000 0.213 168 R C -0.167 175.813 176.300 -0.533 0.000 1.055 168 R CA 0.520 56.314 56.100 -0.510 0.000 0.995 168 R CB -0.043 29.791 30.300 -0.776 0.000 0.893 168 R HN 0.204 nan 8.270 nan 0.000 0.459 169 Y N 0.198 120.469 120.300 -0.049 0.000 2.568 169 Y HA 0.119 -0.256 4.550 -8.209 0.000 0.327 169 Y C 0.686 176.607 175.900 0.035 0.000 1.163 169 Y CA -1.720 56.388 58.100 0.014 0.000 1.219 169 Y CB 0.621 39.120 38.460 0.064 0.000 1.308 169 Y HN -0.020 nan 8.280 nan 0.000 0.503 170 D N -0.927 119.599 120.400 0.209 0.000 2.889 170 D HA 0.038 -0.248 4.640 -8.210 0.000 0.243 170 D C -0.424 175.948 176.300 0.120 0.000 1.270 170 D CA -0.370 53.711 54.000 0.135 0.000 0.838 170 D CB -1.174 39.686 40.800 0.100 0.000 1.040 170 D HN 0.495 nan 8.370 nan 0.000 0.480 171 T N -1.321 113.299 114.554 0.109 0.000 2.902 171 T HA 0.150 -0.425 4.350 -8.210 0.000 0.301 171 T C 0.499 175.135 174.700 -0.107 0.000 1.012 171 T CA -0.448 61.611 62.100 -0.069 0.000 1.151 171 T CB 0.882 69.581 68.868 -0.281 0.000 0.946 171 T HN -0.008 nan 8.240 nan 0.000 0.542 172 S N 2.638 118.243 115.700 -0.158 0.000 2.409 172 S HA 0.266 -0.189 4.470 -8.210 0.000 0.308 172 S C -0.576 173.810 174.600 -0.356 0.000 1.080 172 S CA -0.624 57.483 58.200 -0.155 0.000 1.081 172 S CB -0.447 62.776 63.200 0.038 0.000 1.009 172 S HN 0.561 nan 8.310 nan 0.000 0.502 173 Y N 1.966 122.130 120.300 -0.226 0.000 2.336 173 Y HA 0.280 -0.096 4.550 -8.210 0.000 0.335 173 Y C 0.031 175.693 175.900 -0.396 0.000 1.046 173 Y CA -0.573 57.408 58.100 -0.199 0.000 1.198 173 Y CB 0.342 38.753 38.460 -0.082 0.000 1.182 173 Y HN 0.527 nan 8.280 nan 0.000 0.502 174 F N 3.336 123.157 119.950 -0.215 0.000 2.425 174 F HA 0.301 -0.098 4.527 -8.209 0.000 0.354 174 F C -0.227 175.519 175.800 -0.090 0.000 1.162 174 F CA -0.844 56.857 58.000 -0.498 0.000 1.250 174 F CB 0.007 38.386 39.000 -1.036 0.000 1.579 174 F HN 0.117 nan 8.300 nan 0.000 0.589 175 V N 1.950 121.998 119.914 0.223 0.000 2.614 175 V HA 0.080 -0.726 4.120 -8.210 0.000 0.291 175 V C 0.561 176.909 176.094 0.424 0.000 1.049 175 V CA -0.905 61.574 62.300 0.299 0.000 1.038 175 V CB 0.705 32.694 31.823 0.278 0.000 0.980 175 V HN 0.737 nan 8.190 nan 0.000 0.481 176 E N 1.821 122.209 120.200 0.313 0.000 2.252 176 E HA -0.233 -0.809 4.350 -8.210 0.000 0.218 176 E C -1.254 175.444 176.600 0.164 0.000 1.253 176 E CA 0.482 57.005 56.400 0.205 0.000 0.705 176 E CB -0.990 28.819 29.700 0.182 0.000 1.172 176 E HN 0.643 nan 8.360 nan 0.000 0.369 177 Y N -0.131 120.208 120.300 0.065 0.000 2.341 177 Y HA 0.424 0.048 4.550 -8.210 0.000 0.338 177 Y C -0.153 175.782 175.900 0.059 0.000 0.965 177 Y CA -1.079 57.060 58.100 0.065 0.000 1.108 177 Y CB 1.053 39.555 38.460 0.071 0.000 1.180 177 Y HN 0.176 nan 8.280 nan 0.000 0.458 178 F N 3.663 123.627 119.950 0.023 0.000 2.371 178 F HA 0.667 0.268 4.527 -8.210 0.000 0.363 178 F C 0.298 176.103 175.800 0.008 0.000 1.122 178 F CA -0.924 57.071 58.000 -0.008 0.000 1.129 178 F CB 0.325 39.284 39.000 -0.069 0.000 1.173 178 F HN 0.614 nan 8.300 nan 0.000 0.489 179 A N 7.390 130.076 122.820 -0.223 0.000 2.491 179 A HA 0.292 -0.314 4.320 -8.210 0.000 0.261 179 A C 0.511 178.065 177.584 -0.050 0.000 1.101 179 A CA -0.210 51.752 52.037 -0.125 0.000 0.772 179 A CB 0.105 18.994 19.000 -0.186 0.000 1.043 179 A HN 1.041 nan 8.150 nan 0.000 0.501 180 L N 1.604 122.881 121.223 0.088 0.000 2.116 180 L HA 0.212 -0.373 4.340 -8.210 0.000 0.200 180 L C 0.575 177.477 176.870 0.055 0.000 1.084 180 L CA 0.671 55.594 54.840 0.138 0.000 0.766 180 L CB -0.145 41.974 42.059 0.100 0.000 0.930 180 L HN 0.605 nan 8.230 nan 0.000 0.453 181 D N -1.265 119.145 120.400 0.017 0.000 2.610 181 D HA 0.387 0.101 4.640 -8.210 0.000 0.271 181 D C -1.373 174.917 176.300 -0.016 0.000 1.174 181 D CA -0.555 53.444 54.000 -0.001 0.000 0.949 181 D CB 2.935 43.736 40.800 0.002 0.000 1.430 181 D HN -0.257 nan 8.370 nan 0.000 0.467 182 L N 0.869 122.080 121.223 -0.020 0.000 2.371 182 L HA 0.278 -0.307 4.340 -8.210 0.000 0.272 182 L C 0.316 177.178 176.870 -0.014 0.000 1.124 182 L CA -0.049 54.777 54.840 -0.023 0.000 0.816 182 L CB 0.477 42.520 42.059 -0.026 0.000 1.129 182 L HN 0.277 nan 8.230 nan 0.000 0.448 183 L N 4.478 125.694 121.223 -0.012 0.000 2.384 183 L HA 0.170 -0.415 4.340 -8.210 0.000 0.258 183 L C 0.032 176.900 176.870 -0.005 0.000 1.266 183 L CA -0.069 54.769 54.840 -0.004 0.000 1.162 183 L CB -0.156 41.905 42.059 0.003 0.000 1.375 183 L HN 0.583 nan 8.230 nan 0.000 0.420 184 M N 2.476 122.072 119.600 -0.007 0.000 2.277 184 M HA 0.303 -0.143 4.480 -8.210 0.000 0.350 184 M C -0.415 175.882 176.300 -0.006 0.000 1.180 184 M CA 0.260 55.555 55.300 -0.008 0.000 1.103 184 M CB 0.984 33.578 32.600 -0.010 0.000 1.577 184 M HN 0.236 nan 8.290 nan 0.000 0.459 185 E N 3.021 123.218 120.200 -0.006 0.000 2.334 185 E HA 0.215 -0.361 4.350 -8.210 0.000 0.280 185 E C -1.108 175.487 176.600 -0.008 0.000 0.899 185 E CA -0.315 56.081 56.400 -0.006 0.000 0.813 185 E CB 0.618 30.317 29.700 -0.002 0.000 1.318 185 E HN 0.819 nan 8.360 nan 0.000 0.399 186 N N 2.667 121.362 118.700 -0.009 0.000 2.714 186 N HA -0.213 -0.399 4.740 -8.210 0.000 0.253 186 N C 0.464 175.966 175.510 -0.014 0.000 1.024 186 N CA 1.391 54.434 53.050 -0.012 0.000 0.726 186 N CB -1.187 37.294 38.487 -0.010 0.000 0.908 186 N HN 0.996 nan 8.380 nan 0.000 0.542 187 G N -0.403 108.388 108.800 -0.015 0.000 2.225 187 G HA2 -0.310 -1.276 3.960 -8.210 0.000 0.267 187 G HA3 -0.310 -1.276 3.960 -8.210 0.000 0.267 187 G C -0.248 174.638 174.900 -0.022 0.000 1.024 187 G CA 0.939 46.028 45.100 -0.018 0.000 0.784 187 G HN 0.656 nan 8.290 nan 0.000 0.507 188 E N -1.291 118.897 120.200 -0.019 0.000 2.292 188 E HA 0.431 -0.144 4.350 -8.210 0.000 0.272 188 E C -0.524 176.066 176.600 -0.016 0.000 0.881 188 E CA -0.813 55.575 56.400 -0.020 0.000 0.754 188 E CB 2.185 31.876 29.700 -0.014 0.000 1.201 188 E HN 0.232 nan 8.360 nan 0.000 0.425 189 C N 2.746 122.035 119.300 -0.019 0.000 2.369 189 C HA 0.361 -0.104 4.460 -8.210 0.000 0.358 189 C C 1.017 176.007 174.990 0.000 0.000 1.274 189 C CA -0.264 58.746 59.018 -0.013 0.000 1.935 189 C CB -0.453 27.275 27.740 -0.020 0.000 2.431 189 C HN 0.725 nan 8.230 nan 0.000 0.545 190 R N 3.338 123.840 120.500 0.003 0.000 2.446 190 R HA 0.366 -0.220 4.340 -8.210 0.000 0.254 190 R C 0.815 177.126 176.300 0.019 0.000 0.918 190 R CA 0.748 56.857 56.100 0.015 0.000 1.069 190 R CB 0.282 30.591 30.300 0.015 0.000 1.194 190 R HN 1.067 nan 8.270 nan 0.000 0.534 191 G N 0.172 108.975 108.800 0.004 0.000 2.334 191 G HA2 0.073 -0.893 3.960 -8.210 0.000 0.249 191 G HA3 0.073 -0.893 3.960 -8.210 0.000 0.249 191 G C -1.555 173.330 174.900 -0.024 0.000 1.327 191 G CA -0.270 44.826 45.100 -0.006 0.000 0.979 191 G HN 0.115 nan 8.290 nan 0.000 0.471 192 V N -1.788 118.103 119.914 -0.039 0.000 2.876 192 V HA 0.859 0.053 4.120 -8.210 0.000 0.312 192 V C -0.198 175.880 176.094 -0.027 0.000 1.085 192 V CA -1.014 61.259 62.300 -0.045 0.000 0.945 192 V CB 1.778 33.553 31.823 -0.080 0.000 1.017 192 V HN 1.269 nan 8.190 nan 0.000 0.428 193 I N 3.113 123.680 120.570 -0.006 0.000 2.359 193 I HA 0.862 0.106 4.170 -8.210 0.000 0.294 193 I C 0.173 176.314 176.117 0.039 0.000 0.987 193 I CA -0.290 61.024 61.300 0.022 0.000 1.225 193 I CB 1.234 39.245 38.000 0.019 0.000 1.366 193 I HN 1.164 nan 8.210 nan 0.000 0.466 194 A N 7.091 129.963 122.820 0.087 0.000 2.515 194 A HA 0.634 0.028 4.320 -8.210 0.000 0.298 194 A C -1.674 176.026 177.584 0.194 0.000 1.059 194 A CA -0.613 51.507 52.037 0.138 0.000 0.698 194 A CB 1.566 20.641 19.000 0.125 0.000 1.289 194 A HN 0.693 nan 8.150 nan 0.000 0.404 195 L N 1.870 123.193 121.223 0.167 0.000 2.292 195 L HA 0.583 -0.003 4.340 -8.210 0.000 0.284 195 L C 0.020 176.866 176.870 -0.039 0.000 1.065 195 L CA -0.307 54.584 54.840 0.084 0.000 0.806 195 L CB 1.081 43.150 42.059 0.015 0.000 1.175 195 L HN 0.801 nan 8.230 nan 0.000 0.431 196 C N 6.732 125.934 119.300 -0.162 0.000 2.289 196 C HA 0.305 -0.161 4.460 -8.210 0.000 0.340 196 C C 1.817 176.572 174.990 -0.392 0.000 1.152 196 C CA -0.623 57.992 59.018 -0.671 0.000 1.650 196 C CB -1.710 25.721 27.740 -0.514 0.000 2.203 196 C HN 0.965 nan 8.230 nan 0.000 0.511 197 I N 3.197 123.499 120.570 -0.445 0.000 2.335 197 I HA -0.178 -0.934 4.170 -8.210 0.000 0.251 197 I C 2.516 178.370 176.117 -0.439 0.000 1.129 197 I CA 1.601 62.592 61.300 -0.515 0.000 1.402 197 I CB -0.387 37.117 38.000 -0.825 0.000 1.069 197 I HN 0.807 nan 8.210 nan 0.000 0.424 198 E N 1.321 121.390 120.200 -0.219 0.000 2.023 198 E HA -0.276 -0.852 4.350 -8.210 0.000 0.196 198 E C 1.044 177.718 176.600 0.123 0.000 1.003 198 E CA 1.878 58.343 56.400 0.109 0.000 0.809 198 E CB 0.080 29.872 29.700 0.154 0.000 0.755 198 E HN 0.615 nan 8.360 nan 0.000 0.449 199 D N -2.209 118.224 120.400 0.055 0.000 2.513 199 D HA 0.122 -0.163 4.640 -8.210 0.000 0.222 199 D C 0.873 177.207 176.300 0.056 0.000 1.210 199 D CA 0.492 54.539 54.000 0.078 0.000 0.825 199 D CB 0.489 41.351 40.800 0.104 0.000 1.037 199 D HN 0.338 nan 8.370 nan 0.000 0.506 200 G N 0.959 109.768 108.800 0.015 0.000 2.168 200 G HA2 -0.288 -1.254 3.960 -8.210 0.000 0.257 200 G HA3 -0.288 -1.254 3.960 -8.210 0.000 0.257 200 G C 0.335 175.290 174.900 0.092 0.000 0.997 200 G CA 0.632 45.751 45.100 0.030 0.000 0.708 200 G HN 0.821 nan 8.290 nan 0.000 0.520 201 S N -0.310 115.447 115.700 0.095 0.000 2.586 201 S HA 0.758 0.302 4.470 -8.210 0.000 0.274 201 S C 0.314 174.977 174.600 0.106 0.000 1.281 201 S CA -1.083 57.181 58.200 0.107 0.000 1.035 201 S CB 2.012 65.271 63.200 0.099 0.000 0.962 201 S HN 0.342 nan 8.310 nan 0.000 0.512 202 I N 3.452 124.041 120.570 0.031 0.000 2.342 202 I HA 0.282 -0.473 4.170 -8.210 0.000 0.291 202 I C 0.313 176.382 176.117 -0.080 0.000 1.010 202 I CA -0.110 61.205 61.300 0.026 0.000 1.308 202 I CB 0.239 38.239 38.000 -0.000 0.000 1.400 202 I HN 0.706 nan 8.210 nan 0.000 0.488 203 H N 6.382 125.546 119.070 0.155 0.000 2.547 203 H HA 0.402 0.032 4.556 -8.210 0.000 0.342 203 H C -0.421 174.978 175.328 0.118 0.000 1.048 203 H CA -0.735 55.434 56.048 0.201 0.000 1.204 203 H CB 1.927 31.874 29.762 0.308 0.000 1.493 203 H HN 0.370 nan 8.280 nan 0.000 0.511 204 R N 3.427 124.054 120.500 0.212 0.000 2.233 204 R HA 0.335 -0.251 4.340 -8.210 0.000 0.334 204 R C -0.226 176.176 176.300 0.170 0.000 1.037 204 R CA -0.359 55.820 56.100 0.131 0.000 0.920 204 R CB 0.388 30.734 30.300 0.076 0.000 1.137 204 R HN 0.444 nan 8.270 nan 0.000 0.492 205 I N 4.695 125.316 120.570 0.085 0.000 2.304 205 I HA 0.269 -0.487 4.170 -8.210 0.000 0.291 205 I C 0.417 176.580 176.117 0.077 0.000 1.018 205 I CA -0.406 60.939 61.300 0.076 0.000 1.260 205 I CB 0.727 38.593 38.000 -0.222 0.000 1.390 205 I HN 0.416 nan 8.210 nan 0.000 0.475 206 R N 5.882 126.473 120.500 0.150 0.000 2.589 206 R HA 0.967 0.382 4.340 -8.210 0.000 0.293 206 R C -1.202 175.184 176.300 0.143 0.000 0.963 206 R CA -0.728 55.437 56.100 0.108 0.000 0.905 206 R CB 2.178 32.527 30.300 0.081 0.000 1.144 206 R HN 0.598 nan 8.270 nan 0.000 0.459 207 A N 1.917 124.795 122.820 0.096 0.000 2.610 207 A HA 0.361 -0.244 4.320 -8.210 0.000 0.291 207 A C 0.021 177.646 177.584 0.068 0.000 1.086 207 A CA -0.925 51.176 52.037 0.106 0.000 0.677 207 A CB 1.718 20.784 19.000 0.110 0.000 1.278 207 A HN 0.906 nan 8.150 nan 0.000 0.414 208 R N -0.112 120.432 120.500 0.075 0.000 2.148 208 R HA -0.005 -0.591 4.340 -8.210 0.000 0.227 208 R C -0.376 175.953 176.300 0.049 0.000 1.103 208 R CA 1.183 57.321 56.100 0.062 0.000 0.983 208 R CB 0.038 30.388 30.300 0.083 0.000 0.874 208 R HN 0.707 nan 8.270 nan 0.000 0.451 209 N N -0.224 118.492 118.700 0.028 0.000 2.260 209 N HA 0.177 -0.009 4.740 -8.210 0.000 0.293 209 N C -1.576 173.936 175.510 0.004 0.000 1.058 209 N CA -0.319 52.750 53.050 0.032 0.000 0.824 209 N CB 2.499 40.961 38.487 -0.042 0.000 1.551 209 N HN -0.119 nan 8.380 nan 0.000 0.475 210 T N 0.703 115.285 114.554 0.048 0.000 2.807 210 T HA 0.469 -0.107 4.350 -8.210 0.000 0.279 210 T C -0.057 174.668 174.700 0.042 0.000 0.993 210 T CA -0.494 61.609 62.100 0.006 0.000 0.970 210 T CB 1.748 70.611 68.868 -0.008 0.000 0.950 210 T HN 0.065 nan 8.240 nan 0.000 0.441 211 V N 3.394 123.294 119.914 -0.023 0.000 2.495 211 V HA 0.493 -0.312 4.120 -8.210 0.000 0.298 211 V C -0.307 175.767 176.094 -0.035 0.000 1.031 211 V CA -0.813 61.481 62.300 -0.011 0.000 0.871 211 V CB 1.907 33.680 31.823 -0.083 0.000 0.988 211 V HN 0.714 nan 8.190 nan 0.000 0.432 212 V N 4.027 123.931 119.914 -0.017 0.000 2.357 212 V HA 0.719 -0.087 4.120 -8.210 0.000 0.284 212 V C 0.453 176.530 176.094 -0.027 0.000 1.018 212 V CA -0.123 62.156 62.300 -0.036 0.000 0.841 212 V CB 1.415 33.214 31.823 -0.041 0.000 0.991 212 V HN 1.004 nan 8.190 nan 0.000 0.437 213 A N 2.829 125.630 122.820 -0.033 0.000 3.355 213 A HA 0.444 -0.162 4.320 -8.210 0.000 0.290 213 A C 0.921 178.493 177.584 -0.020 0.000 0.973 213 A CA 0.250 52.278 52.037 -0.015 0.000 0.933 213 A CB 0.292 19.290 19.000 -0.003 0.000 1.138 213 A HN 0.821 nan 8.150 nan 0.000 0.490 214 T N -2.373 112.161 114.554 -0.033 0.000 3.144 214 T HA 0.453 -0.122 4.350 -8.210 0.000 0.249 214 T C 1.180 175.865 174.700 -0.025 0.000 1.089 214 T CA 0.902 62.976 62.100 -0.044 0.000 0.989 214 T CB -0.428 68.396 68.868 -0.072 0.000 0.992 214 T HN 2.091 nan 8.240 nan 0.000 0.540 215 G N 0.415 109.207 108.800 -0.012 0.000 2.692 215 G HA2 0.133 -0.833 3.960 -8.210 0.000 0.248 215 G HA3 0.133 -0.833 3.960 -8.210 0.000 0.248 215 G C 0.282 175.156 174.900 -0.043 0.000 1.340 215 G CA -0.526 44.562 45.100 -0.019 0.000 0.896 215 G HN 0.936 nan 8.290 nan 0.000 0.570 216 G N -1.866 106.866 108.800 -0.112 0.000 2.516 216 G HA2 0.640 -0.325 3.960 -8.210 0.000 0.276 216 G HA3 0.640 -0.325 3.960 -8.210 0.000 0.276 216 G C 0.199 175.066 174.900 -0.056 0.000 1.390 216 G CA 0.465 45.453 45.100 -0.187 0.000 1.050 216 G HN 1.903 nan 8.290 nan 0.000 0.519 217 Y N -2.859 117.372 120.300 -0.116 0.000 2.685 217 Y HA 0.489 0.111 4.550 -8.214 0.000 0.257 217 Y C 1.518 177.400 175.900 -0.031 0.000 1.053 217 Y CA -0.558 57.505 58.100 -0.062 0.000 1.106 217 Y CB -0.013 38.425 38.460 -0.036 0.000 1.193 217 Y HN 0.485 nan 8.280 nan 0.000 0.602 218 G N 1.115 109.804 108.800 -0.184 0.000 2.537 218 G HA2 -0.181 -1.147 3.960 -8.210 0.000 0.220 218 G HA3 -0.181 -1.147 3.960 -8.210 0.000 0.220 218 G C 1.564 176.482 174.900 0.030 0.000 1.111 218 G CA 0.263 45.282 45.100 -0.135 0.000 0.748 218 G HN 0.250 nan 8.290 nan 0.000 0.564 219 R N 0.465 120.998 120.500 0.055 0.000 2.319 219 R HA 0.017 -0.569 4.340 -8.210 0.000 0.204 219 R C 2.336 178.716 176.300 0.133 0.000 0.954 219 R CA 1.003 57.152 56.100 0.082 0.000 1.066 219 R CB -0.592 29.746 30.300 0.063 0.000 0.991 219 R HN 0.516 nan 8.270 nan 0.000 0.486 220 T N -2.519 112.139 114.554 0.173 0.000 3.035 220 T HA -0.024 -0.600 4.350 -8.210 0.000 0.268 220 T C 0.633 175.283 174.700 -0.082 0.000 1.109 220 T CA 0.815 62.949 62.100 0.057 0.000 1.119 220 T CB -0.143 68.757 68.868 0.054 0.000 0.900 220 T HN 0.008 nan 8.240 nan 0.000 0.503 221 Y N -0.880 119.480 120.300 0.099 0.000 2.534 221 Y HA 0.527 0.149 4.550 -8.214 0.000 0.329 221 Y C 0.795 176.797 175.900 0.169 0.000 1.154 221 Y CA -2.193 55.986 58.100 0.131 0.000 1.192 221 Y CB 0.763 39.272 38.460 0.082 0.000 1.275 221 Y HN -0.097 nan 8.280 nan 0.000 0.491 222 F N 0.289 120.371 119.950 0.220 0.000 2.259 222 F HA 0.056 -0.343 4.527 -8.211 0.000 0.298 222 F C 0.857 176.718 175.800 0.103 0.000 1.088 222 F CA 0.908 58.987 58.000 0.133 0.000 1.358 222 F CB 0.113 39.182 39.000 0.116 0.000 1.040 222 F HN 0.268 nan 8.300 nan 0.000 0.505 223 S N 0.519 116.228 115.700 0.014 0.000 2.605 223 S HA 0.640 0.184 4.470 -8.210 0.000 0.308 223 S C -0.924 173.642 174.600 -0.056 0.000 1.113 223 S CA -0.399 57.720 58.200 -0.135 0.000 1.049 223 S CB 0.180 63.330 63.200 -0.084 0.000 1.001 223 S HN 0.463 nan 8.310 nan 0.000 0.480 224 C N 2.243 121.477 119.300 -0.111 0.000 3.239 224 C HA 0.665 0.200 4.460 -8.210 0.000 0.329 224 C C 1.447 176.374 174.990 -0.105 0.000 1.252 224 C CA -0.041 58.914 59.018 -0.105 0.000 1.323 224 C CB 0.563 28.240 27.740 -0.104 0.000 1.663 224 C HN 0.831 nan 8.230 nan 0.000 0.487 225 T N -0.647 113.879 114.554 -0.047 0.000 3.055 225 T HA 0.104 -0.472 4.350 -8.210 0.000 0.265 225 T C 0.761 175.471 174.700 0.016 0.000 1.111 225 T CA 0.914 63.014 62.100 -0.001 0.000 1.118 225 T CB -0.383 68.564 68.868 0.131 0.000 0.909 225 T HN 0.828 nan 8.240 nan 0.000 0.501 226 S N 1.687 117.327 115.700 -0.100 0.000 2.589 226 S HA 0.595 0.139 4.470 -8.210 0.000 0.265 226 S C 0.754 175.193 174.600 -0.269 0.000 1.342 226 S CA -0.463 57.548 58.200 -0.314 0.000 1.005 226 S CB 0.492 63.477 63.200 -0.358 0.000 0.909 226 S HN 0.784 nan 8.310 nan 0.000 0.555 227 A N 0.929 123.520 122.820 -0.382 0.000 2.296 227 A HA 0.290 -0.315 4.320 -8.210 0.000 0.264 227 A C 0.995 178.483 177.584 -0.159 0.000 1.097 227 A CA -0.302 51.651 52.037 -0.139 0.000 0.811 227 A CB -0.166 18.864 19.000 0.051 0.000 1.072 227 A HN 0.980 nan 8.150 nan 0.000 0.495 228 H N 0.142 119.220 119.070 0.014 0.000 2.543 228 H HA -0.082 -0.451 4.556 -8.209 0.000 0.286 228 H C 1.673 177.024 175.328 0.039 0.000 1.037 228 H CA 1.948 58.014 56.048 0.031 0.000 1.250 228 H CB -0.182 29.613 29.762 0.054 0.000 1.373 228 H HN 0.782 nan 8.280 nan 0.000 0.580 229 T N -2.603 112.026 114.554 0.124 0.000 3.086 229 T HA 0.105 -0.470 4.350 -8.210 0.000 0.250 229 T C 0.936 175.656 174.700 0.033 0.000 1.074 229 T CA -0.281 61.879 62.100 0.100 0.000 0.988 229 T CB 0.061 68.994 68.868 0.110 0.000 0.988 229 T HN -0.075 nan 8.240 nan 0.000 0.530 230 S N 3.201 118.880 115.700 -0.035 0.000 3.869 230 S HA 0.267 -0.188 4.470 -8.210 0.000 0.241 230 S C 1.095 175.700 174.600 0.008 0.000 1.363 230 S CA -0.417 57.736 58.200 -0.078 0.000 0.894 230 S CB -0.234 62.828 63.200 -0.230 0.000 1.519 230 S HN 0.726 nan 8.310 nan 0.000 0.470 231 T N -1.786 112.800 114.554 0.053 0.000 3.182 231 T HA 0.376 -0.199 4.350 -8.210 0.000 0.277 231 T C 1.130 175.890 174.700 0.100 0.000 1.013 231 T CA 0.030 62.188 62.100 0.097 0.000 0.900 231 T CB 0.198 69.136 68.868 0.117 0.000 1.098 231 T HN 0.626 nan 8.240 nan 0.000 0.543 232 G N 2.181 111.046 108.800 0.108 0.000 2.393 232 G HA2 -0.258 -1.223 3.960 -8.210 0.000 0.299 232 G HA3 -0.258 -1.223 3.960 -8.210 0.000 0.299 232 G C 0.168 175.071 174.900 0.005 0.000 0.990 232 G CA 0.472 45.631 45.100 0.097 0.000 1.118 232 G HN 0.611 nan 8.290 nan 0.000 0.513 233 D N -0.578 119.807 120.400 -0.024 0.000 2.224 233 D HA 0.138 -0.147 4.640 -8.210 0.000 0.205 233 D C 2.402 178.650 176.300 -0.086 0.000 0.965 233 D CA 1.343 55.302 54.000 -0.069 0.000 0.852 233 D CB -0.055 40.627 40.800 -0.196 0.000 0.947 233 D HN 0.487 nan 8.370 nan 0.000 0.494 234 G N 0.072 108.825 108.800 -0.078 0.000 2.408 234 G HA2 -0.179 -1.144 3.960 -8.210 0.000 0.215 234 G HA3 -0.179 -1.144 3.960 -8.210 0.000 0.215 234 G C 1.668 176.531 174.900 -0.062 0.000 1.156 234 G CA 0.816 45.874 45.100 -0.071 0.000 0.793 234 G HN 0.173 nan 8.290 nan 0.000 0.535 235 T N 1.881 116.400 114.554 -0.059 0.000 2.720 235 T HA -0.053 -0.629 4.350 -8.210 0.000 0.268 235 T C 2.769 177.411 174.700 -0.097 0.000 1.037 235 T CA 1.571 63.619 62.100 -0.087 0.000 1.144 235 T CB -0.317 68.474 68.868 -0.128 0.000 0.864 235 T HN 0.346 nan 8.240 nan 0.000 0.444 236 A N 1.142 123.915 122.820 -0.079 0.000 1.929 236 A HA 0.079 -0.526 4.320 -8.210 0.000 0.216 236 A C 2.366 179.929 177.584 -0.035 0.000 1.176 236 A CA 1.136 53.141 52.037 -0.053 0.000 0.628 236 A CB -0.623 18.365 19.000 -0.021 0.000 0.816 236 A HN 0.417 nan 8.150 nan 0.000 0.444 237 M N -0.705 118.872 119.600 -0.038 0.000 2.117 237 M HA -0.137 -0.582 4.480 -8.210 0.000 0.262 237 M C 2.111 178.389 176.300 -0.035 0.000 1.065 237 M CA 1.401 56.681 55.300 -0.033 0.000 1.114 237 M CB -0.407 32.165 32.600 -0.046 0.000 1.361 237 M HN 0.270 nan 8.290 nan 0.000 0.408 238 V N -0.186 119.699 119.914 -0.049 0.000 2.427 238 V HA -0.230 -1.036 4.120 -8.210 0.000 0.248 238 V C 2.288 178.354 176.094 -0.047 0.000 1.051 238 V CA 2.057 64.326 62.300 -0.052 0.000 1.048 238 V CB -0.872 30.911 31.823 -0.068 0.000 0.666 238 V HN 0.503 nan 8.190 nan 0.000 0.456 239 T N -0.441 114.079 114.554 -0.057 0.000 2.708 239 T HA -0.195 -0.771 4.350 -8.210 0.000 0.266 239 T C 2.062 176.753 174.700 -0.014 0.000 1.037 239 T CA 1.431 63.501 62.100 -0.050 0.000 1.146 239 T CB -0.251 68.573 68.868 -0.072 0.000 0.865 239 T HN 0.374 nan 8.240 nan 0.000 0.435 240 R N 0.762 121.256 120.500 -0.010 0.000 2.193 240 R HA 0.046 -0.540 4.340 -8.210 0.000 0.229 240 R C 2.387 178.689 176.300 0.005 0.000 1.110 240 R CA 1.026 57.128 56.100 0.004 0.000 0.988 240 R CB -0.244 30.061 30.300 0.008 0.000 0.871 240 R HN 0.317 nan 8.270 nan 0.000 0.458 241 A N -0.283 122.537 122.820 0.000 0.000 2.208 241 A HA 0.182 -0.423 4.320 -8.210 0.000 0.209 241 A C 1.436 179.030 177.584 0.018 0.000 1.161 241 A CA 0.852 52.890 52.037 0.002 0.000 0.782 241 A CB 0.022 19.017 19.000 -0.008 0.000 0.816 241 A HN 0.437 nan 8.150 nan 0.000 0.477 242 G N -1.477 107.346 108.800 0.039 0.000 2.176 242 G HA2 -0.206 -1.172 3.960 -8.210 0.000 0.253 242 G HA3 -0.206 -1.172 3.960 -8.210 0.000 0.253 242 G C 0.098 175.104 174.900 0.178 0.000 0.979 242 G CA 0.253 45.407 45.100 0.090 0.000 0.641 242 G HN 0.428 nan 8.290 nan 0.000 0.530 243 L N 2.196 123.474 121.223 0.092 0.000 2.395 243 L HA 0.452 -0.134 4.340 -8.210 0.000 0.269 243 L C -1.280 175.547 176.870 -0.071 0.000 1.133 243 L CA -2.105 52.775 54.840 0.067 0.000 0.812 243 L CB 0.714 42.770 42.059 -0.006 0.000 1.125 243 L HN -0.026 nan 8.230 nan 0.000 0.452 244 P HA 0.125 nan 4.420 nan 0.000 0.274 244 P C -0.981 176.102 177.300 -0.361 0.000 1.231 244 P CA -0.480 62.222 63.100 -0.663 0.000 0.790 244 P CB 1.072 32.426 31.700 -0.576 0.000 0.951 245 C N 1.124 120.202 119.300 -0.370 0.000 2.486 245 C HA 0.572 0.106 4.460 -8.210 0.000 0.348 245 C C 0.199 175.084 174.990 -0.175 0.000 1.203 245 C CA -0.092 58.797 59.018 -0.216 0.000 1.911 245 C CB 1.483 29.116 27.740 -0.179 0.000 2.340 245 C HN 0.579 nan 8.230 nan 0.000 0.511 246 Q N 0.315 120.062 119.800 -0.089 0.000 2.375 246 Q HA 0.271 -0.315 4.340 -8.210 0.000 0.271 246 Q C -0.929 175.121 176.000 0.084 0.000 1.074 246 Q CA -0.307 55.481 55.803 -0.025 0.000 0.808 246 Q CB 1.208 29.896 28.738 -0.084 0.000 1.327 246 Q HN 0.796 nan 8.270 nan 0.000 0.441 247 D N 2.383 122.905 120.400 0.203 0.000 2.792 247 D HA -0.227 -0.513 4.640 -8.210 0.000 0.231 247 D C 0.626 177.147 176.300 0.368 0.000 1.160 247 D CA 0.817 55.066 54.000 0.415 0.000 0.697 247 D CB -0.670 40.368 40.800 0.397 0.000 1.070 247 D HN 0.627 nan 8.370 nan 0.000 0.426 248 L N 0.235 121.577 121.223 0.198 0.000 2.362 248 L HA -0.133 -0.719 4.340 -8.210 0.000 0.219 248 L C 2.562 179.540 176.870 0.180 0.000 1.134 248 L CA 1.051 56.012 54.840 0.202 0.000 0.807 248 L CB -0.264 41.847 42.059 0.086 0.000 0.927 248 L HN 0.200 nan 8.230 nan 0.000 0.447 249 E N 0.626 120.841 120.200 0.024 0.000 2.347 249 E HA -0.159 -0.735 4.350 -8.210 0.000 0.196 249 E C 0.241 176.737 176.600 -0.174 0.000 1.008 249 E CA 0.333 56.648 56.400 -0.143 0.000 0.852 249 E CB -0.227 29.215 29.700 -0.429 0.000 0.783 249 E HN 0.314 nan 8.360 nan 0.000 0.505 250 F N 1.937 121.948 119.950 0.101 0.000 2.439 250 F HA 0.216 -0.190 4.527 -8.222 0.000 0.356 250 F C -0.138 175.709 175.800 0.079 0.000 1.161 250 F CA -0.553 57.516 58.000 0.115 0.000 1.151 250 F CB 1.073 40.140 39.000 0.112 0.000 1.222 250 F HN -0.286 nan 8.300 nan 0.000 0.558 251 V N 3.487 123.514 119.914 0.189 0.000 2.407 251 V HA 0.223 -0.583 4.120 -8.210 0.000 0.291 251 V C -0.135 175.931 176.094 -0.048 0.000 1.018 251 V CA -1.055 61.237 62.300 -0.014 0.000 0.842 251 V CB 1.442 33.183 31.823 -0.135 0.000 0.996 251 V HN 0.582 nan 8.190 nan 0.000 0.426 252 Q N 3.913 123.696 119.800 -0.028 0.000 2.244 252 Q HA 0.193 -0.393 4.340 -8.210 0.000 0.278 252 Q C -1.154 174.797 176.000 -0.082 0.000 1.093 252 Q CA 0.593 56.433 55.803 0.062 0.000 0.916 252 Q CB 0.175 29.039 28.738 0.210 0.000 1.159 252 Q HN 0.577 nan 8.270 nan 0.000 0.384 253 F N 4.126 124.085 119.950 0.015 0.000 2.334 253 F HA 0.182 -0.220 4.527 -8.215 0.000 0.365 253 F C 0.135 175.934 175.800 -0.001 0.000 1.124 253 F CA -0.676 57.316 58.000 -0.013 0.000 1.166 253 F CB 0.447 39.405 39.000 -0.070 0.000 1.355 253 F HN 0.640 nan 8.300 nan 0.000 0.532 254 H N 5.272 124.375 119.070 0.055 0.000 2.929 254 H HA 0.075 -0.294 4.556 -8.209 0.000 0.317 254 H C -1.681 173.627 175.328 -0.033 0.000 1.031 254 H CA -1.070 54.924 56.048 -0.091 0.000 1.466 254 H CB 1.064 30.583 29.762 -0.406 0.000 1.482 254 H HN 0.313 nan 8.280 nan 0.000 0.561 255 P HA -0.137 nan 4.420 nan 0.000 0.215 255 P C 0.101 177.475 177.300 0.123 0.000 1.153 255 P CA 1.727 64.825 63.100 -0.002 0.000 0.853 255 P CB 0.255 31.883 31.700 -0.120 0.000 0.788 256 T N -2.711 111.999 114.554 0.260 0.000 3.336 256 T HA 0.627 0.051 4.350 -8.210 0.000 0.384 256 T C 0.311 175.060 174.700 0.083 0.000 1.704 256 T CA -0.860 61.340 62.100 0.166 0.000 1.334 256 T CB -0.005 68.933 68.868 0.118 0.000 1.131 256 T HN -0.010 nan 8.240 nan 0.000 0.684 257 G N 2.013 110.850 108.800 0.063 0.000 2.388 257 G HA2 0.620 -0.346 3.960 -8.210 0.000 0.330 257 G HA3 0.620 -0.346 3.960 -8.210 0.000 0.330 257 G C -0.342 174.569 174.900 0.018 0.000 1.142 257 G CA -1.044 44.050 45.100 -0.010 0.000 0.908 257 G HN 0.804 nan 8.290 nan 0.000 0.473 258 I N 1.678 122.233 120.570 -0.025 0.000 2.752 258 I HA -0.021 -0.777 4.170 -8.210 0.000 0.287 258 I C 1.431 177.568 176.117 0.034 0.000 1.188 258 I CA -0.309 60.996 61.300 0.007 0.000 1.427 258 I CB 0.760 38.738 38.000 -0.037 0.000 1.365 258 I HN 0.692 nan 8.210 nan 0.000 0.585 259 Y N 6.413 126.669 120.300 -0.073 0.000 2.274 259 Y HA -0.054 -0.430 4.550 -8.210 0.000 0.290 259 Y C 1.617 177.486 175.900 -0.053 0.000 1.145 259 Y CA 1.448 59.490 58.100 -0.097 0.000 1.203 259 Y CB -0.398 37.895 38.460 -0.278 0.000 0.984 259 Y HN 0.676 nan 8.280 nan 0.000 0.533 260 G N -0.284 108.465 108.800 -0.085 0.000 2.587 260 G HA2 -0.040 -1.006 3.960 -8.210 0.000 0.197 260 G HA3 -0.040 -1.006 3.960 -8.210 0.000 0.197 260 G C 1.593 176.410 174.900 -0.138 0.000 1.540 260 G CA 0.683 45.717 45.100 -0.111 0.000 0.910 260 G HN 0.456 nan 8.290 nan 0.000 0.437 261 A N -0.864 121.906 122.820 -0.083 0.000 2.209 261 A HA 0.409 -0.196 4.320 -8.210 0.000 0.212 261 A C 1.991 179.444 177.584 -0.218 0.000 1.158 261 A CA 1.541 53.497 52.037 -0.135 0.000 0.742 261 A CB -0.672 18.264 19.000 -0.107 0.000 0.790 261 A HN 2.102 nan 8.150 nan 0.000 0.472 262 G N -2.029 106.647 108.800 -0.207 0.000 2.141 262 G HA2 -0.269 -1.235 3.960 -8.210 0.000 0.242 262 G HA3 -0.269 -1.235 3.960 -8.210 0.000 0.242 262 G C 0.289 175.078 174.900 -0.185 0.000 0.982 262 G CA -0.046 44.949 45.100 -0.174 0.000 0.662 262 G HN 0.658 nan 8.290 nan 0.000 0.527 263 C N 0.188 119.321 119.300 -0.278 0.000 2.703 263 C HA 0.467 0.001 4.460 -8.210 0.000 0.411 263 C C 1.172 176.049 174.990 -0.190 0.000 1.290 263 C CA -0.233 58.609 59.018 -0.292 0.000 2.054 263 C CB 0.192 27.620 27.740 -0.521 0.000 2.732 263 C HN 0.706 nan 8.230 nan 0.000 0.650 264 L N 3.524 124.652 121.223 -0.159 0.000 2.331 264 L HA 0.530 -0.056 4.340 -8.210 0.000 0.278 264 L C -0.399 176.382 176.870 -0.149 0.000 1.106 264 L CA 0.434 55.163 54.840 -0.185 0.000 0.824 264 L CB 0.082 42.026 42.059 -0.192 0.000 1.142 264 L HN 0.541 nan 8.230 nan 0.000 0.443 265 I N 4.603 125.088 120.570 -0.141 0.000 2.355 265 I HA 0.199 -0.556 4.170 -8.210 0.000 0.288 265 I C 0.552 176.631 176.117 -0.064 0.000 0.999 265 I CA -0.434 60.825 61.300 -0.069 0.000 1.163 265 I CB 1.594 39.582 38.000 -0.020 0.000 1.316 265 I HN 0.649 nan 8.210 nan 0.000 0.454 266 T N 3.573 118.112 114.554 -0.025 0.000 2.939 266 T HA -0.102 -0.678 4.350 -8.210 0.000 0.319 266 T C 1.224 175.949 174.700 0.042 0.000 1.082 266 T CA 0.400 62.520 62.100 0.034 0.000 1.133 266 T CB 0.519 69.449 68.868 0.104 0.000 1.019 266 T HN 0.819 nan 8.240 nan 0.000 0.548 267 E N 2.248 122.472 120.200 0.039 0.000 2.338 267 E HA -0.013 -0.589 4.350 -8.210 0.000 0.197 267 E C 2.065 178.386 176.600 -0.466 0.000 1.007 267 E CA 0.924 57.152 56.400 -0.286 0.000 0.849 267 E CB -0.721 28.629 29.700 -0.584 0.000 0.774 267 E HN 0.925 nan 8.360 nan 0.000 0.506 268 G N 0.451 109.168 108.800 -0.138 0.000 2.462 268 G HA2 -0.308 -1.274 3.960 -8.210 0.000 0.220 268 G HA3 -0.308 -1.274 3.960 -8.210 0.000 0.220 268 G C 1.577 176.491 174.900 0.023 0.000 1.121 268 G CA 0.906 46.057 45.100 0.086 0.000 0.758 268 G HN 0.397 nan 8.290 nan 0.000 0.559 269 C N 0.006 119.301 119.300 -0.007 0.000 2.413 269 C HA -0.028 -0.494 4.460 -8.210 0.000 0.276 269 C C 2.934 177.903 174.990 -0.035 0.000 1.236 269 C CA 0.902 59.913 59.018 -0.012 0.000 1.735 269 C CB -0.857 26.875 27.740 -0.012 0.000 2.031 269 C HN 0.476 nan 8.230 nan 0.000 0.474 270 R N 0.343 120.791 120.500 -0.087 0.000 2.148 270 R HA -0.022 -0.608 4.340 -8.210 0.000 0.223 270 R C 2.387 178.635 176.300 -0.087 0.000 1.088 270 R CA 1.308 57.348 56.100 -0.099 0.000 0.985 270 R CB -0.536 29.669 30.300 -0.159 0.000 0.880 270 R HN 0.641 nan 8.270 nan 0.000 0.451 271 G N 0.556 109.292 108.800 -0.107 0.000 2.534 271 G HA2 -0.165 -1.131 3.960 -8.210 0.000 0.217 271 G HA3 -0.165 -1.131 3.960 -8.210 0.000 0.217 271 G C 1.096 176.043 174.900 0.078 0.000 1.128 271 G CA 0.245 45.336 45.100 -0.015 0.000 0.784 271 G HN 0.183 nan 8.290 nan 0.000 0.542 272 E N -0.108 120.133 120.200 0.068 0.000 2.474 272 E HA 0.202 -0.374 4.350 -8.210 0.000 0.195 272 E C 1.505 178.141 176.600 0.060 0.000 1.039 272 E CA 0.535 56.988 56.400 0.089 0.000 0.881 272 E CB 0.647 30.399 29.700 0.086 0.000 0.970 272 E HN 0.413 nan 8.360 nan 0.000 0.486 273 G N 0.950 109.779 108.800 0.049 0.000 2.151 273 G HA2 -0.156 -1.122 3.960 -8.210 0.000 0.140 273 G HA3 -0.156 -1.122 3.960 -8.210 0.000 0.140 273 G C 0.544 175.511 174.900 0.110 0.000 1.020 273 G CA -0.343 44.804 45.100 0.078 0.000 0.688 273 G HN 0.390 nan 8.290 nan 0.000 0.500 274 G N -0.165 108.657 108.800 0.038 0.000 2.527 274 G HA2 0.563 -0.402 3.960 -8.210 0.000 0.248 274 G HA3 0.563 -0.402 3.960 -8.210 0.000 0.248 274 G C -0.079 174.847 174.900 0.043 0.000 1.231 274 G CA -0.188 44.931 45.100 0.032 0.000 0.838 274 G HN 0.416 nan 8.290 nan 0.000 0.570 275 I N 0.944 121.552 120.570 0.064 0.000 2.569 275 I HA 0.346 -0.410 4.170 -8.210 0.000 0.296 275 I C -0.716 175.398 176.117 -0.004 0.000 1.028 275 I CA -1.099 60.204 61.300 0.005 0.000 1.082 275 I CB 1.701 39.699 38.000 -0.003 0.000 1.264 275 I HN 0.152 nan 8.210 nan 0.000 0.429 276 L N 6.357 127.534 121.223 -0.077 0.000 2.295 276 L HA 0.563 -0.023 4.340 -8.210 0.000 0.285 276 L C -0.207 176.704 176.870 0.068 0.000 1.035 276 L CA 0.018 54.850 54.840 -0.013 0.000 0.806 276 L CB 1.015 42.993 42.059 -0.134 0.000 1.214 276 L HN 0.337 nan 8.230 nan 0.000 0.426 277 I N 2.913 123.673 120.570 0.317 0.000 2.619 277 I HA 0.402 -0.353 4.170 -8.210 0.000 0.292 277 I C -0.537 175.761 176.117 0.302 0.000 1.100 277 I CA -0.912 60.595 61.300 0.344 0.000 1.043 277 I CB 2.111 40.253 38.000 0.237 0.000 1.239 277 I HN 0.630 nan 8.210 nan 0.000 0.420 278 N N 2.189 121.022 118.700 0.222 0.000 2.495 278 N HA 0.206 0.020 4.740 -8.210 0.000 0.294 278 N C 0.892 176.370 175.510 -0.052 0.000 1.276 278 N CA -0.342 52.682 53.050 -0.044 0.000 0.973 278 N CB 0.129 38.527 38.487 -0.148 0.000 1.143 278 N HN 0.571 nan 8.380 nan 0.000 0.589 279 S N -1.979 113.646 115.700 -0.125 0.000 2.419 279 S HA -0.234 -0.690 4.470 -8.210 0.000 0.233 279 S C 1.606 176.199 174.600 -0.011 0.000 1.016 279 S CA 1.019 59.166 58.200 -0.089 0.000 0.974 279 S CB -0.602 62.524 63.200 -0.123 0.000 0.786 279 S HN 0.680 nan 8.310 nan 0.000 0.492 280 Q N 0.917 120.717 119.800 -0.001 0.000 2.230 280 Q HA 0.175 -0.410 4.340 -8.210 0.000 0.202 280 Q C 1.631 177.660 176.000 0.047 0.000 0.963 280 Q CA 0.981 56.796 55.803 0.020 0.000 0.866 280 Q CB -0.226 28.522 28.738 0.017 0.000 0.931 280 Q HN 0.809 nan 8.270 nan 0.000 0.452 281 G N 0.368 109.212 108.800 0.073 0.000 2.307 281 G HA2 -0.249 -1.215 3.960 -8.210 0.000 0.210 281 G HA3 -0.249 -1.215 3.960 -8.210 0.000 0.210 281 G C -0.031 174.923 174.900 0.090 0.000 1.005 281 G CA 0.102 45.256 45.100 0.090 0.000 0.634 281 G HN 0.396 nan 8.290 nan 0.000 0.496 282 E N 1.779 122.031 120.200 0.086 0.000 2.376 282 E HA 0.178 -0.398 4.350 -8.210 0.000 0.266 282 E C 0.494 177.172 176.600 0.130 0.000 1.009 282 E CA -0.422 56.029 56.400 0.086 0.000 0.902 282 E CB 0.337 30.082 29.700 0.075 0.000 0.972 282 E HN 0.442 nan 8.360 nan 0.000 0.439 283 R N 5.222 125.764 120.500 0.070 0.000 2.488 283 R HA -0.032 -0.618 4.340 -8.210 0.000 0.306 283 R C 0.898 177.216 176.300 0.030 0.000 1.271 283 R CA -0.050 56.061 56.100 0.019 0.000 1.022 283 R CB -0.488 29.783 30.300 -0.049 0.000 1.054 283 R HN 0.583 nan 8.270 nan 0.000 0.500 284 F N 2.831 122.824 119.950 0.072 0.000 2.293 284 F HA -0.080 -0.479 4.527 -8.211 0.000 0.300 284 F C 1.258 177.190 175.800 0.220 0.000 1.086 284 F CA 0.334 58.417 58.000 0.139 0.000 1.375 284 F CB -0.129 38.975 39.000 0.174 0.000 1.045 284 F HN 0.316 nan 8.300 nan 0.000 0.516 285 M N 1.051 120.329 119.600 -0.537 0.000 2.632 285 M HA -0.073 -0.518 4.480 -8.210 0.000 0.256 285 M C 1.841 178.109 176.300 -0.052 0.000 1.080 285 M CA 0.862 55.981 55.300 -0.302 0.000 1.084 285 M CB -1.273 31.031 32.600 -0.493 0.000 1.439 285 M HN 0.471 nan 8.290 nan 0.000 0.509 286 E N -0.258 119.923 120.200 -0.031 0.000 2.299 286 E HA -0.084 -0.659 4.350 -8.210 0.000 0.193 286 E C 2.163 178.778 176.600 0.024 0.000 0.998 286 E CA 0.367 56.765 56.400 -0.003 0.000 0.851 286 E CB 0.373 30.064 29.700 -0.016 0.000 0.795 286 E HN 0.350 nan 8.360 nan 0.000 0.492 287 R N -0.907 119.618 120.500 0.042 0.000 2.090 287 R HA -0.037 -0.622 4.340 -8.210 0.000 0.219 287 R C 1.605 177.870 176.300 -0.059 0.000 1.100 287 R CA 0.713 56.792 56.100 -0.035 0.000 0.991 287 R CB 0.033 30.269 30.300 -0.106 0.000 0.893 287 R HN 0.223 nan 8.270 nan 0.000 0.443 288 Y N 0.138 120.478 120.300 0.067 0.000 2.153 288 Y HA 0.050 -0.326 4.550 -8.211 0.000 0.289 288 Y C 0.964 176.902 175.900 0.063 0.000 1.127 288 Y CA 1.034 59.182 58.100 0.079 0.000 1.131 288 Y CB 0.124 38.652 38.460 0.114 0.000 0.995 288 Y HN 0.040 nan 8.280 nan 0.000 0.505 289 A N 0.846 123.789 122.820 0.206 0.000 2.277 289 A HA 0.336 -0.270 4.320 -8.210 0.000 0.318 289 A C -1.933 175.702 177.584 0.085 0.000 1.339 289 A CA -1.555 50.565 52.037 0.140 0.000 0.875 289 A CB 0.368 19.443 19.000 0.126 0.000 1.158 289 A HN 0.038 nan 8.150 nan 0.000 0.514 290 P HA -0.120 nan 4.420 nan 0.000 0.216 290 P C 1.421 178.743 177.300 0.036 0.000 1.153 290 P CA 1.300 64.424 63.100 0.040 0.000 0.848 290 P CB 0.172 31.891 31.700 0.032 0.000 0.787 291 V N 0.711 120.656 119.914 0.051 0.000 2.326 291 V HA 0.017 -0.789 4.120 -8.210 0.000 0.237 291 V C 2.788 178.911 176.094 0.049 0.000 1.044 291 V CA 2.096 64.422 62.300 0.044 0.000 1.035 291 V CB -1.826 30.024 31.823 0.046 0.000 0.675 291 V HN 0.035 nan 8.190 nan 0.000 0.470 292 A N -1.464 121.407 122.820 0.086 0.000 2.067 292 A HA 0.031 -0.575 4.320 -8.210 0.000 0.217 292 A C 1.328 178.918 177.584 0.011 0.000 1.156 292 A CA 1.055 53.134 52.037 0.069 0.000 0.683 292 A CB -0.192 18.896 19.000 0.146 0.000 0.808 292 A HN 0.615 nan 8.150 nan 0.000 0.455 293 K N -1.500 118.908 120.400 0.013 0.000 1.882 293 K HA -0.254 -0.860 4.320 -8.210 0.000 0.199 293 K C 0.258 176.809 176.600 -0.083 0.000 1.562 293 K CA 1.585 57.853 56.287 -0.032 0.000 0.515 293 K CB -1.185 31.287 32.500 -0.047 0.000 0.682 293 K HN 0.528 nan 8.250 nan 0.000 0.843 294 D N 0.562 120.884 120.400 -0.130 0.000 2.378 294 D HA 0.020 -0.265 4.640 -8.210 0.000 0.227 294 D C 0.731 176.932 176.300 -0.164 0.000 1.012 294 D CA 0.475 54.372 54.000 -0.172 0.000 0.905 294 D CB 0.049 40.729 40.800 -0.200 0.000 0.895 294 D HN 0.202 nan 8.370 nan 0.000 0.532 295 L N 0.044 121.184 121.223 -0.137 0.000 3.034 295 L HA 0.541 -0.045 4.340 -8.210 0.000 0.245 295 L C 0.170 176.936 176.870 -0.174 0.000 1.295 295 L CA -0.637 54.111 54.840 -0.154 0.000 1.068 295 L CB -0.396 41.600 42.059 -0.105 0.000 1.426 295 L HN 0.103 nan 8.230 nan 0.000 0.531 296 A N -1.484 121.200 122.820 -0.227 0.000 2.420 296 A HA 0.717 0.111 4.320 -8.210 0.000 0.291 296 A C 0.462 177.744 177.584 -0.503 0.000 1.228 296 A CA -0.465 51.332 52.037 -0.400 0.000 0.933 296 A CB 0.317 19.156 19.000 -0.268 0.000 1.428 296 A HN 0.187 nan 8.150 nan 0.000 0.493 297 S N 0.032 115.261 115.700 -0.785 0.000 2.558 297 S HA 0.030 -0.425 4.470 -8.210 0.000 0.287 297 S C 1.513 175.949 174.600 -0.272 0.000 1.321 297 S CA -0.328 57.577 58.200 -0.492 0.000 1.048 297 S CB 0.255 63.219 63.200 -0.394 0.000 0.844 297 S HN 0.572 nan 8.310 nan 0.000 0.512 298 R N 1.935 122.313 120.500 -0.202 0.000 2.096 298 R HA -0.113 -0.699 4.340 -8.210 0.000 0.235 298 R C 1.767 177.996 176.300 -0.118 0.000 1.127 298 R CA 1.653 57.642 56.100 -0.185 0.000 0.968 298 R CB -0.597 29.610 30.300 -0.155 0.000 0.861 298 R HN 0.821 nan 8.270 nan 0.000 0.440 299 D N 0.074 120.435 120.400 -0.065 0.000 2.224 299 D HA -0.076 -0.362 4.640 -8.210 0.000 0.205 299 D C 1.794 178.054 176.300 -0.065 0.000 0.965 299 D CA 0.674 54.656 54.000 -0.031 0.000 0.852 299 D CB -0.240 40.574 40.800 0.024 0.000 0.947 299 D HN 0.036 nan 8.370 nan 0.000 0.494 300 V N 0.853 120.729 119.914 -0.063 0.000 2.535 300 V HA -0.138 -0.943 4.120 -8.210 0.000 0.246 300 V C 2.886 178.935 176.094 -0.076 0.000 1.045 300 V CA 0.728 63.005 62.300 -0.037 0.000 1.058 300 V CB -0.061 31.772 31.823 0.016 0.000 0.689 300 V HN 0.071 nan 8.190 nan 0.000 0.461 301 V N 1.297 121.145 119.914 -0.109 0.000 2.270 301 V HA -0.212 -1.018 4.120 -8.210 0.000 0.245 301 V C 2.721 178.765 176.094 -0.082 0.000 1.043 301 V CA 2.354 64.588 62.300 -0.110 0.000 1.014 301 V CB -0.861 30.874 31.823 -0.147 0.000 0.645 301 V HN 0.741 nan 8.190 nan 0.000 0.447 302 S N 0.169 115.815 115.700 -0.090 0.000 2.447 302 S HA -0.213 -0.669 4.470 -8.210 0.000 0.233 302 S C 1.979 176.502 174.600 -0.129 0.000 1.006 302 S CA 1.329 59.484 58.200 -0.075 0.000 0.957 302 S CB -0.403 62.771 63.200 -0.043 0.000 0.773 302 S HN 0.467 nan 8.310 nan 0.000 0.507 303 R N 1.723 122.126 120.500 -0.161 0.000 2.075 303 R HA 0.096 -0.490 4.340 -8.210 0.000 0.232 303 R C 2.400 178.643 176.300 -0.095 0.000 1.126 303 R CA 1.697 57.685 56.100 -0.186 0.000 0.963 303 R CB -0.710 29.491 30.300 -0.164 0.000 0.858 303 R HN 0.484 nan 8.270 nan 0.000 0.435 304 S N 0.096 115.652 115.700 -0.240 0.000 2.383 304 S HA -0.126 -0.582 4.470 -8.210 0.000 0.227 304 S C 1.876 176.271 174.600 -0.341 0.000 1.026 304 S CA 1.463 59.297 58.200 -0.610 0.000 0.981 304 S CB -0.162 62.523 63.200 -0.858 0.000 0.818 304 S HN 0.278 nan 8.310 nan 0.000 0.472 305 M N 1.252 120.780 119.600 -0.119 0.000 2.067 305 M HA -0.108 -0.553 4.480 -8.210 0.000 0.260 305 M C 2.332 178.544 176.300 -0.147 0.000 1.069 305 M CA 1.511 56.733 55.300 -0.129 0.000 1.117 305 M CB -1.247 31.363 32.600 0.017 0.000 1.334 305 M HN 0.251 nan 8.290 nan 0.000 0.407 306 T N 0.968 115.484 114.554 -0.064 0.000 2.881 306 T HA -0.111 -0.687 4.350 -8.210 0.000 0.270 306 T C 1.698 176.412 174.700 0.023 0.000 1.068 306 T CA 0.966 63.067 62.100 0.001 0.000 1.131 306 T CB -0.222 68.678 68.868 0.053 0.000 0.871 306 T HN 0.163 nan 8.240 nan 0.000 0.479 307 L N 0.873 122.110 121.223 0.023 0.000 2.179 307 L HA 0.088 -0.498 4.340 -8.210 0.000 0.208 307 L C 2.406 179.240 176.870 -0.061 0.000 1.096 307 L CA 1.445 56.285 54.840 -0.001 0.000 0.779 307 L CB -0.355 41.752 42.059 0.081 0.000 0.922 307 L HN 0.050 nan 8.230 nan 0.000 0.443 308 E N -0.375 119.732 120.200 -0.156 0.000 2.152 308 E HA -0.136 -0.712 4.350 -8.210 0.000 0.192 308 E C 2.277 178.762 176.600 -0.191 0.000 0.983 308 E CA 1.214 57.483 56.400 -0.219 0.000 0.818 308 E CB -0.071 29.324 29.700 -0.509 0.000 0.758 308 E HN 0.534 nan 8.360 nan 0.000 0.467 309 I N 0.643 121.111 120.570 -0.171 0.000 2.202 309 I HA -0.234 -0.990 4.170 -8.210 0.000 0.242 309 I C 2.642 178.700 176.117 -0.098 0.000 1.091 309 I CA 0.853 62.073 61.300 -0.132 0.000 1.368 309 I CB -0.258 37.687 38.000 -0.092 0.000 1.058 309 I HN -0.036 nan 8.210 nan 0.000 0.410 310 R N 0.914 121.362 120.500 -0.086 0.000 2.119 310 R HA -0.210 -0.796 4.340 -8.210 0.000 0.246 310 R C 1.138 177.387 176.300 -0.084 0.000 1.146 310 R CA 1.635 57.683 56.100 -0.087 0.000 0.962 310 R CB -0.295 29.935 30.300 -0.116 0.000 0.863 310 R HN 0.485 nan 8.270 nan 0.000 0.442 311 E N -1.136 119.014 120.200 -0.084 0.000 2.370 311 E HA 0.135 -0.441 4.350 -8.210 0.000 0.194 311 E C 0.610 177.165 176.600 -0.074 0.000 1.057 311 E CA 0.256 56.613 56.400 -0.072 0.000 1.011 311 E CB 0.913 30.579 29.700 -0.057 0.000 1.132 311 E HN 0.537 nan 8.360 nan 0.000 0.450 312 G N 1.933 110.683 108.800 -0.084 0.000 2.253 312 G HA2 -0.356 -1.321 3.960 -8.210 0.000 0.251 312 G HA3 -0.356 -1.321 3.960 -8.210 0.000 0.251 312 G C 0.728 175.564 174.900 -0.106 0.000 0.998 312 G CA -0.151 44.898 45.100 -0.084 0.000 0.621 312 G HN 0.220 nan 8.290 nan 0.000 0.524 313 R N 1.873 122.299 120.500 -0.123 0.000 4.164 313 R HA 0.494 -0.092 4.340 -8.210 0.000 0.195 313 R C 1.530 177.700 176.300 -0.217 0.000 1.712 313 R CA 0.742 56.751 56.100 -0.152 0.000 1.457 313 R CB -0.162 30.052 30.300 -0.144 0.000 1.387 313 R HN 0.479 nan 8.270 nan 0.000 0.785 314 G N -1.038 107.627 108.800 -0.224 0.000 2.624 314 G HA2 0.092 -0.874 3.960 -8.210 0.000 0.217 314 G HA3 0.092 -0.874 3.960 -8.210 0.000 0.217 314 G C 0.399 175.040 174.900 -0.431 0.000 1.506 314 G CA -0.176 44.734 45.100 -0.316 0.000 1.072 314 G HN 0.508 nan 8.290 nan 0.000 0.568 315 C N -2.441 116.487 119.300 -0.621 0.000 3.071 315 C HA 0.478 0.012 4.460 -8.210 0.000 0.408 315 C C 1.865 176.546 174.990 -0.514 0.000 1.708 315 C CA 0.622 59.192 59.018 -0.746 0.000 2.195 315 C CB -0.151 26.826 27.740 -1.273 0.000 2.436 315 C HN 0.859 nan 8.230 nan 0.000 0.572 316 G N 1.835 110.230 108.800 -0.675 0.000 2.514 316 G HA2 0.282 -0.684 3.960 -8.210 0.000 0.245 316 G HA3 0.282 -0.684 3.960 -8.210 0.000 0.245 316 G C -1.122 173.723 174.900 -0.092 0.000 1.488 316 G CA 0.433 45.429 45.100 -0.174 0.000 1.063 316 G HN 0.337 nan 8.290 nan 0.000 0.557 317 P HA 0.029 nan 4.420 nan 0.000 0.225 317 P C 0.961 178.264 177.300 0.004 0.000 1.156 317 P CA 1.036 64.147 63.100 0.017 0.000 0.787 317 P CB 0.415 32.151 31.700 0.060 0.000 0.802 318 E N 0.163 120.367 120.200 0.007 0.000 2.447 318 E HA 0.054 -0.522 4.350 -8.210 0.000 0.195 318 E C 0.116 176.684 176.600 -0.054 0.000 1.028 318 E CA 0.041 56.450 56.400 0.016 0.000 0.876 318 E CB -0.401 29.361 29.700 0.103 0.000 0.885 318 E HN -0.056 nan 8.360 nan 0.000 0.500 319 K N 1.336 121.643 120.400 -0.154 0.000 3.689 319 K HA -0.177 -0.783 4.320 -8.210 0.000 0.276 319 K C -0.857 175.620 176.600 -0.205 0.000 0.932 319 K CA 0.833 56.979 56.287 -0.236 0.000 0.758 319 K CB -1.316 31.087 32.500 -0.162 0.000 1.500 319 K HN 0.356 nan 8.250 nan 0.000 0.448 320 D N -1.087 119.166 120.400 -0.245 0.000 2.538 320 D HA 0.010 -0.276 4.640 -8.210 0.000 0.241 320 D C 0.470 176.752 176.300 -0.030 0.000 1.297 320 D CA 0.039 53.996 54.000 -0.072 0.000 0.804 320 D CB 0.135 40.994 40.800 0.099 0.000 1.122 320 D HN 0.619 nan 8.370 nan 0.000 0.519 321 H N -1.994 116.952 119.070 -0.206 0.000 2.960 321 H HA 0.790 0.420 4.556 -8.210 0.000 0.303 321 H C -1.286 173.895 175.328 -0.244 0.000 1.412 321 H CA -1.016 54.919 56.048 -0.188 0.000 1.227 321 H CB 1.388 30.984 29.762 -0.277 0.000 1.912 321 H HN -0.182 nan 8.280 nan 0.000 0.583 322 V N 0.156 120.081 119.914 0.019 0.000 3.102 322 V HA 0.267 -0.538 4.120 -8.210 0.000 0.312 322 V C -1.234 174.943 176.094 0.139 0.000 1.135 322 V CA -0.791 61.471 62.300 -0.063 0.000 1.022 322 V CB 2.304 34.133 31.823 0.011 0.000 1.056 322 V HN 0.577 nan 8.190 nan 0.000 0.436 323 Y N 1.691 122.084 120.300 0.156 0.000 2.361 323 Y HA 0.606 0.230 4.550 -8.209 0.000 0.332 323 Y C 0.016 175.987 175.900 0.117 0.000 1.101 323 Y CA -1.389 56.795 58.100 0.140 0.000 1.137 323 Y CB 1.455 39.989 38.460 0.123 0.000 1.207 323 Y HN 0.350 nan 8.280 nan 0.000 0.463 324 L N 3.845 125.222 121.223 0.257 0.000 2.294 324 L HA 0.404 -0.182 4.340 -8.210 0.000 0.283 324 L C -0.412 176.487 176.870 0.048 0.000 1.015 324 L CA -0.492 54.423 54.840 0.124 0.000 0.831 324 L CB 1.001 43.112 42.059 0.087 0.000 1.217 324 L HN 0.644 nan 8.230 nan 0.000 0.420 325 Q N 3.866 123.669 119.800 0.005 0.000 2.235 325 Q HA 0.384 -0.201 4.340 -8.210 0.000 0.250 325 Q C -0.344 175.557 176.000 -0.165 0.000 0.909 325 Q CA -0.300 55.407 55.803 -0.160 0.000 0.910 325 Q CB 1.417 30.052 28.738 -0.170 0.000 1.223 325 Q HN 0.785 nan 8.270 nan 0.000 0.432 326 L N 2.860 123.906 121.223 -0.294 0.000 3.386 326 L HA 0.161 -0.425 4.340 -8.210 0.000 0.307 326 L C 0.916 177.656 176.870 -0.217 0.000 1.235 326 L CA -0.090 54.594 54.840 -0.259 0.000 1.056 326 L CB 0.248 42.240 42.059 -0.111 0.000 1.453 326 L HN 0.783 nan 8.230 nan 0.000 0.615 327 H N -0.507 118.526 119.070 -0.061 0.000 2.321 327 H HA -0.157 -0.526 4.556 -8.209 0.000 0.300 327 H C 2.117 177.428 175.328 -0.028 0.000 1.087 327 H CA 1.719 57.758 56.048 -0.015 0.000 1.319 327 H CB -0.148 29.646 29.762 0.053 0.000 1.379 327 H HN 0.457 nan 8.280 nan 0.000 0.501 328 H N 0.557 119.668 119.070 0.069 0.000 2.457 328 H HA -0.016 -0.386 4.556 -8.210 0.000 0.294 328 H C 0.561 175.906 175.328 0.029 0.000 1.064 328 H CA 0.239 56.313 56.048 0.043 0.000 1.330 328 H CB -0.348 29.423 29.762 0.015 0.000 1.395 328 H HN 0.149 nan 8.280 nan 0.000 0.541 329 L N 3.317 124.318 121.223 -0.371 0.000 2.455 329 L HA 0.197 -0.389 4.340 -8.210 0.000 0.272 329 L C -1.978 174.849 176.870 -0.072 0.000 1.174 329 L CA -1.856 52.869 54.840 -0.192 0.000 0.869 329 L CB 0.376 42.292 42.059 -0.239 0.000 1.130 329 L HN 0.065 nan 8.230 nan 0.000 0.474 330 P HA 0.072 nan 4.420 nan 0.000 0.265 330 P C -1.846 175.443 177.300 -0.018 0.000 1.193 330 P CA -0.846 62.248 63.100 -0.010 0.000 0.765 330 P CB 0.099 31.798 31.700 -0.001 0.000 0.823 331 P HA -0.233 nan 4.420 nan 0.000 0.216 331 P C 1.434 178.724 177.300 -0.015 0.000 1.150 331 P CA 1.469 64.562 63.100 -0.012 0.000 0.843 331 P CB -0.184 31.512 31.700 -0.007 0.000 0.787 332 E N 0.339 120.530 120.200 -0.015 0.000 2.153 332 E HA -0.248 -0.824 4.350 -8.210 0.000 0.194 332 E C 2.011 178.596 176.600 -0.025 0.000 0.988 332 E CA 1.197 57.586 56.400 -0.019 0.000 0.811 332 E CB -1.001 28.689 29.700 -0.017 0.000 0.746 332 E HN 0.357 nan 8.360 nan 0.000 0.466 333 Q N 0.606 120.392 119.800 -0.024 0.000 2.079 333 Q HA -0.057 -0.643 4.340 -8.210 0.000 0.200 333 Q C 2.541 178.527 176.000 -0.023 0.000 0.974 333 Q CA 1.045 56.833 55.803 -0.025 0.000 0.840 333 Q CB -0.013 28.715 28.738 -0.016 0.000 0.898 333 Q HN 0.351 nan 8.270 nan 0.000 0.430 334 L N -0.140 121.069 121.223 -0.023 0.000 2.141 334 L HA -0.129 -0.715 4.340 -8.210 0.000 0.209 334 L C 2.413 179.274 176.870 -0.014 0.000 1.094 334 L CA 0.964 55.793 54.840 -0.019 0.000 0.763 334 L CB -0.444 41.603 42.059 -0.021 0.000 0.908 334 L HN 0.215 nan 8.230 nan 0.000 0.437 335 A N -0.674 122.135 122.820 -0.018 0.000 1.975 335 A HA -0.016 -0.622 4.320 -8.210 0.000 0.215 335 A C 2.247 179.817 177.584 -0.024 0.000 1.170 335 A CA 1.053 53.079 52.037 -0.018 0.000 0.656 335 A CB -0.342 18.648 19.000 -0.018 0.000 0.821 335 A HN 0.165 nan 8.150 nan 0.000 0.449 336 V N -0.275 119.618 119.914 -0.035 0.000 2.426 336 V HA -0.068 -0.873 4.120 -8.210 0.000 0.242 336 V C 2.580 178.642 176.094 -0.054 0.000 1.036 336 V CA 1.404 63.672 62.300 -0.054 0.000 1.044 336 V CB -0.627 31.148 31.823 -0.080 0.000 0.688 336 V HN 0.384 nan 8.190 nan 0.000 0.462 337 R N 0.250 120.725 120.500 -0.041 0.000 2.080 337 R HA 0.234 -0.351 4.340 -8.210 0.000 0.222 337 R C 0.939 177.258 176.300 0.031 0.000 1.107 337 R CA 0.862 56.957 56.100 -0.007 0.000 0.980 337 R CB -0.254 30.059 30.300 0.022 0.000 0.879 337 R HN 0.396 nan 8.270 nan 0.000 0.439 338 L N 1.952 123.186 121.223 0.018 0.000 2.913 338 L HA 0.288 -0.297 4.340 -8.210 0.000 0.283 338 L C -1.813 175.064 176.870 0.011 0.000 1.336 338 L CA -1.052 53.803 54.840 0.025 0.000 0.815 338 L CB 1.643 43.718 42.059 0.026 0.000 1.188 338 L HN -0.091 nan 8.230 nan 0.000 0.551 339 P HA -0.046 nan 4.420 nan 0.000 0.225 339 P C 1.553 178.853 177.300 0.001 0.000 1.156 339 P CA 0.920 64.019 63.100 -0.002 0.000 0.787 339 P CB 0.471 32.166 31.700 -0.010 0.000 0.802 340 G N 1.888 110.690 108.800 0.003 0.000 2.433 340 G HA2 -0.242 -1.207 3.960 -8.210 0.000 0.216 340 G HA3 -0.242 -1.207 3.960 -8.210 0.000 0.216 340 G C 1.567 176.476 174.900 0.015 0.000 1.186 340 G CA 1.192 46.293 45.100 0.002 0.000 0.779 340 G HN 0.405 nan 8.290 nan 0.000 0.543 341 I N -1.301 119.280 120.570 0.018 0.000 2.315 341 I HA -0.012 -0.768 4.170 -8.210 0.000 0.248 341 I C 2.589 178.724 176.117 0.030 0.000 1.117 341 I CA 1.763 63.077 61.300 0.023 0.000 1.404 341 I CB -0.538 37.473 38.000 0.017 0.000 1.071 341 I HN -0.001 nan 8.210 nan 0.000 0.419 342 S N 0.519 116.232 115.700 0.021 0.000 2.380 342 S HA -0.286 -0.741 4.470 -8.210 0.000 0.229 342 S C 2.006 176.621 174.600 0.025 0.000 1.043 342 S CA 2.159 60.371 58.200 0.019 0.000 1.038 342 S CB -0.450 62.755 63.200 0.008 0.000 0.872 342 S HN 0.668 nan 8.310 nan 0.000 0.456 343 E N 0.103 120.319 120.200 0.027 0.000 2.051 343 E HA -0.110 -0.686 4.350 -8.210 0.000 0.189 343 E C 2.149 178.790 176.600 0.069 0.000 0.979 343 E CA 1.473 57.891 56.400 0.031 0.000 0.803 343 E CB -0.068 29.643 29.700 0.019 0.000 0.761 343 E HN 0.691 nan 8.360 nan 0.000 0.451 344 T N -1.495 113.121 114.554 0.104 0.000 3.035 344 T HA 0.109 -0.467 4.350 -8.210 0.000 0.268 344 T C 1.810 176.653 174.700 0.237 0.000 1.109 344 T CA 0.707 62.939 62.100 0.219 0.000 1.119 344 T CB 0.094 69.072 68.868 0.183 0.000 0.900 344 T HN 0.170 nan 8.240 nan 0.000 0.503 345 A N 1.455 124.351 122.820 0.126 0.000 1.930 345 A HA 0.241 -0.365 4.320 -8.210 0.000 0.215 345 A C 2.258 179.901 177.584 0.098 0.000 1.176 345 A CA 1.458 53.559 52.037 0.106 0.000 0.632 345 A CB -0.591 18.446 19.000 0.062 0.000 0.819 345 A HN 0.475 nan 8.150 nan 0.000 0.445 346 M N 0.017 119.658 119.600 0.069 0.000 2.200 346 M HA 0.083 -0.363 4.480 -8.210 0.000 0.265 346 M C 1.696 178.009 176.300 0.020 0.000 1.066 346 M CA 1.490 56.813 55.300 0.037 0.000 1.127 346 M CB -0.588 32.022 32.600 0.017 0.000 1.379 346 M HN 0.340 nan 8.290 nan 0.000 0.420 347 I N -0.880 119.702 120.570 0.020 0.000 2.202 347 I HA -0.256 -1.012 4.170 -8.210 0.000 0.242 347 I C 1.659 177.654 176.117 -0.204 0.000 1.091 347 I CA 1.386 62.616 61.300 -0.117 0.000 1.368 347 I CB -0.338 37.556 38.000 -0.176 0.000 1.058 347 I HN 0.207 nan 8.210 nan 0.000 0.410 348 F N -0.007 119.946 119.950 0.005 0.000 2.274 348 F HA 0.147 -0.251 4.527 -8.208 0.000 0.288 348 F C 2.321 178.131 175.800 0.015 0.000 1.069 348 F CA 0.904 58.909 58.000 0.007 0.000 1.343 348 F CB -0.333 38.669 39.000 0.003 0.000 1.089 348 F HN -0.104 nan 8.300 nan 0.000 0.517 349 A N -0.500 122.441 122.820 0.202 0.000 2.308 349 A HA 0.458 -0.148 4.320 -8.210 0.000 0.217 349 A C 1.738 179.370 177.584 0.080 0.000 1.216 349 A CA 0.580 52.695 52.037 0.131 0.000 0.864 349 A CB -0.981 18.089 19.000 0.117 0.000 0.902 349 A HN 0.534 nan 8.150 nan 0.000 0.499 350 G N -0.649 108.185 108.800 0.057 0.000 2.249 350 G HA2 -0.179 -1.145 3.960 -8.210 0.000 0.273 350 G HA3 -0.179 -1.145 3.960 -8.210 0.000 0.273 350 G C 0.017 174.932 174.900 0.024 0.000 1.036 350 G CA 0.411 45.528 45.100 0.028 0.000 0.824 350 G HN 0.822 nan 8.290 nan 0.000 0.504 351 V N 0.561 120.494 119.914 0.031 0.000 2.347 351 V HA 0.363 -0.442 4.120 -8.210 0.000 0.280 351 V C 0.225 176.327 176.094 0.014 0.000 1.021 351 V CA -0.697 61.614 62.300 0.018 0.000 0.847 351 V CB 1.773 33.608 31.823 0.021 0.000 0.990 351 V HN 0.355 nan 8.190 nan 0.000 0.444 352 D N 4.230 124.632 120.400 0.002 0.000 2.367 352 D HA 0.087 -0.199 4.640 -8.210 0.000 0.255 352 D C 1.313 177.619 176.300 0.010 0.000 1.300 352 D CA -0.020 53.981 54.000 0.001 0.000 0.959 352 D CB 1.211 42.005 40.800 -0.010 0.000 1.064 352 D HN 0.385 nan 8.370 nan 0.000 0.509 353 V N 2.089 122.014 119.914 0.019 0.000 2.313 353 V HA -0.291 -1.097 4.120 -8.210 0.000 0.253 353 V C 2.153 178.273 176.094 0.044 0.000 1.070 353 V CA 2.267 64.585 62.300 0.029 0.000 1.057 353 V CB -1.592 30.241 31.823 0.017 0.000 0.653 353 V HN 0.570 nan 8.190 nan 0.000 0.450 354 T N -1.562 113.007 114.554 0.025 0.000 3.035 354 T HA -0.060 -0.636 4.350 -8.210 0.000 0.268 354 T C 1.710 176.429 174.700 0.032 0.000 1.109 354 T CA 1.840 63.955 62.100 0.025 0.000 1.119 354 T CB -0.170 68.701 68.868 0.005 0.000 0.900 354 T HN 0.694 nan 8.240 nan 0.000 0.503 355 K N -0.686 119.718 120.400 0.006 0.000 2.380 355 K HA 0.224 -0.382 4.320 -8.210 0.000 0.200 355 K C 0.265 176.736 176.600 -0.215 0.000 1.201 355 K CA 0.127 56.362 56.287 -0.087 0.000 0.916 355 K CB 0.753 33.205 32.500 -0.080 0.000 1.187 355 K HN 0.171 nan 8.250 nan 0.000 0.498 356 E N 1.114 121.277 120.200 -0.062 0.000 2.263 356 E HA 0.343 -0.233 4.350 -8.210 0.000 0.264 356 E C -2.652 174.037 176.600 0.148 0.000 0.923 356 E CA -2.260 54.110 56.400 -0.050 0.000 0.802 356 E CB 1.788 31.444 29.700 -0.074 0.000 1.228 356 E HN -0.044 nan 8.360 nan 0.000 0.417 357 P HA 0.350 nan 4.420 nan 0.000 0.282 357 P C -0.330 176.902 177.300 -0.113 0.000 1.259 357 P CA -0.564 62.530 63.100 -0.010 0.000 0.826 357 P CB 0.921 32.540 31.700 -0.135 0.000 1.064 358 I N 1.580 122.143 120.570 -0.011 0.000 2.365 358 I HA 0.237 -0.518 4.170 -8.210 0.000 0.291 358 I C -2.164 174.054 176.117 0.168 0.000 1.004 358 I CA -3.228 58.101 61.300 0.049 0.000 1.311 358 I CB 0.578 38.615 38.000 0.061 0.000 1.401 358 I HN 0.122 nan 8.210 nan 0.000 0.491 359 P HA 0.119 nan 4.420 nan 0.000 0.268 359 P C -0.322 177.055 177.300 0.129 0.000 1.282 359 P CA 0.081 63.306 63.100 0.208 0.000 0.880 359 P CB 0.418 32.028 31.700 -0.151 0.000 0.971 360 V N 2.630 122.667 119.914 0.205 0.000 2.732 360 V HA 0.772 -0.034 4.120 -8.210 0.000 0.310 360 V C -0.483 175.720 176.094 0.181 0.000 1.053 360 V CA -1.212 61.186 62.300 0.164 0.000 0.957 360 V CB 1.945 33.856 31.823 0.146 0.000 1.018 360 V HN 0.309 nan 8.190 nan 0.000 0.452 361 L N 3.849 125.171 121.223 0.165 0.000 2.513 361 L HA 0.719 0.133 4.340 -8.210 0.000 0.261 361 L C -2.852 174.102 176.870 0.139 0.000 0.945 361 L CA -1.635 53.306 54.840 0.169 0.000 0.848 361 L CB 2.822 45.025 42.059 0.240 0.000 1.334 361 L HN 0.575 nan 8.230 nan 0.000 0.407 362 P HA 0.164 nan 4.420 nan 0.000 0.261 362 P C -0.986 176.457 177.300 0.238 0.000 1.203 362 P CA 0.171 63.361 63.100 0.151 0.000 0.767 362 P CB 0.091 31.835 31.700 0.073 0.000 0.785 363 T N -0.315 114.379 114.554 0.233 0.000 2.916 363 T HA 0.363 -0.213 4.350 -8.210 0.000 0.292 363 T C 0.008 174.722 174.700 0.024 0.000 1.055 363 T CA -0.937 61.269 62.100 0.177 0.000 1.009 363 T CB 0.821 69.722 68.868 0.056 0.000 1.118 363 T HN 0.026 nan 8.240 nan 0.000 0.497 364 V N 2.676 122.428 119.914 -0.270 0.000 2.617 364 V HA 0.142 -0.664 4.120 -8.210 0.000 0.304 364 V C 1.007 176.981 176.094 -0.201 0.000 1.040 364 V CA 0.858 62.800 62.300 -0.597 0.000 1.149 364 V CB 0.074 31.435 31.823 -0.770 0.000 0.914 364 V HN 1.158 nan 8.190 nan 0.000 0.487 365 H N 4.095 123.001 119.070 -0.274 0.000 2.010 365 H HA 0.291 -0.079 4.556 -8.211 0.000 0.175 365 H C -0.526 174.786 175.328 -0.027 0.000 0.966 365 H CA 0.226 56.228 56.048 -0.077 0.000 1.080 365 H CB 0.448 30.253 29.762 0.072 0.000 1.072 365 H HN 0.537 nan 8.280 nan 0.000 0.373 366 Y N 1.191 121.343 120.300 -0.246 0.000 2.425 366 Y HA 0.421 0.045 4.550 -8.211 0.000 0.344 366 Y C -1.392 174.356 175.900 -0.253 0.000 0.969 366 Y CA -1.130 56.787 58.100 -0.305 0.000 1.052 366 Y CB 1.365 39.684 38.460 -0.235 0.000 1.215 366 Y HN 0.219 nan 8.280 nan 0.000 0.451 367 N N 6.979 125.109 118.700 -0.950 0.000 2.527 367 N HA 0.166 -0.019 4.740 -8.210 0.000 0.236 367 N C 0.758 175.806 175.510 -0.770 0.000 0.999 367 N CA -0.437 52.163 53.050 -0.749 0.000 0.935 367 N CB 0.863 38.836 38.487 -0.856 0.000 1.132 367 N HN 0.637 nan 8.380 nan 0.000 0.511 368 M N -0.395 119.053 119.600 -0.254 0.000 2.419 368 M HA 0.139 -0.307 4.480 -8.210 0.000 0.264 368 M C 0.951 177.291 176.300 0.067 0.000 1.082 368 M CA 0.400 55.736 55.300 0.059 0.000 1.119 368 M CB -0.899 31.855 32.600 0.256 0.000 1.398 368 M HN 0.287 nan 8.290 nan 0.000 0.453 369 G N 0.327 109.177 108.800 0.084 0.000 2.606 369 G HA2 0.488 -0.478 3.960 -8.210 0.000 0.252 369 G HA3 0.488 -0.478 3.960 -8.210 0.000 0.252 369 G C 0.132 175.084 174.900 0.087 0.000 1.206 369 G CA 0.236 45.417 45.100 0.135 0.000 0.861 369 G HN 0.628 nan 8.290 nan 0.000 0.561 370 G N -0.821 108.015 108.800 0.059 0.000 2.512 370 G HA2 0.286 -0.680 3.960 -8.210 0.000 0.181 370 G HA3 0.286 -0.680 3.960 -8.210 0.000 0.181 370 G C -1.065 173.811 174.900 -0.041 0.000 1.173 370 G CA -0.786 44.327 45.100 0.022 0.000 0.988 370 G HN 0.763 nan 8.290 nan 0.000 0.485 371 I N 2.864 123.398 120.570 -0.060 0.000 2.352 371 I HA 0.311 -0.445 4.170 -8.210 0.000 0.290 371 I C -2.147 173.906 176.117 -0.107 0.000 1.036 371 I CA -1.679 59.568 61.300 -0.087 0.000 1.336 371 I CB 1.651 39.603 38.000 -0.079 0.000 1.407 371 I HN 0.054 nan 8.210 nan 0.000 0.497 372 P HA 0.036 nan 4.420 nan 0.000 0.262 372 P C -0.828 176.393 177.300 -0.132 0.000 1.182 372 P CA 0.319 63.336 63.100 -0.139 0.000 0.761 372 P CB 0.451 32.077 31.700 -0.123 0.000 0.795 373 T N 1.912 116.378 114.554 -0.146 0.000 2.933 373 T HA 0.270 -0.305 4.350 -8.210 0.000 0.305 373 T C -0.105 174.521 174.700 -0.124 0.000 1.092 373 T CA -0.771 61.241 62.100 -0.146 0.000 1.008 373 T CB 1.284 70.046 68.868 -0.176 0.000 1.102 373 T HN 0.232 nan 8.240 nan 0.000 0.469 374 N N 0.008 118.636 118.700 -0.120 0.000 2.297 374 N HA 0.085 -0.101 4.740 -8.210 0.000 0.232 374 N C 1.012 176.490 175.510 -0.054 0.000 1.311 374 N CA -0.094 52.896 53.050 -0.101 0.000 0.897 374 N CB 0.373 38.738 38.487 -0.203 0.000 1.137 374 N HN 0.836 nan 8.380 nan 0.000 0.449 375 Y N -0.572 119.715 120.300 -0.022 0.000 2.571 375 Y HA 0.120 -0.256 4.550 -8.211 0.000 0.294 375 Y C 1.094 176.964 175.900 -0.050 0.000 1.141 375 Y CA 0.769 58.892 58.100 0.038 0.000 1.308 375 Y CB 0.056 38.513 38.460 -0.004 0.000 1.002 375 Y HN 0.302 nan 8.280 nan 0.000 0.551 376 K N 0.243 120.285 120.400 -0.597 0.000 2.374 376 K HA 0.280 -0.326 4.320 -8.210 0.000 0.196 376 K C 1.267 177.827 176.600 -0.067 0.000 1.023 376 K CA 0.492 56.501 56.287 -0.463 0.000 1.103 376 K CB 0.264 32.426 32.500 -0.563 0.000 0.848 376 K HN 0.614 nan 8.250 nan 0.000 0.528 377 G N 1.598 110.400 108.800 0.003 0.000 2.195 377 G HA2 -0.277 -1.243 3.960 -8.210 0.000 0.246 377 G HA3 -0.277 -1.243 3.960 -8.210 0.000 0.246 377 G C -0.166 174.773 174.900 0.064 0.000 0.984 377 G CA -0.260 44.919 45.100 0.130 0.000 0.633 377 G HN 0.359 nan 8.290 nan 0.000 0.525 378 Q N 0.734 120.437 119.800 -0.162 0.000 2.297 378 Q HA 0.477 -0.109 4.340 -8.210 0.000 0.267 378 Q C 0.378 176.190 176.000 -0.314 0.000 1.006 378 Q CA -0.346 55.160 55.803 -0.496 0.000 0.896 378 Q CB 2.095 30.572 28.738 -0.437 0.000 1.186 378 Q HN 0.188 nan 8.270 nan 0.000 0.392 379 V N 4.984 124.701 119.914 -0.329 0.000 2.521 379 V HA 0.050 -0.756 4.120 -8.210 0.000 0.286 379 V C 0.224 176.222 176.094 -0.161 0.000 1.034 379 V CA 0.142 62.324 62.300 -0.198 0.000 1.045 379 V CB 0.155 31.881 31.823 -0.163 0.000 0.974 379 V HN 0.565 nan 8.190 nan 0.000 0.480 380 L N 6.667 127.822 121.223 -0.113 0.000 2.295 380 L HA 0.645 0.059 4.340 -8.210 0.000 0.285 380 L C 0.417 177.269 176.870 -0.029 0.000 1.035 380 L CA -0.569 54.231 54.840 -0.067 0.000 0.806 380 L CB 1.305 43.339 42.059 -0.042 0.000 1.214 380 L HN 0.737 nan 8.230 nan 0.000 0.426 381 R N 0.169 120.670 120.500 0.001 0.000 2.691 381 R HA 0.519 -0.067 4.340 -8.210 0.000 0.259 381 R C -0.898 175.479 176.300 0.127 0.000 1.048 381 R CA -0.862 55.274 56.100 0.059 0.000 1.086 381 R CB 1.082 31.409 30.300 0.046 0.000 1.166 381 R HN 0.491 nan 8.270 nan 0.000 0.526 382 H N 0.594 119.706 119.070 0.069 0.000 2.718 382 H HA 0.409 0.042 4.556 -8.204 0.000 0.295 382 H C -1.544 173.819 175.328 0.058 0.000 1.051 382 H CA -0.478 55.613 56.048 0.071 0.000 1.260 382 H CB 1.133 30.960 29.762 0.108 0.000 1.403 382 H HN 0.361 nan 8.280 nan 0.000 0.488 383 V N 5.895 125.669 119.914 -0.234 0.000 2.448 383 V HA 0.175 -0.630 4.120 -8.210 0.000 0.295 383 V C 0.539 176.478 176.094 -0.258 0.000 1.025 383 V CA -0.925 61.266 62.300 -0.181 0.000 0.859 383 V CB 1.394 33.158 31.823 -0.098 0.000 0.988 383 V HN 1.124 nan 8.190 nan 0.000 0.431 384 N N 3.798 122.385 118.700 -0.188 0.000 2.714 384 N HA -0.227 -0.413 4.740 -8.210 0.000 0.253 384 N C 1.107 176.500 175.510 -0.196 0.000 1.024 384 N CA 0.652 53.614 53.050 -0.147 0.000 0.726 384 N CB -0.555 37.871 38.487 -0.103 0.000 0.908 384 N HN 1.481 nan 8.380 nan 0.000 0.542 385 G N -0.587 108.049 108.800 -0.274 0.000 2.205 385 G HA2 -0.347 -1.313 3.960 -8.210 0.000 0.269 385 G HA3 -0.347 -1.313 3.960 -8.210 0.000 0.269 385 G C -0.035 174.684 174.900 -0.301 0.000 0.977 385 G CA 1.226 46.209 45.100 -0.195 0.000 0.652 385 G HN 0.649 nan 8.290 nan 0.000 0.539 386 Q N -0.119 119.411 119.800 -0.450 0.000 2.399 386 Q HA 0.510 -0.076 4.340 -8.210 0.000 0.276 386 Q C -1.028 174.850 176.000 -0.203 0.000 1.098 386 Q CA -1.085 54.585 55.803 -0.221 0.000 0.827 386 Q CB 1.367 30.025 28.738 -0.134 0.000 1.386 386 Q HN 0.203 nan 8.270 nan 0.000 0.443 387 D N 1.794 122.184 120.400 -0.016 0.000 2.341 387 D HA 0.128 -0.157 4.640 -8.210 0.000 0.245 387 D C -0.737 175.553 176.300 -0.016 0.000 1.106 387 D CA 0.301 54.324 54.000 0.037 0.000 0.905 387 D CB 0.859 41.697 40.800 0.064 0.000 1.202 387 D HN 0.263 nan 8.370 nan 0.000 0.426 388 Q N 0.727 120.519 119.800 -0.013 0.000 2.281 388 Q HA 0.329 -0.257 4.340 -8.210 0.000 0.263 388 Q C -1.704 174.268 176.000 -0.046 0.000 0.989 388 Q CA -0.699 55.083 55.803 -0.035 0.000 0.852 388 Q CB 1.824 30.538 28.738 -0.041 0.000 1.337 388 Q HN 0.185 nan 8.270 nan 0.000 0.418 389 V N 3.861 123.735 119.914 -0.066 0.000 2.470 389 V HA 0.123 -0.682 4.120 -8.210 0.000 0.276 389 V C 0.129 176.159 176.094 -0.106 0.000 1.040 389 V CA -0.298 61.939 62.300 -0.105 0.000 1.008 389 V CB 1.078 32.829 31.823 -0.121 0.000 0.990 389 V HN 0.569 nan 8.190 nan 0.000 0.477 390 V N 8.832 128.671 119.914 -0.125 0.000 2.446 390 V HA 0.141 -0.664 4.120 -8.210 0.000 0.276 390 V C -1.979 174.029 176.094 -0.143 0.000 1.030 390 V CA -1.318 60.914 62.300 -0.112 0.000 1.033 390 V CB 0.614 32.373 31.823 -0.105 0.000 0.993 390 V HN 0.773 nan 8.190 nan 0.000 0.477 391 P HA 0.236 nan 4.420 nan 0.000 0.267 391 P C 0.894 178.151 177.300 -0.071 0.000 1.205 391 P CA 0.921 63.972 63.100 -0.082 0.000 0.765 391 P CB 0.721 32.394 31.700 -0.044 0.000 0.828 392 G N 1.899 110.665 108.800 -0.055 0.000 2.179 392 G HA2 -0.234 -1.200 3.960 -8.210 0.000 0.257 392 G HA3 -0.234 -1.200 3.960 -8.210 0.000 0.257 392 G C -0.407 174.500 174.900 0.012 0.000 1.010 392 G CA -0.148 44.965 45.100 0.021 0.000 0.736 392 G HN 0.548 nan 8.290 nan 0.000 0.513 393 L N 0.120 121.266 121.223 -0.128 0.000 2.404 393 L HA 0.833 0.247 4.340 -8.210 0.000 0.272 393 L C -0.856 175.843 176.870 -0.286 0.000 0.980 393 L CA -1.619 53.153 54.840 -0.115 0.000 0.836 393 L CB 1.166 43.157 42.059 -0.113 0.000 1.238 393 L HN 0.119 nan 8.230 nan 0.000 0.408 394 Y N 3.039 123.287 120.300 -0.087 0.000 2.570 394 Y HA 0.891 0.515 4.550 -8.209 0.000 0.345 394 Y C 0.019 175.868 175.900 -0.085 0.000 1.014 394 Y CA -0.635 57.410 58.100 -0.092 0.000 1.063 394 Y CB 2.392 40.791 38.460 -0.102 0.000 1.272 394 Y HN 0.675 nan 8.280 nan 0.000 0.477 395 A N 0.945 123.808 122.820 0.072 0.000 2.520 395 A HA 0.850 0.244 4.320 -8.210 0.000 0.298 395 A C -1.189 176.401 177.584 0.010 0.000 1.051 395 A CA -0.651 51.395 52.037 0.014 0.000 0.690 395 A CB 0.483 19.463 19.000 -0.033 0.000 1.281 395 A HN 1.057 nan 8.150 nan 0.000 0.402 396 C N -0.259 119.049 119.300 0.014 0.000 3.171 396 C HA 1.041 0.576 4.460 -8.210 0.000 0.308 396 C C 0.893 175.912 174.990 0.048 0.000 1.334 396 C CA 0.011 59.050 59.018 0.036 0.000 1.473 396 C CB 0.924 28.725 27.740 0.102 0.000 1.866 396 C HN 2.987 nan 8.230 nan 0.000 0.465 397 G N 0.662 109.518 108.800 0.093 0.000 2.488 397 G HA2 -0.207 -1.173 3.960 -8.210 0.000 0.237 397 G HA3 -0.207 -1.173 3.960 -8.210 0.000 0.237 397 G C 0.476 175.448 174.900 0.119 0.000 1.209 397 G CA 0.774 45.951 45.100 0.129 0.000 0.929 397 G HN 1.213 nan 8.290 nan 0.000 0.578 398 E N 0.283 120.538 120.200 0.092 0.000 2.216 398 E HA 0.190 -0.386 4.350 -8.210 0.000 0.192 398 E C 2.809 179.360 176.600 -0.082 0.000 0.988 398 E CA 1.470 57.853 56.400 -0.028 0.000 0.834 398 E CB -0.334 29.308 29.700 -0.098 0.000 0.772 398 E HN 0.887 nan 8.360 nan 0.000 0.479 399 A N 1.130 123.933 122.820 -0.027 0.000 1.969 399 A HA 0.097 -0.509 4.320 -8.210 0.000 0.218 399 A C 1.386 178.955 177.584 -0.023 0.000 1.169 399 A CA 1.111 53.138 52.037 -0.018 0.000 0.635 399 A CB -0.367 18.623 19.000 -0.016 0.000 0.810 399 A HN 0.342 nan 8.150 nan 0.000 0.445 400 A N -1.938 120.865 122.820 -0.029 0.000 2.240 400 A HA 0.498 -0.108 4.320 -8.210 0.000 0.292 400 A C 0.055 177.604 177.584 -0.059 0.000 1.121 400 A CA 0.255 52.257 52.037 -0.057 0.000 0.851 400 A CB 0.340 19.288 19.000 -0.086 0.000 1.167 400 A HN 0.985 nan 8.150 nan 0.000 0.503 401 C N -0.100 119.139 119.300 -0.101 0.000 3.384 401 C HA 0.577 0.111 4.460 -8.210 0.000 0.294 401 C C 1.048 175.930 174.990 -0.180 0.000 1.062 401 C CA -0.068 58.887 59.018 -0.105 0.000 1.325 401 C CB -0.537 27.157 27.740 -0.078 0.000 1.793 401 C HN 1.104 nan 8.230 nan 0.000 0.563 402 A N 2.162 124.835 122.820 -0.246 0.000 2.235 402 A HA 0.284 -0.322 4.320 -8.210 0.000 0.208 402 A C 1.349 178.827 177.584 -0.178 0.000 1.172 402 A CA 1.156 53.040 52.037 -0.254 0.000 0.786 402 A CB -0.317 18.421 19.000 -0.438 0.000 0.804 402 A HN 1.776 nan 8.150 nan 0.000 0.479 403 S N -1.407 114.202 115.700 -0.153 0.000 3.405 403 S HA -0.135 -0.591 4.470 -8.210 0.000 0.373 403 S C 0.961 175.513 174.600 -0.080 0.000 0.939 403 S CA 0.407 58.567 58.200 -0.067 0.000 1.295 403 S CB -1.366 61.830 63.200 -0.007 0.000 0.919 403 S HN 0.555 nan 8.310 nan 0.000 0.535 404 V N 2.147 121.933 119.914 -0.213 0.000 2.809 404 V HA -0.072 -0.878 4.120 -8.210 0.000 0.256 404 V C 1.876 177.746 176.094 -0.374 0.000 1.080 404 V CA 1.751 63.873 62.300 -0.296 0.000 1.102 404 V CB -0.284 31.306 31.823 -0.387 0.000 0.705 404 V HN 0.817 nan 8.190 nan 0.000 0.475 405 H N -1.166 117.912 119.070 0.013 0.000 2.639 405 H HA 0.328 -0.043 4.556 -8.212 0.000 0.267 405 H C 1.723 177.023 175.328 -0.046 0.000 0.958 405 H CA 0.794 56.841 56.048 -0.002 0.000 1.221 405 H CB 0.338 30.146 29.762 0.077 0.000 1.446 405 H HN 0.427 nan 8.280 nan 0.000 0.512 406 G N 1.418 110.238 108.800 0.033 0.000 2.596 406 G HA2 -0.414 -1.380 3.960 -8.210 0.000 0.304 406 G HA3 -0.414 -1.380 3.960 -8.210 0.000 0.304 406 G C 1.293 176.035 174.900 -0.264 0.000 1.189 406 G CA 1.434 46.481 45.100 -0.087 0.000 0.986 406 G HN 0.590 nan 8.290 nan 0.000 0.548 407 A N 0.320 122.940 122.820 -0.333 0.000 2.238 407 A HA 0.466 -0.140 4.320 -8.210 0.000 0.210 407 A C 0.936 178.515 177.584 -0.009 0.000 1.179 407 A CA 1.598 53.367 52.037 -0.446 0.000 0.827 407 A CB -0.150 18.684 19.000 -0.276 0.000 0.856 407 A HN 1.314 nan 8.150 nan 0.000 0.488 408 N N -0.161 118.547 118.700 0.013 0.000 2.648 408 N HA 0.080 -0.105 4.740 -8.210 0.000 0.272 408 N C -1.302 174.244 175.510 0.059 0.000 1.118 408 N CA -0.447 52.645 53.050 0.069 0.000 0.973 408 N CB 1.127 39.647 38.487 0.054 0.000 1.565 408 N HN 0.295 nan 8.380 nan 0.000 0.542 409 R N 3.538 124.080 120.500 0.071 0.000 2.347 409 R HA 0.194 -0.391 4.340 -8.210 0.000 0.304 409 R C -0.412 175.875 176.300 -0.022 0.000 1.072 409 R CA -0.361 55.734 56.100 -0.008 0.000 0.980 409 R CB 0.550 30.643 30.300 -0.346 0.000 0.986 409 R HN 0.450 nan 8.270 nan 0.000 0.448 410 L N 3.987 125.226 121.223 0.026 0.000 2.426 410 L HA 0.252 -0.333 4.340 -8.210 0.000 0.271 410 L C 0.565 177.467 176.870 0.054 0.000 1.169 410 L CA 0.719 55.582 54.840 0.038 0.000 0.836 410 L CB 1.112 43.210 42.059 0.065 0.000 1.112 410 L HN 0.822 nan 8.230 nan 0.000 0.465 411 G N 3.677 112.563 108.800 0.142 0.000 2.414 411 G HA2 0.373 -0.592 3.960 -8.210 0.000 0.236 411 G HA3 0.373 -0.592 3.960 -8.210 0.000 0.236 411 G C 0.654 175.586 174.900 0.053 0.000 1.293 411 G CA 0.143 45.423 45.100 0.301 0.000 0.869 411 G HN 1.705 nan 8.290 nan 0.000 0.556 412 A N 1.443 124.195 122.820 -0.113 0.000 2.860 412 A HA -0.190 -0.795 4.320 -8.210 0.000 0.267 412 A C 1.514 179.041 177.584 -0.096 0.000 1.421 412 A CA 1.414 53.277 52.037 -0.291 0.000 0.831 412 A CB -1.773 16.769 19.000 -0.763 0.000 1.041 412 A HN 0.666 nan 8.150 nan 0.000 0.623 413 N N -1.233 117.457 118.700 -0.016 0.000 2.348 413 N HA 0.135 -0.051 4.740 -8.210 0.000 0.183 413 N C 1.666 177.264 175.510 0.146 0.000 1.094 413 N CA 1.060 54.177 53.050 0.112 0.000 0.885 413 N CB 0.214 38.823 38.487 0.203 0.000 1.065 413 N HN 0.530 nan 8.380 nan 0.000 0.472 414 S N 0.274 115.944 115.700 -0.051 0.000 2.371 414 S HA 0.146 -0.310 4.470 -8.210 0.000 0.224 414 S C 1.786 176.443 174.600 0.095 0.000 1.029 414 S CA 0.515 58.697 58.200 -0.029 0.000 0.978 414 S CB -0.150 62.865 63.200 -0.307 0.000 0.833 414 S HN 0.203 nan 8.310 nan 0.000 0.466 415 L N 0.988 122.244 121.223 0.055 0.000 2.127 415 L HA -0.124 -0.710 4.340 -8.210 0.000 0.211 415 L C 2.431 179.366 176.870 0.109 0.000 1.089 415 L CA 0.932 55.820 54.840 0.080 0.000 0.757 415 L CB -0.519 41.572 42.059 0.053 0.000 0.899 415 L HN 0.376 nan 8.230 nan 0.000 0.434 416 L N 0.504 121.796 121.223 0.114 0.000 2.005 416 L HA -0.243 -0.829 4.340 -8.210 0.000 0.207 416 L C 2.166 179.145 176.870 0.181 0.000 1.072 416 L CA 2.233 57.151 54.840 0.131 0.000 0.744 416 L CB -0.671 41.474 42.059 0.143 0.000 0.895 416 L HN 0.243 nan 8.230 nan 0.000 0.433 417 D N -0.742 119.820 120.400 0.271 0.000 2.149 417 D HA -0.262 -0.548 4.640 -8.210 0.000 0.194 417 D C 2.056 178.586 176.300 0.384 0.000 1.001 417 D CA 1.795 56.049 54.000 0.424 0.000 0.849 417 D CB -0.148 40.952 40.800 0.500 0.000 0.939 417 D HN 0.256 nan 8.370 nan 0.000 0.449 418 L N -0.053 121.322 121.223 0.254 0.000 1.971 418 L HA -0.157 -0.742 4.340 -8.210 0.000 0.215 418 L C 2.769 179.737 176.870 0.163 0.000 1.072 418 L CA 1.241 56.198 54.840 0.195 0.000 0.758 418 L CB -1.065 41.082 42.059 0.147 0.000 0.889 418 L HN 0.082 nan 8.230 nan 0.000 0.433 419 V N -1.519 118.474 119.914 0.132 0.000 2.358 419 V HA -0.216 -1.022 4.120 -8.210 0.000 0.246 419 V C 2.407 178.526 176.094 0.042 0.000 1.047 419 V CA 1.226 63.581 62.300 0.091 0.000 1.035 419 V CB -0.278 31.604 31.823 0.098 0.000 0.658 419 V HN 0.235 nan 8.190 nan 0.000 0.452 420 V N -0.627 119.296 119.914 0.015 0.000 2.255 420 V HA -0.258 -1.063 4.120 -8.210 0.000 0.247 420 V C 2.119 178.130 176.094 -0.137 0.000 1.051 420 V CA 2.359 64.578 62.300 -0.134 0.000 1.018 420 V CB -0.676 30.979 31.823 -0.281 0.000 0.641 420 V HN 0.489 nan 8.190 nan 0.000 0.445 421 F N 0.501 120.521 119.950 0.117 0.000 2.569 421 F HA 0.188 -0.209 4.527 -8.207 0.000 0.295 421 F C 2.308 178.123 175.800 0.023 0.000 1.115 421 F CA 0.802 58.860 58.000 0.096 0.000 1.450 421 F CB -0.722 38.334 39.000 0.093 0.000 1.107 421 F HN 0.181 nan 8.300 nan 0.000 0.563 422 G N 0.348 109.238 108.800 0.150 0.000 2.459 422 G HA2 -0.296 -1.262 3.960 -8.210 0.000 0.217 422 G HA3 -0.296 -1.262 3.960 -8.210 0.000 0.217 422 G C 1.752 176.614 174.900 -0.065 0.000 1.183 422 G CA 0.799 45.909 45.100 0.017 0.000 0.776 422 G HN 0.231 nan 8.290 nan 0.000 0.552 423 R N 0.690 121.152 120.500 -0.063 0.000 2.105 423 R HA -0.052 -0.637 4.340 -8.210 0.000 0.239 423 R C 2.811 179.075 176.300 -0.059 0.000 1.135 423 R CA 1.611 57.657 56.100 -0.090 0.000 0.967 423 R CB -0.428 29.834 30.300 -0.063 0.000 0.861 423 R HN 0.303 nan 8.270 nan 0.000 0.442 424 A N 0.580 123.403 122.820 0.005 0.000 1.858 424 A HA -0.198 -0.804 4.320 -8.210 0.000 0.216 424 A C 2.538 180.083 177.584 -0.064 0.000 1.190 424 A CA 1.632 53.679 52.037 0.016 0.000 0.617 424 A CB -1.089 17.958 19.000 0.079 0.000 0.827 424 A HN 0.602 nan 8.150 nan 0.000 0.443 425 C N -1.006 118.254 119.300 -0.067 0.000 2.401 425 C HA -0.031 -0.497 4.460 -8.210 0.000 0.276 425 C C 3.333 178.067 174.990 -0.428 0.000 1.233 425 C CA 0.925 59.795 59.018 -0.246 0.000 1.753 425 C CB -1.464 26.167 27.740 -0.181 0.000 2.029 425 C HN 0.701 nan 8.230 nan 0.000 0.478 426 A N 0.146 122.781 122.820 -0.308 0.000 1.858 426 A HA -0.128 -0.734 4.320 -8.210 0.000 0.216 426 A C 2.104 179.524 177.584 -0.273 0.000 1.190 426 A CA 1.596 53.438 52.037 -0.325 0.000 0.617 426 A CB -0.663 18.175 19.000 -0.270 0.000 0.827 426 A HN 0.611 nan 8.150 nan 0.000 0.443 427 L N -0.882 120.235 121.223 -0.175 0.000 2.217 427 L HA -0.092 -0.678 4.340 -8.210 0.000 0.211 427 L C 2.790 179.591 176.870 -0.115 0.000 1.107 427 L CA 1.213 55.991 54.840 -0.105 0.000 0.783 427 L CB -0.258 41.774 42.059 -0.045 0.000 0.919 427 L HN 0.444 nan 8.230 nan 0.000 0.442 428 S N -0.185 115.415 115.700 -0.167 0.000 2.428 428 S HA -0.027 -0.483 4.470 -8.210 0.000 0.230 428 S C 1.867 176.371 174.600 -0.161 0.000 1.014 428 S CA 0.797 58.921 58.200 -0.127 0.000 0.957 428 S CB -0.020 63.148 63.200 -0.053 0.000 0.784 428 S HN 0.265 nan 8.310 nan 0.000 0.499 429 I N 1.158 121.504 120.570 -0.373 0.000 2.296 429 I HA 0.003 -0.753 4.170 -8.210 0.000 0.242 429 I C 2.618 178.605 176.117 -0.217 0.000 1.087 429 I CA 0.941 62.008 61.300 -0.389 0.000 1.393 429 I CB -0.469 37.116 38.000 -0.692 0.000 1.093 429 I HN 0.263 nan 8.210 nan 0.000 0.421 430 A N 0.073 122.777 122.820 -0.194 0.000 2.186 430 A HA -0.188 -0.794 4.320 -8.210 0.000 0.219 430 A C 1.766 179.425 177.584 0.125 0.000 1.159 430 A CA 1.665 53.779 52.037 0.128 0.000 0.680 430 A CB -0.523 18.561 19.000 0.140 0.000 0.787 430 A HN 0.515 nan 8.150 nan 0.000 0.467 431 E N -1.341 118.882 120.200 0.039 0.000 2.660 431 E HA 0.065 -0.511 4.350 -8.210 0.000 0.216 431 E C 1.303 177.925 176.600 0.037 0.000 0.986 431 E CA 0.470 56.894 56.400 0.040 0.000 1.037 431 E CB 0.578 30.290 29.700 0.019 0.000 1.041 431 E HN 0.663 nan 8.360 nan 0.000 0.480 432 S N -1.151 114.575 115.700 0.044 0.000 2.613 432 S HA 0.111 -0.345 4.470 -8.210 0.000 0.235 432 S C 0.835 175.477 174.600 0.069 0.000 1.073 432 S CA 0.003 58.233 58.200 0.049 0.000 0.899 432 S CB 0.176 63.409 63.200 0.055 0.000 0.818 432 S HN 0.317 nan 8.310 nan 0.000 0.484 433 C N 0.959 120.325 119.300 0.109 0.000 3.318 433 C HA 0.876 0.411 4.460 -8.210 0.000 0.329 433 C C -1.040 174.090 174.990 0.233 0.000 1.449 433 C CA -1.060 58.044 59.018 0.144 0.000 1.397 433 C CB 1.271 29.096 27.740 0.142 0.000 1.810 433 C HN 0.400 nan 8.230 nan 0.000 0.449 434 R N 1.031 121.626 120.500 0.158 0.000 2.778 434 R HA 0.682 0.096 4.340 -8.210 0.000 0.277 434 R C -2.860 173.392 176.300 -0.079 0.000 0.977 434 R CA -1.726 54.388 56.100 0.023 0.000 0.950 434 R CB 1.551 31.831 30.300 -0.033 0.000 1.165 434 R HN 0.653 nan 8.270 nan 0.000 0.474 435 P HA 0.071 nan 4.420 nan 0.000 0.275 435 P C 0.472 177.669 177.300 -0.171 0.000 1.227 435 P CA 0.337 63.163 63.100 -0.458 0.000 0.781 435 P CB 0.680 31.874 31.700 -0.844 0.000 0.906 436 G N 1.339 110.103 108.800 -0.059 0.000 2.157 436 G HA2 -0.170 -1.135 3.960 -8.210 0.000 0.239 436 G HA3 -0.170 -1.135 3.960 -8.210 0.000 0.239 436 G C -0.093 174.805 174.900 -0.004 0.000 0.982 436 G CA -0.216 44.866 45.100 -0.031 0.000 0.650 436 G HN 0.505 nan 8.290 nan 0.000 0.527 437 D N 0.265 120.679 120.400 0.022 0.000 2.360 437 D HA 0.338 0.052 4.640 -8.210 0.000 0.242 437 D C 0.851 177.174 176.300 0.039 0.000 1.184 437 D CA -0.182 53.840 54.000 0.036 0.000 0.930 437 D CB 0.518 41.356 40.800 0.063 0.000 1.161 437 D HN 0.284 nan 8.370 nan 0.000 0.447 438 K N 0.941 121.360 120.400 0.032 0.000 2.430 438 K HA 0.037 -0.568 4.320 -8.210 0.000 0.280 438 K C -0.981 175.642 176.600 0.038 0.000 1.063 438 K CA -0.163 56.141 56.287 0.028 0.000 1.071 438 K CB 0.083 32.596 32.500 0.021 0.000 0.899 438 K HN 0.118 nan 8.250 nan 0.000 0.473 439 V N 8.112 128.049 119.914 0.038 0.000 2.387 439 V HA 0.117 -0.689 4.120 -8.210 0.000 0.260 439 V C -1.988 174.127 176.094 0.035 0.000 1.054 439 V CA -1.690 60.638 62.300 0.046 0.000 0.967 439 V CB 0.400 32.253 31.823 0.049 0.000 1.036 439 V HN 0.786 nan 8.190 nan 0.000 0.481 440 P HA 0.105 nan 4.420 nan 0.000 0.263 440 P C 0.196 177.509 177.300 0.023 0.000 1.195 440 P CA 0.153 63.268 63.100 0.025 0.000 0.762 440 P CB 0.312 32.026 31.700 0.023 0.000 0.799 441 S N 3.260 118.971 115.700 0.017 0.000 2.585 441 S HA 0.393 -0.063 4.470 -8.210 0.000 0.273 441 S C 0.017 174.625 174.600 0.013 0.000 1.339 441 S CA -0.446 57.763 58.200 0.015 0.000 1.028 441 S CB 0.381 63.587 63.200 0.010 0.000 0.906 441 S HN 0.367 nan 8.310 nan 0.000 0.528 442 I N 0.655 121.233 120.570 0.014 0.000 2.740 442 I HA 0.436 -0.319 4.170 -8.210 0.000 0.303 442 I C -0.357 175.765 176.117 0.009 0.000 1.044 442 I CA -1.036 60.271 61.300 0.012 0.000 1.064 442 I CB 1.924 39.933 38.000 0.016 0.000 1.249 442 I HN 0.755 nan 8.210 nan 0.000 0.433 443 K N 6.303 126.706 120.400 0.006 0.000 2.440 443 K HA 0.119 -0.486 4.320 -8.210 0.000 0.270 443 K C -1.825 174.778 176.600 0.005 0.000 0.980 443 K CA -0.794 55.495 56.287 0.004 0.000 0.953 443 K CB -0.080 32.421 32.500 0.002 0.000 0.925 443 K HN 0.390 nan 8.250 nan 0.000 0.497 444 P HA -0.095 nan 4.420 nan 0.000 0.222 444 P C 0.039 177.341 177.300 0.004 0.000 1.147 444 P CA 1.264 64.367 63.100 0.004 0.000 0.790 444 P CB 0.185 31.887 31.700 0.003 0.000 0.780 445 N N -0.487 118.215 118.700 0.003 0.000 2.416 445 N HA 0.085 -0.101 4.740 -8.210 0.000 0.177 445 N C 0.593 176.103 175.510 0.001 0.000 1.036 445 N CA -0.197 52.854 53.050 0.002 0.000 0.901 445 N CB -0.232 38.255 38.487 0.000 0.000 0.976 445 N HN 0.024 nan 8.380 nan 0.000 0.444 446 A N 0.926 123.748 122.820 0.002 0.000 2.598 446 A HA 0.283 -0.323 4.320 -8.210 0.000 0.239 446 A C 1.411 178.995 177.584 0.000 0.000 1.032 446 A CA 0.919 52.958 52.037 0.002 0.000 0.760 446 A CB -0.610 18.393 19.000 0.005 0.000 0.946 446 A HN 0.479 nan 8.150 nan 0.000 0.512 447 G N 1.806 110.604 108.800 -0.003 0.000 2.176 447 G HA2 -0.279 -1.245 3.960 -8.210 0.000 0.252 447 G HA3 -0.279 -1.245 3.960 -8.210 0.000 0.252 447 G C 0.558 175.448 174.900 -0.016 0.000 1.024 447 G CA 0.906 46.002 45.100 -0.007 0.000 0.755 447 G HN 0.994 nan 8.290 nan 0.000 0.507 448 E N -0.401 119.791 120.200 -0.014 0.000 2.047 448 E HA -0.055 -0.631 4.350 -8.210 0.000 0.191 448 E C 2.072 178.655 176.600 -0.028 0.000 0.987 448 E CA 1.246 57.635 56.400 -0.018 0.000 0.799 448 E CB -0.010 29.684 29.700 -0.009 0.000 0.752 448 E HN 0.701 nan 8.360 nan 0.000 0.449 449 E N -0.457 119.729 120.200 -0.022 0.000 2.502 449 E HA 0.002 -0.574 4.350 -8.210 0.000 0.194 449 E C 1.560 178.141 176.600 -0.032 0.000 1.062 449 E CA 0.095 56.480 56.400 -0.024 0.000 0.867 449 E CB 0.416 30.107 29.700 -0.015 0.000 0.888 449 E HN 0.102 nan 8.360 nan 0.000 0.510 450 S N -0.201 115.478 115.700 -0.036 0.000 2.388 450 S HA -0.073 -0.529 4.470 -8.210 0.000 0.223 450 S C 2.102 176.652 174.600 -0.084 0.000 1.034 450 S CA 0.426 58.602 58.200 -0.039 0.000 0.963 450 S CB 0.114 63.301 63.200 -0.022 0.000 0.827 450 S HN 0.078 nan 8.310 nan 0.000 0.481 451 V N 2.090 121.936 119.914 -0.113 0.000 2.427 451 V HA -0.057 -0.863 4.120 -8.210 0.000 0.248 451 V C 2.267 178.230 176.094 -0.219 0.000 1.051 451 V CA 1.521 63.686 62.300 -0.225 0.000 1.048 451 V CB -0.547 31.152 31.823 -0.207 0.000 0.666 451 V HN 0.459 nan 8.190 nan 0.000 0.456 452 M N 0.178 119.714 119.600 -0.107 0.000 2.319 452 M HA -0.127 -0.573 4.480 -8.210 0.000 0.265 452 M C 2.167 178.441 176.300 -0.043 0.000 1.068 452 M CA 1.335 56.602 55.300 -0.054 0.000 1.118 452 M CB -0.356 32.230 32.600 -0.024 0.000 1.395 452 M HN 0.501 nan 8.290 nan 0.000 0.435 453 N N 0.626 119.292 118.700 -0.057 0.000 2.171 453 N HA -0.157 -0.342 4.740 -8.210 0.000 0.184 453 N C 1.793 177.266 175.510 -0.062 0.000 1.021 453 N CA 0.820 53.841 53.050 -0.048 0.000 0.854 453 N CB -0.078 38.384 38.487 -0.042 0.000 0.994 453 N HN 0.340 nan 8.380 nan 0.000 0.426 454 L N 1.807 122.966 121.223 -0.107 0.000 2.046 454 L HA -0.184 -0.769 4.340 -8.210 0.000 0.208 454 L C 1.852 178.679 176.870 -0.071 0.000 1.077 454 L CA 1.982 56.740 54.840 -0.136 0.000 0.747 454 L CB -1.337 40.579 42.059 -0.238 0.000 0.896 454 L HN 0.178 nan 8.230 nan 0.000 0.432 455 D N -0.277 120.104 120.400 -0.032 0.000 2.117 455 D HA -0.244 -0.530 4.640 -8.210 0.000 0.198 455 D C 2.145 178.591 176.300 0.243 0.000 0.982 455 D CA 1.264 55.391 54.000 0.212 0.000 0.828 455 D CB 0.164 41.119 40.800 0.258 0.000 0.967 455 D HN 0.057 nan 8.370 nan 0.000 0.464 456 K N 0.041 120.509 120.400 0.113 0.000 2.057 456 K HA 0.019 -0.586 4.320 -8.210 0.000 0.206 456 K C 2.100 178.736 176.600 0.059 0.000 1.050 456 K CA 1.013 57.354 56.287 0.091 0.000 0.935 456 K CB -0.466 32.048 32.500 0.025 0.000 0.715 456 K HN 0.226 nan 8.250 nan 0.000 0.439 457 L N 0.292 121.516 121.223 0.002 0.000 2.201 457 L HA -0.036 -0.622 4.340 -8.210 0.000 0.212 457 L C 2.664 179.493 176.870 -0.068 0.000 1.105 457 L CA 0.705 55.520 54.840 -0.041 0.000 0.775 457 L CB -0.369 41.648 42.059 -0.071 0.000 0.913 457 L HN 0.191 nan 8.230 nan 0.000 0.440 458 R N 0.569 121.016 120.500 -0.087 0.000 2.090 458 R HA -0.097 -0.683 4.340 -8.210 0.000 0.228 458 R C 1.324 177.388 176.300 -0.393 0.000 1.110 458 R CA 1.456 57.399 56.100 -0.262 0.000 0.973 458 R CB -0.059 30.044 30.300 -0.328 0.000 0.869 458 R HN 0.283 nan 8.270 nan 0.000 0.440 459 F N 0.385 120.329 119.950 -0.009 0.000 2.647 459 F HA 0.379 -0.020 4.527 -8.210 0.000 0.300 459 F C 0.631 176.398 175.800 -0.056 0.000 1.106 459 F CA -0.395 57.589 58.000 -0.027 0.000 1.313 459 F CB 0.388 39.380 39.000 -0.014 0.000 1.007 459 F HN -0.092 nan 8.300 nan 0.000 0.536 460 A N 1.591 124.438 122.820 0.045 0.000 2.618 460 A HA -0.083 -0.688 4.320 -8.210 0.000 0.293 460 A C 0.644 178.193 177.584 -0.058 0.000 1.413 460 A CA 0.127 52.160 52.037 -0.007 0.000 1.074 460 A CB -0.824 18.155 19.000 -0.036 0.000 1.087 460 A HN 0.511 nan 8.150 nan 0.000 0.553 461 N N 3.106 121.781 118.700 -0.041 0.000 3.188 461 N HA 0.239 0.054 4.740 -8.210 0.000 0.279 461 N C 0.657 176.123 175.510 -0.073 0.000 1.213 461 N CA 0.191 53.192 53.050 -0.083 0.000 1.138 461 N CB 0.178 38.636 38.487 -0.049 0.000 1.417 461 N HN 0.675 nan 8.380 nan 0.000 0.526 462 G N -0.276 108.477 108.800 -0.080 0.000 2.849 462 G HA2 0.177 -0.789 3.960 -8.210 0.000 0.174 462 G HA3 0.177 -0.789 3.960 -8.210 0.000 0.174 462 G C 0.718 175.609 174.900 -0.014 0.000 1.370 462 G CA 0.124 45.205 45.100 -0.032 0.000 1.040 462 G HN 0.374 nan 8.290 nan 0.000 0.582 463 T N -2.758 111.819 114.554 0.038 0.000 2.993 463 T HA 0.380 -0.196 4.350 -8.210 0.000 0.260 463 T C 0.487 175.213 174.700 0.044 0.000 0.939 463 T CA -0.069 62.056 62.100 0.042 0.000 0.886 463 T CB -0.015 68.890 68.868 0.061 0.000 1.209 463 T HN 0.217 nan 8.240 nan 0.000 0.518 464 I N 1.934 122.535 120.570 0.052 0.000 2.378 464 I HA 0.486 -0.270 4.170 -8.210 0.000 0.291 464 I C 0.178 176.330 176.117 0.057 0.000 0.992 464 I CA -1.104 60.225 61.300 0.047 0.000 1.154 464 I CB 1.931 39.952 38.000 0.035 0.000 1.315 464 I HN -0.040 nan 8.210 nan 0.000 0.448 465 R N 2.928 123.476 120.500 0.080 0.000 2.643 465 R HA 0.132 -0.454 4.340 -8.210 0.000 0.270 465 R C 1.012 177.357 176.300 0.075 0.000 1.061 465 R CA 0.106 56.272 56.100 0.110 0.000 1.107 465 R CB 0.875 31.256 30.300 0.135 0.000 0.999 465 R HN 0.691 nan 8.270 nan 0.000 0.460 466 T N 0.504 115.103 114.554 0.076 0.000 2.759 466 T HA -0.213 -0.788 4.350 -8.210 0.000 0.269 466 T C 1.787 176.518 174.700 0.052 0.000 1.042 466 T CA 1.908 64.037 62.100 0.050 0.000 1.140 466 T CB -0.129 68.764 68.868 0.042 0.000 0.864 466 T HN 0.764 nan 8.240 nan 0.000 0.455 467 S N 1.692 117.429 115.700 0.062 0.000 2.371 467 S HA -0.036 -0.492 4.470 -8.210 0.000 0.224 467 S C 1.914 176.549 174.600 0.059 0.000 1.029 467 S CA 0.656 58.893 58.200 0.061 0.000 0.978 467 S CB -0.347 62.888 63.200 0.057 0.000 0.833 467 S HN 0.545 nan 8.310 nan 0.000 0.466 468 E N 0.759 120.991 120.200 0.052 0.000 2.106 468 E HA -0.053 -0.629 4.350 -8.210 0.000 0.192 468 E C 1.981 178.600 176.600 0.032 0.000 0.984 468 E CA 1.048 57.473 56.400 0.040 0.000 0.806 468 E CB -0.261 29.462 29.700 0.038 0.000 0.750 468 E HN 0.410 nan 8.360 nan 0.000 0.458 469 L N 1.152 122.396 121.223 0.034 0.000 2.156 469 L HA -0.067 -0.653 4.340 -8.210 0.000 0.208 469 L C 2.228 179.118 176.870 0.034 0.000 1.095 469 L CA 1.476 56.332 54.840 0.027 0.000 0.770 469 L CB -0.249 41.823 42.059 0.022 0.000 0.914 469 L HN -0.094 nan 8.230 nan 0.000 0.439 470 R N -0.798 119.730 120.500 0.047 0.000 2.075 470 R HA -0.150 -0.735 4.340 -8.210 0.000 0.232 470 R C 2.264 178.610 176.300 0.077 0.000 1.126 470 R CA 1.745 57.883 56.100 0.063 0.000 0.963 470 R CB -0.385 29.961 30.300 0.077 0.000 0.858 470 R HN 0.417 nan 8.270 nan 0.000 0.435 471 L N 0.630 121.897 121.223 0.073 0.000 2.056 471 L HA -0.090 -0.676 4.340 -8.210 0.000 0.207 471 L C 2.062 178.943 176.870 0.018 0.000 1.078 471 L CA 1.742 56.622 54.840 0.066 0.000 0.749 471 L CB -0.305 41.780 42.059 0.044 0.000 0.901 471 L HN 0.040 nan 8.230 nan 0.000 0.433 472 S N -0.568 115.139 115.700 0.012 0.000 2.383 472 S HA -0.242 -0.698 4.470 -8.210 0.000 0.229 472 S C 1.911 176.518 174.600 0.012 0.000 1.030 472 S CA 1.893 60.094 58.200 0.002 0.000 1.002 472 S CB -0.423 62.780 63.200 0.004 0.000 0.829 472 S HN 0.561 nan 8.310 nan 0.000 0.467 473 M N 0.915 120.530 119.600 0.024 0.000 2.236 473 M HA -0.092 -0.538 4.480 -8.210 0.000 0.266 473 M C 2.050 178.361 176.300 0.018 0.000 1.070 473 M CA 1.337 56.649 55.300 0.020 0.000 1.137 473 M CB -0.166 32.451 32.600 0.028 0.000 1.378 473 M HN 0.261 nan 8.290 nan 0.000 0.426 474 Q N -0.054 119.781 119.800 0.059 0.000 2.083 474 Q HA -0.123 -0.709 4.340 -8.210 0.000 0.198 474 Q C 1.950 178.033 176.000 0.138 0.000 0.969 474 Q CA 1.102 56.977 55.803 0.120 0.000 0.838 474 Q CB 0.105 28.988 28.738 0.241 0.000 0.900 474 Q HN 0.304 nan 8.270 nan 0.000 0.436 475 K N 0.038 120.467 120.400 0.049 0.000 2.155 475 K HA 0.021 -0.585 4.320 -8.210 0.000 0.203 475 K C 2.110 178.763 176.600 0.088 0.000 1.052 475 K CA 0.778 57.068 56.287 0.004 0.000 0.948 475 K CB -0.076 32.342 32.500 -0.137 0.000 0.728 475 K HN 0.030 nan 8.250 nan 0.000 0.448 476 S N 0.889 116.640 115.700 0.085 0.000 2.383 476 S HA -0.027 -0.483 4.470 -8.210 0.000 0.227 476 S C 1.881 176.593 174.600 0.186 0.000 1.026 476 S CA 0.936 59.226 58.200 0.149 0.000 0.981 476 S CB -0.010 63.207 63.200 0.029 0.000 0.818 476 S HN 0.194 nan 8.310 nan 0.000 0.472 477 M N 0.876 120.502 119.600 0.043 0.000 2.254 477 M HA 0.026 -0.420 4.480 -8.210 0.000 0.265 477 M C 2.234 178.643 176.300 0.182 0.000 1.066 477 M CA 1.165 56.427 55.300 -0.064 0.000 1.123 477 M CB -1.222 31.044 32.600 -0.556 0.000 1.388 477 M HN 0.238 nan 8.290 nan 0.000 0.425 478 Q N 0.791 120.757 119.800 0.276 0.000 2.167 478 Q HA -0.081 -0.666 4.340 -8.210 0.000 0.202 478 Q C 1.874 178.044 176.000 0.284 0.000 0.970 478 Q CA 2.197 58.256 55.803 0.428 0.000 0.855 478 Q CB -0.082 28.889 28.738 0.389 0.000 0.911 478 Q HN 0.563 nan 8.270 nan 0.000 0.438 479 S N -2.478 113.325 115.700 0.173 0.000 2.502 479 S HA 0.096 -0.360 4.470 -8.210 0.000 0.215 479 S C 0.967 175.473 174.600 -0.157 0.000 1.009 479 S CA 0.248 58.445 58.200 -0.005 0.000 0.908 479 S CB -0.095 63.045 63.200 -0.099 0.000 0.801 479 S HN 0.475 nan 8.310 nan 0.000 0.505 480 H N 1.070 120.204 119.070 0.106 0.000 2.855 480 H HA 0.602 0.231 4.556 -8.212 0.000 0.259 480 H C 0.885 176.281 175.328 0.113 0.000 0.972 480 H CA 0.551 56.648 56.048 0.081 0.000 1.213 480 H CB 0.627 30.415 29.762 0.042 0.000 1.451 480 H HN 0.486 nan 8.280 nan 0.000 0.484 481 A N 0.723 123.717 122.820 0.291 0.000 3.214 481 A HA 0.744 0.138 4.320 -8.210 0.000 0.304 481 A C 0.339 178.193 177.584 0.450 0.000 0.969 481 A CA 0.005 52.236 52.037 0.324 0.000 0.986 481 A CB -0.490 18.701 19.000 0.318 0.000 1.073 481 A HN 0.348 nan 8.150 nan 0.000 0.487 482 A N -0.178 122.804 122.820 0.270 0.000 3.033 482 A HA 0.664 0.058 4.320 -8.210 0.000 0.223 482 A C 1.460 178.902 177.584 -0.236 0.000 1.797 482 A CA 0.430 52.544 52.037 0.128 0.000 0.856 482 A CB -0.517 18.494 19.000 0.020 0.000 1.798 482 A HN 0.626 nan 8.150 nan 0.000 0.629 483 V N -1.118 118.334 119.914 -0.770 0.000 2.233 483 V HA -0.134 -0.939 4.120 -8.210 0.000 0.247 483 V C 0.652 176.399 176.094 -0.578 0.000 1.050 483 V CA 1.503 63.290 62.300 -0.855 0.000 1.010 483 V CB -0.968 30.340 31.823 -0.858 0.000 0.637 483 V HN 0.482 nan 8.190 nan 0.000 0.444 484 F N 0.869 120.699 119.950 -0.200 0.000 2.422 484 F HA 0.660 0.259 4.527 -8.214 0.000 0.333 484 F C 0.516 176.263 175.800 -0.087 0.000 1.095 484 F CA -0.809 57.115 58.000 -0.127 0.000 1.038 484 F CB 1.034 39.971 39.000 -0.106 0.000 1.156 484 F HN 0.112 nan 8.300 nan 0.000 0.483 485 R N 1.565 122.129 120.500 0.106 0.000 2.535 485 R HA 0.716 0.130 4.340 -8.210 0.000 0.274 485 R C -1.722 174.610 176.300 0.053 0.000 1.090 485 R CA -0.967 55.175 56.100 0.069 0.000 0.930 485 R CB 1.103 31.443 30.300 0.067 0.000 1.223 485 R HN 0.522 nan 8.270 nan 0.000 0.441 486 V N -0.457 119.492 119.914 0.057 0.000 3.096 486 V HA 0.674 -0.132 4.120 -8.210 0.000 0.319 486 V C 1.287 177.422 176.094 0.069 0.000 1.082 486 V CA 0.264 62.597 62.300 0.055 0.000 1.022 486 V CB 1.444 33.283 31.823 0.028 0.000 1.103 486 V HN 0.824 nan 8.190 nan 0.000 0.455 487 G N 1.366 110.218 108.800 0.087 0.000 2.514 487 G HA2 -0.269 -1.235 3.960 -8.210 0.000 0.217 487 G HA3 -0.269 -1.235 3.960 -8.210 0.000 0.217 487 G C 1.617 176.550 174.900 0.055 0.000 1.198 487 G CA 1.753 46.905 45.100 0.088 0.000 0.780 487 G HN 1.356 nan 8.290 nan 0.000 0.565 488 S N 0.151 115.880 115.700 0.048 0.000 2.383 488 S HA -0.111 -0.567 4.470 -8.210 0.000 0.229 488 S C 2.279 176.913 174.600 0.057 0.000 1.030 488 S CA 1.538 59.762 58.200 0.040 0.000 1.002 488 S CB -0.559 62.659 63.200 0.031 0.000 0.829 488 S HN 0.123 nan 8.310 nan 0.000 0.467 489 V N 1.897 121.855 119.914 0.073 0.000 2.379 489 V HA -0.029 -0.835 4.120 -8.210 0.000 0.245 489 V C 2.509 178.713 176.094 0.184 0.000 1.044 489 V CA 1.519 63.900 62.300 0.135 0.000 1.036 489 V CB -0.757 31.111 31.823 0.075 0.000 0.664 489 V HN 0.430 nan 8.190 nan 0.000 0.453 490 L N -0.582 120.701 121.223 0.101 0.000 2.131 490 L HA -0.182 -0.767 4.340 -8.210 0.000 0.210 490 L C 2.758 179.606 176.870 -0.037 0.000 1.092 490 L CA 1.256 56.128 54.840 0.054 0.000 0.759 490 L CB -0.500 41.581 42.059 0.038 0.000 0.903 490 L HN 0.346 nan 8.230 nan 0.000 0.435 491 Q N -0.192 119.589 119.800 -0.032 0.000 2.020 491 Q HA -0.276 -0.861 4.340 -8.210 0.000 0.202 491 Q C 2.100 178.039 176.000 -0.100 0.000 0.982 491 Q CA 1.678 57.432 55.803 -0.082 0.000 0.838 491 Q CB -0.184 28.535 28.738 -0.032 0.000 0.899 491 Q HN 0.542 nan 8.270 nan 0.000 0.423 492 E N -0.401 119.770 120.200 -0.048 0.000 2.110 492 E HA -0.148 -0.724 4.350 -8.210 0.000 0.193 492 E C 1.879 178.314 176.600 -0.274 0.000 0.988 492 E CA 1.017 57.362 56.400 -0.091 0.000 0.804 492 E CB -0.156 29.556 29.700 0.020 0.000 0.745 492 E HN 0.421 nan 8.360 nan 0.000 0.458 493 G N 0.184 108.772 108.800 -0.355 0.000 2.443 493 G HA2 -0.252 -1.218 3.960 -8.210 0.000 0.219 493 G HA3 -0.252 -1.218 3.960 -8.210 0.000 0.219 493 G C 1.627 176.383 174.900 -0.240 0.000 1.131 493 G CA 0.812 45.644 45.100 -0.447 0.000 0.775 493 G HN 0.344 nan 8.290 nan 0.000 0.547 494 C N 1.201 120.352 119.300 -0.249 0.000 2.508 494 C HA 0.002 -0.464 4.460 -8.210 0.000 0.280 494 C C 2.828 177.761 174.990 -0.096 0.000 1.262 494 C CA 1.123 59.940 59.018 -0.336 0.000 1.706 494 C CB -0.434 26.826 27.740 -0.801 0.000 2.078 494 C HN 0.716 nan 8.230 nan 0.000 0.480 495 E N 1.407 121.555 120.200 -0.085 0.000 2.418 495 E HA -0.196 -0.772 4.350 -8.210 0.000 0.197 495 E C 1.726 178.321 176.600 -0.008 0.000 1.026 495 E CA 0.824 57.226 56.400 0.003 0.000 0.862 495 E CB -0.383 29.316 29.700 -0.001 0.000 0.799 495 E HN 0.631 nan 8.360 nan 0.000 0.518 496 K N 0.437 120.797 120.400 -0.066 0.000 2.076 496 K HA -0.003 -0.609 4.320 -8.210 0.000 0.204 496 K C 2.084 178.670 176.600 -0.024 0.000 1.051 496 K CA 0.387 56.632 56.287 -0.071 0.000 0.949 496 K CB 0.109 32.506 32.500 -0.171 0.000 0.726 496 K HN 0.042 nan 8.250 nan 0.000 0.443 497 I N 1.592 122.156 120.570 -0.011 0.000 2.439 497 I HA -0.173 -0.929 4.170 -8.210 0.000 0.251 497 I C 2.009 178.191 176.117 0.108 0.000 1.139 497 I CA 0.766 62.093 61.300 0.046 0.000 1.438 497 I CB -0.343 37.687 38.000 0.051 0.000 1.085 497 I HN 0.235 nan 8.210 nan 0.000 0.427 498 L N 0.906 122.204 121.223 0.126 0.000 2.093 498 L HA -0.134 -0.720 4.340 -8.210 0.000 0.208 498 L C 2.669 179.617 176.870 0.129 0.000 1.085 498 L CA 1.624 56.542 54.840 0.131 0.000 0.755 498 L CB -0.721 41.427 42.059 0.149 0.000 0.904 498 L HN 0.089 nan 8.230 nan 0.000 0.435 499 R N -0.409 120.145 120.500 0.090 0.000 2.096 499 R HA -0.125 -0.711 4.340 -8.210 0.000 0.235 499 R C 2.143 178.493 176.300 0.083 0.000 1.127 499 R CA 1.708 57.852 56.100 0.073 0.000 0.968 499 R CB -0.367 29.954 30.300 0.036 0.000 0.861 499 R HN 0.455 nan 8.270 nan 0.000 0.440 500 L N -0.505 120.768 121.223 0.082 0.000 2.376 500 L HA -0.134 -0.720 4.340 -8.210 0.000 0.219 500 L C 2.042 178.972 176.870 0.100 0.000 1.133 500 L CA 0.664 55.547 54.840 0.072 0.000 0.816 500 L CB -0.364 41.727 42.059 0.054 0.000 0.933 500 L HN 0.215 nan 8.230 nan 0.000 0.449 501 Y N 0.568 120.880 120.300 0.020 0.000 2.337 501 Y HA -0.051 -0.425 4.550 -8.206 0.000 0.293 501 Y C 2.336 178.252 175.900 0.027 0.000 1.123 501 Y CA 1.248 59.357 58.100 0.015 0.000 1.201 501 Y CB -0.131 38.330 38.460 0.001 0.000 1.011 501 Y HN 0.065 nan 8.280 nan 0.000 0.545 502 G N -0.688 108.213 108.800 0.169 0.000 2.443 502 G HA2 -0.203 -1.169 3.960 -8.210 0.000 0.219 502 G HA3 -0.203 -1.169 3.960 -8.210 0.000 0.219 502 G C 1.168 176.144 174.900 0.127 0.000 1.131 502 G CA 1.003 46.176 45.100 0.121 0.000 0.775 502 G HN 0.311 nan 8.290 nan 0.000 0.547 503 D N 0.280 120.742 120.400 0.105 0.000 2.348 503 D HA 0.022 -0.263 4.640 -8.210 0.000 0.216 503 D C 2.425 178.773 176.300 0.079 0.000 0.970 503 D CA 0.101 54.179 54.000 0.129 0.000 0.889 503 D CB 0.071 40.893 40.800 0.037 0.000 0.912 503 D HN 0.284 nan 8.370 nan 0.000 0.524 504 L N 0.572 121.768 121.223 -0.045 0.000 2.362 504 L HA -0.132 -0.718 4.340 -8.210 0.000 0.219 504 L C 2.212 179.019 176.870 -0.105 0.000 1.134 504 L CA 0.711 55.476 54.840 -0.124 0.000 0.807 504 L CB -0.091 41.778 42.059 -0.316 0.000 0.927 504 L HN -0.061 nan 8.230 nan 0.000 0.447 505 Q N -0.970 118.777 119.800 -0.089 0.000 2.378 505 Q HA -0.086 -0.672 4.340 -8.210 0.000 0.205 505 Q C 1.553 177.422 176.000 -0.219 0.000 0.954 505 Q CA 0.984 56.690 55.803 -0.163 0.000 0.901 505 Q CB 0.040 28.654 28.738 -0.208 0.000 0.981 505 Q HN 0.655 nan 8.270 nan 0.000 0.483 506 H N 0.243 119.284 119.070 -0.048 0.000 2.575 506 H HA 0.090 -0.280 4.556 -8.210 0.000 0.267 506 H C 0.467 175.772 175.328 -0.038 0.000 0.966 506 H CA -0.226 55.801 56.048 -0.036 0.000 1.165 506 H CB 0.421 30.168 29.762 -0.024 0.000 1.433 506 H HN 0.111 nan 8.280 nan 0.000 0.544 507 L N 0.862 122.112 121.223 0.045 0.000 2.485 507 L HA 0.221 -0.364 4.340 -8.210 0.000 0.275 507 L C 0.236 177.097 176.870 -0.015 0.000 1.207 507 L CA -0.190 54.660 54.840 0.017 0.000 0.855 507 L CB 0.269 42.325 42.059 -0.005 0.000 1.114 507 L HN -0.208 nan 8.230 nan 0.000 0.485 508 K N 1.443 121.831 120.400 -0.020 0.000 2.206 508 K HA 0.612 0.006 4.320 -8.210 0.000 0.264 508 K C -0.585 175.961 176.600 -0.090 0.000 0.967 508 K CA -0.283 55.946 56.287 -0.098 0.000 0.844 508 K CB 1.595 34.014 32.500 -0.134 0.000 1.099 508 K HN 0.861 nan 8.250 nan 0.000 0.441 509 T N 3.756 118.217 114.554 -0.154 0.000 2.863 509 T HA 0.476 -0.099 4.350 -8.210 0.000 0.285 509 T C -0.062 174.529 174.700 -0.182 0.000 1.009 509 T CA -0.547 61.508 62.100 -0.075 0.000 0.989 509 T CB 0.388 69.226 68.868 -0.051 0.000 1.004 509 T HN 0.498 nan 8.240 nan 0.000 0.455 510 F N 0.840 120.779 119.950 -0.019 0.000 2.500 510 F HA 0.302 -0.097 4.527 -8.210 0.000 0.285 510 F C 1.495 177.280 175.800 -0.025 0.000 1.088 510 F CA -0.206 57.787 58.000 -0.012 0.000 1.432 510 F CB 0.406 39.404 39.000 -0.004 0.000 1.131 510 F HN 0.437 nan 8.300 nan 0.000 0.582 511 D N 0.831 121.312 120.400 0.135 0.000 2.343 511 D HA 0.077 -0.209 4.640 -8.210 0.000 0.255 511 D C 0.441 176.707 176.300 -0.056 0.000 1.187 511 D CA 0.149 54.176 54.000 0.045 0.000 0.875 511 D CB 0.975 41.795 40.800 0.033 0.000 1.136 511 D HN 0.013 nan 8.370 nan 0.000 0.469 512 R N 1.731 122.191 120.500 -0.067 0.000 2.468 512 R HA 0.275 -0.311 4.340 -8.210 0.000 0.280 512 R C 0.810 177.012 176.300 -0.162 0.000 0.963 512 R CA -0.363 55.626 56.100 -0.184 0.000 1.083 512 R CB 0.997 31.255 30.300 -0.071 0.000 1.200 512 R HN 0.337 nan 8.270 nan 0.000 0.541 513 G N -0.599 108.150 108.800 -0.085 0.000 2.537 513 G HA2 0.165 -0.801 3.960 -8.210 0.000 0.273 513 G HA3 0.165 -0.801 3.960 -8.210 0.000 0.273 513 G C 0.618 175.488 174.900 -0.050 0.000 1.189 513 G CA -0.449 44.626 45.100 -0.042 0.000 0.881 513 G HN -0.004 nan 8.290 nan 0.000 0.535 514 M N -0.140 119.452 119.600 -0.014 0.000 2.412 514 M HA 0.081 -0.364 4.480 -8.210 0.000 0.263 514 M C 0.980 177.295 176.300 0.026 0.000 1.122 514 M CA 0.631 55.931 55.300 0.000 0.000 1.179 514 M CB -0.107 32.497 32.600 0.008 0.000 1.335 514 M HN 0.137 nan 8.290 nan 0.000 0.465 515 V N 1.094 121.046 119.914 0.064 0.000 2.479 515 V HA -0.089 -0.895 4.120 -8.210 0.000 0.281 515 V C -0.444 175.782 176.094 0.220 0.000 1.031 515 V CA -0.037 62.344 62.300 0.135 0.000 1.038 515 V CB -0.642 31.268 31.823 0.145 0.000 0.981 515 V HN 0.734 nan 8.190 nan 0.000 0.478 516 W N 3.869 125.159 121.300 -0.016 0.000 6.351 516 W HA -0.221 -0.486 4.660 -8.209 0.000 0.403 516 W C 0.970 177.472 176.519 -0.028 0.000 1.540 516 W CA 0.399 57.734 57.345 -0.017 0.000 1.055 516 W CB -0.899 28.557 29.460 -0.007 0.000 2.721 516 W HN 0.722 nan 8.180 nan 0.000 1.542 517 N N 0.874 119.600 118.700 0.044 0.000 2.549 517 N HA 0.024 -0.161 4.740 -8.210 0.000 0.267 517 N C 1.387 176.880 175.510 -0.029 0.000 1.182 517 N CA 1.215 54.268 53.050 0.006 0.000 1.019 517 N CB 0.493 38.946 38.487 -0.056 0.000 1.380 517 N HN 0.304 nan 8.380 nan 0.000 0.505 518 T N -0.950 113.637 114.554 0.054 0.000 2.995 518 T HA -0.120 -0.696 4.350 -8.210 0.000 0.269 518 T C 1.354 176.051 174.700 -0.006 0.000 1.091 518 T CA 0.595 62.716 62.100 0.036 0.000 1.128 518 T CB 0.091 69.043 68.868 0.140 0.000 0.891 518 T HN 0.221 nan 8.240 nan 0.000 0.492 519 D N 1.103 121.505 120.400 0.004 0.000 2.144 519 D HA -0.063 -0.349 4.640 -8.210 0.000 0.199 519 D C 1.871 178.144 176.300 -0.046 0.000 0.984 519 D CA 0.620 54.621 54.000 0.001 0.000 0.834 519 D CB -0.345 40.475 40.800 0.034 0.000 0.955 519 D HN 0.365 nan 8.370 nan 0.000 0.465 520 L N 0.402 121.572 121.223 -0.088 0.000 2.095 520 L HA -0.052 -0.638 4.340 -8.210 0.000 0.204 520 L C 2.473 179.208 176.870 -0.225 0.000 1.080 520 L CA 1.511 56.265 54.840 -0.143 0.000 0.759 520 L CB -0.727 41.237 42.059 -0.157 0.000 0.914 520 L HN 0.080 nan 8.230 nan 0.000 0.439 521 V N -3.146 116.599 119.914 -0.283 0.000 2.515 521 V HA -0.148 -0.954 4.120 -8.210 0.000 0.250 521 V C 2.082 177.976 176.094 -0.333 0.000 1.058 521 V CA 1.738 63.742 62.300 -0.493 0.000 1.064 521 V CB -1.061 30.461 31.823 -0.503 0.000 0.675 521 V HN 0.544 nan 8.190 nan 0.000 0.461 522 E N 0.600 120.712 120.200 -0.147 0.000 2.285 522 E HA -0.074 -0.649 4.350 -8.210 0.000 0.194 522 E C 2.220 178.794 176.600 -0.044 0.000 0.997 522 E CA 1.391 57.762 56.400 -0.049 0.000 0.845 522 E CB -0.144 29.555 29.700 -0.003 0.000 0.782 522 E HN 0.714 nan 8.360 nan 0.000 0.491 523 T N 1.279 115.783 114.554 -0.082 0.000 2.896 523 T HA -0.027 -0.603 4.350 -8.210 0.000 0.263 523 T C 1.971 176.624 174.700 -0.079 0.000 1.050 523 T CA 0.480 62.541 62.100 -0.067 0.000 1.140 523 T CB -0.037 68.788 68.868 -0.071 0.000 0.877 523 T HN 0.073 nan 8.240 nan 0.000 0.457 524 L N 0.800 121.935 121.223 -0.148 0.000 2.046 524 L HA -0.090 -0.675 4.340 -8.210 0.000 0.208 524 L C 2.697 179.580 176.870 0.022 0.000 1.077 524 L CA 1.410 56.179 54.840 -0.118 0.000 0.747 524 L CB -0.502 41.359 42.059 -0.330 0.000 0.896 524 L HN 0.294 nan 8.230 nan 0.000 0.432 525 E N -0.262 119.960 120.200 0.036 0.000 2.153 525 E HA -0.247 -0.823 4.350 -8.210 0.000 0.194 525 E C 2.061 178.712 176.600 0.085 0.000 0.988 525 E CA 0.867 57.353 56.400 0.144 0.000 0.811 525 E CB -0.062 29.731 29.700 0.154 0.000 0.746 525 E HN 0.255 nan 8.360 nan 0.000 0.466 526 L N 1.264 122.511 121.223 0.040 0.000 2.027 526 L HA -0.210 -0.796 4.340 -8.210 0.000 0.206 526 L C 2.059 178.941 176.870 0.020 0.000 1.074 526 L CA 1.767 56.625 54.840 0.030 0.000 0.745 526 L CB -0.302 41.763 42.059 0.010 0.000 0.898 526 L HN 0.051 nan 8.230 nan 0.000 0.433 527 Q N -0.600 119.201 119.800 0.002 0.000 2.096 527 Q HA -0.227 -0.813 4.340 -8.210 0.000 0.204 527 Q C 1.946 177.973 176.000 0.045 0.000 0.982 527 Q CA 1.784 57.586 55.803 -0.002 0.000 0.850 527 Q CB -0.316 28.412 28.738 -0.016 0.000 0.901 527 Q HN 0.570 nan 8.270 nan 0.000 0.422 528 N N 0.715 119.449 118.700 0.056 0.000 2.058 528 N HA -0.126 -0.312 4.740 -8.210 0.000 0.191 528 N C 1.840 177.360 175.510 0.018 0.000 1.037 528 N CA 1.035 54.114 53.050 0.048 0.000 0.848 528 N CB -0.405 38.132 38.487 0.083 0.000 1.021 528 N HN 0.180 nan 8.380 nan 0.000 0.422 529 L N 0.235 121.482 121.223 0.040 0.000 2.042 529 L HA -0.126 -0.711 4.340 -8.210 0.000 0.210 529 L C 2.321 179.198 176.870 0.012 0.000 1.076 529 L CA 0.874 55.733 54.840 0.033 0.000 0.749 529 L CB -0.288 41.809 42.059 0.064 0.000 0.893 529 L HN 0.169 nan 8.230 nan 0.000 0.432 530 M N -0.572 119.056 119.600 0.046 0.000 2.086 530 M HA -0.212 -0.657 4.480 -8.210 0.000 0.261 530 M C 2.375 178.725 176.300 0.083 0.000 1.067 530 M CA 1.842 57.198 55.300 0.094 0.000 1.116 530 M CB -0.953 31.743 32.600 0.159 0.000 1.348 530 M HN 0.253 nan 8.290 nan 0.000 0.407 531 L N -1.013 120.252 121.223 0.071 0.000 2.131 531 L HA -0.255 -0.840 4.340 -8.210 0.000 0.210 531 L C 2.551 179.344 176.870 -0.129 0.000 1.092 531 L CA 0.852 55.684 54.840 -0.013 0.000 0.759 531 L CB -0.626 41.435 42.059 0.003 0.000 0.903 531 L HN 0.351 nan 8.230 nan 0.000 0.435 532 C N -0.632 118.553 119.300 -0.192 0.000 2.457 532 C HA -0.015 -0.480 4.460 -8.210 0.000 0.278 532 C C 3.088 177.913 174.990 -0.277 0.000 1.309 532 C CA 0.526 59.292 59.018 -0.419 0.000 1.735 532 C CB -0.893 26.425 27.740 -0.704 0.000 1.992 532 C HN 0.599 nan 8.230 nan 0.000 0.493 533 A N 0.437 123.186 122.820 -0.119 0.000 1.873 533 A HA -0.054 -0.659 4.320 -8.210 0.000 0.215 533 A C 1.947 179.526 177.584 -0.009 0.000 1.186 533 A CA 1.356 53.365 52.037 -0.047 0.000 0.616 533 A CB -0.607 18.378 19.000 -0.025 0.000 0.823 533 A HN 0.421 nan 8.150 nan 0.000 0.442 534 L N -0.081 121.134 121.223 -0.013 0.000 2.042 534 L HA -0.254 -0.839 4.340 -8.210 0.000 0.210 534 L C 2.731 179.620 176.870 0.033 0.000 1.076 534 L CA 2.177 57.024 54.840 0.012 0.000 0.749 534 L CB -0.663 41.309 42.059 -0.145 0.000 0.893 534 L HN 0.479 nan 8.230 nan 0.000 0.432 535 Q N -1.847 117.919 119.800 -0.057 0.000 2.230 535 Q HA -0.119 -0.704 4.340 -8.210 0.000 0.202 535 Q C 2.020 178.025 176.000 0.008 0.000 0.963 535 Q CA 1.600 57.372 55.803 -0.052 0.000 0.866 535 Q CB -0.139 28.526 28.738 -0.122 0.000 0.931 535 Q HN 0.512 nan 8.270 nan 0.000 0.452 536 T N 1.027 115.592 114.554 0.018 0.000 2.737 536 T HA -0.114 -0.690 4.350 -8.210 0.000 0.265 536 T C 1.774 176.519 174.700 0.075 0.000 1.038 536 T CA 0.906 63.050 62.100 0.074 0.000 1.144 536 T CB -0.099 68.858 68.868 0.147 0.000 0.866 536 T HN 0.148 nan 8.240 nan 0.000 0.434 537 I N -0.179 120.445 120.570 0.090 0.000 2.406 537 I HA -0.007 -0.763 4.170 -8.210 0.000 0.249 537 I C 1.835 177.963 176.117 0.019 0.000 1.122 537 I CA 1.148 62.483 61.300 0.059 0.000 1.431 537 I CB -0.181 37.839 38.000 0.033 0.000 1.087 537 I HN 0.168 nan 8.210 nan 0.000 0.424 538 Y N 0.469 120.753 120.300 -0.027 0.000 2.220 538 Y HA -0.005 -0.383 4.550 -8.214 0.000 0.291 538 Y C 2.565 178.450 175.900 -0.026 0.000 1.129 538 Y CA 1.563 59.649 58.100 -0.024 0.000 1.161 538 Y CB -1.141 37.299 38.460 -0.033 0.000 0.997 538 Y HN 0.186 nan 8.280 nan 0.000 0.522 539 G N -0.600 108.267 108.800 0.112 0.000 2.422 539 G HA2 -0.233 -1.199 3.960 -8.210 0.000 0.218 539 G HA3 -0.233 -1.199 3.960 -8.210 0.000 0.218 539 G C 1.870 176.705 174.900 -0.108 0.000 1.146 539 G CA 0.965 46.079 45.100 0.024 0.000 0.769 539 G HN 0.462 nan 8.290 nan 0.000 0.547 540 A N 1.431 124.177 122.820 -0.125 0.000 1.897 540 A HA 0.041 -0.565 4.320 -8.210 0.000 0.215 540 A C 2.188 179.733 177.584 -0.065 0.000 1.181 540 A CA 2.088 54.012 52.037 -0.188 0.000 0.620 540 A CB -0.384 18.614 19.000 -0.003 0.000 0.821 540 A HN 0.499 nan 8.150 nan 0.000 0.443 541 E N 0.528 120.702 120.200 -0.043 0.000 2.150 541 E HA 0.064 -0.512 4.350 -8.210 0.000 0.193 541 E C 1.659 178.219 176.600 -0.067 0.000 0.985 541 E CA 1.570 57.946 56.400 -0.041 0.000 0.814 541 E CB -0.513 29.133 29.700 -0.090 0.000 0.752 541 E HN 0.394 nan 8.360 nan 0.000 0.466 542 A N 0.850 123.633 122.820 -0.063 0.000 1.970 542 A HA -0.000 -0.606 4.320 -8.210 0.000 0.216 542 A C 1.647 179.041 177.584 -0.317 0.000 1.170 542 A CA 0.606 52.627 52.037 -0.028 0.000 0.645 542 A CB -0.448 18.643 19.000 0.152 0.000 0.816 542 A HN 0.193 nan 8.150 nan 0.000 0.447 543 R N 1.073 121.252 120.500 -0.534 0.000 2.345 543 R HA 0.166 -0.420 4.340 -8.210 0.000 0.331 543 R C -0.862 174.888 176.300 -0.917 0.000 1.067 543 R CA 0.114 55.533 56.100 -1.134 0.000 0.962 543 R CB -0.018 29.779 30.300 -0.839 0.000 0.987 543 R HN 0.183 nan 8.270 nan 0.000 0.451 544 K N 4.859 124.394 120.400 -1.441 0.000 2.805 544 K HA 0.092 -0.514 4.320 -8.210 0.000 0.227 544 K C -0.913 175.172 176.600 -0.859 0.000 1.207 544 K CA -0.241 55.348 56.287 -1.163 0.000 1.153 544 K CB 0.463 32.063 32.500 -1.499 0.000 1.688 544 K HN 0.693 nan 8.250 nan 0.000 0.467 545 E N -1.733 118.217 120.200 -0.416 0.000 2.447 545 E HA 0.375 -0.201 4.350 -8.210 0.000 0.279 545 E C -1.220 175.411 176.600 0.052 0.000 1.053 545 E CA -1.096 55.261 56.400 -0.072 0.000 0.840 545 E CB 1.248 30.916 29.700 -0.053 0.000 1.409 545 E HN -0.133 nan 8.360 nan 0.000 0.461 546 S N 0.272 116.039 115.700 0.111 0.000 2.566 546 S HA 0.508 0.052 4.470 -8.210 0.000 0.324 546 S C -0.932 173.770 174.600 0.169 0.000 1.081 546 S CA -0.703 57.558 58.200 0.102 0.000 1.105 546 S CB 0.598 63.849 63.200 0.086 0.000 0.981 546 S HN 0.438 nan 8.310 nan 0.000 0.464 547 R N 2.340 122.985 120.500 0.241 0.000 2.510 547 R HA 0.534 -0.051 4.340 -8.210 0.000 0.294 547 R C 0.728 177.224 176.300 0.327 0.000 1.056 547 R CA 0.318 56.588 56.100 0.283 0.000 0.918 547 R CB 0.747 31.245 30.300 0.331 0.000 1.187 547 R HN 0.864 nan 8.270 nan 0.000 0.437 548 G N 2.636 111.569 108.800 0.222 0.000 2.591 548 G HA2 -0.475 -1.441 3.960 -8.210 0.000 0.298 548 G HA3 -0.475 -1.441 3.960 -8.210 0.000 0.298 548 G C 0.818 175.838 174.900 0.200 0.000 1.195 548 G CA 0.630 45.845 45.100 0.193 0.000 0.989 548 G HN 0.817 nan 8.290 nan 0.000 0.551 549 A N -0.746 122.239 122.820 0.275 0.000 1.930 549 A HA 0.061 -0.545 4.320 -8.210 0.000 0.217 549 A C 1.387 179.104 177.584 0.222 0.000 1.175 549 A CA 1.904 54.090 52.037 0.247 0.000 0.627 549 A CB -0.537 18.649 19.000 0.310 0.000 0.815 549 A HN 1.068 nan 8.150 nan 0.000 0.443 550 H N 0.314 119.499 119.070 0.192 0.000 2.944 550 H HA 0.459 0.074 4.556 -8.235 0.000 0.278 550 H C -0.701 174.640 175.328 0.022 0.000 1.083 550 H CA 0.282 56.338 56.048 0.014 0.000 1.479 550 H CB 0.174 29.808 29.762 -0.214 0.000 1.486 550 H HN 0.267 nan 8.280 nan 0.000 0.493 551 A N 7.633 130.239 122.820 -0.358 0.000 2.332 551 A HA 0.407 -0.198 4.320 -8.210 0.000 0.300 551 A C -0.356 177.067 177.584 -0.269 0.000 1.153 551 A CA -0.920 50.960 52.037 -0.262 0.000 0.764 551 A CB 0.792 19.646 19.000 -0.243 0.000 1.174 551 A HN 0.671 nan 8.150 nan 0.000 0.467 552 R N 1.954 122.335 120.500 -0.198 0.000 2.312 552 R HA 0.290 -0.296 4.340 -8.210 0.000 0.311 552 R C 0.183 176.526 176.300 0.071 0.000 1.004 552 R CA -0.475 55.590 56.100 -0.058 0.000 0.902 552 R CB 1.374 31.685 30.300 0.018 0.000 1.073 552 R HN 0.812 nan 8.270 nan 0.000 0.457 553 E N 1.413 121.661 120.200 0.079 0.000 2.158 553 E HA -0.138 -0.714 4.350 -8.210 0.000 0.191 553 E C 0.732 177.320 176.600 -0.021 0.000 0.982 553 E CA 1.266 57.691 56.400 0.042 0.000 0.823 553 E CB 0.302 30.001 29.700 -0.001 0.000 0.766 553 E HN 0.570 nan 8.360 nan 0.000 0.468 554 D N -0.444 119.934 120.400 -0.036 0.000 2.289 554 D HA -0.111 -0.397 4.640 -8.210 0.000 0.207 554 D C 0.212 176.219 176.300 -0.489 0.000 0.966 554 D CA 0.389 54.251 54.000 -0.229 0.000 0.868 554 D CB -0.329 40.342 40.800 -0.215 0.000 0.943 554 D HN 0.057 nan 8.370 nan 0.000 0.514 555 F N 0.598 120.543 119.950 -0.007 0.000 2.686 555 F HA 0.366 0.091 4.527 -8.002 0.000 0.365 555 F C 1.070 176.876 175.800 0.009 0.000 1.196 555 F CA -0.901 57.099 58.000 0.001 0.000 1.198 555 F CB 1.512 40.500 39.000 -0.020 0.000 1.454 555 F HN -0.349 nan 8.300 nan 0.000 0.539 556 K N 0.165 120.637 120.400 0.121 0.000 2.288 556 K HA 0.016 -0.590 4.320 -8.210 0.000 0.201 556 K C 0.564 177.240 176.600 0.127 0.000 1.048 556 K CA 0.471 56.823 56.287 0.108 0.000 0.956 556 K CB 0.183 32.726 32.500 0.071 0.000 0.746 556 K HN 0.457 nan 8.250 nan 0.000 0.461 557 E N 1.441 121.731 120.200 0.150 0.000 2.390 557 E HA 0.039 -0.537 4.350 -8.210 0.000 0.261 557 E C 0.170 176.867 176.600 0.161 0.000 1.076 557 E CA -0.165 56.324 56.400 0.149 0.000 0.905 557 E CB 0.831 30.626 29.700 0.158 0.000 0.984 557 E HN -0.134 nan 8.360 nan 0.000 0.427 558 R N 1.922 122.514 120.500 0.154 0.000 2.280 558 R HA 0.215 -0.371 4.340 -8.210 0.000 0.326 558 R C -1.096 175.311 176.300 0.178 0.000 1.080 558 R CA -0.493 55.707 56.100 0.168 0.000 1.002 558 R CB 0.136 30.530 30.300 0.157 0.000 1.136 558 R HN 0.202 nan 8.270 nan 0.000 0.509 559 V N 5.612 125.654 119.914 0.213 0.000 2.372 559 V HA 0.156 -0.650 4.120 -8.210 0.000 0.261 559 V C 0.411 176.637 176.094 0.219 0.000 1.055 559 V CA -0.199 62.240 62.300 0.232 0.000 0.930 559 V CB 0.857 32.879 31.823 0.331 0.000 1.031 559 V HN 0.584 nan 8.190 nan 0.000 0.479 560 D N 2.997 123.478 120.400 0.136 0.000 2.650 560 D HA 0.330 0.044 4.640 -8.210 0.000 0.255 560 D C 0.866 177.011 176.300 -0.258 0.000 1.135 560 D CA -0.648 53.370 54.000 0.031 0.000 1.099 560 D CB 1.317 42.246 40.800 0.214 0.000 1.273 560 D HN 0.405 nan 8.370 nan 0.000 0.628 561 E N -0.461 119.385 120.200 -0.590 0.000 2.051 561 E HA -0.108 -0.684 4.350 -8.210 0.000 0.192 561 E C -0.013 176.161 176.600 -0.711 0.000 0.991 561 E CA 1.456 57.344 56.400 -0.853 0.000 0.799 561 E CB -0.185 28.959 29.700 -0.927 0.000 0.748 561 E HN 0.399 nan 8.360 nan 0.000 0.449 562 Y N -0.486 119.576 120.300 -0.396 0.000 2.587 562 Y HA 0.313 -0.058 4.550 -8.202 0.000 0.337 562 Y C -0.217 175.438 175.900 -0.408 0.000 1.065 562 Y CA -1.547 56.251 58.100 -0.503 0.000 1.126 562 Y CB 0.999 38.967 38.460 -0.820 0.000 1.279 562 Y HN -0.262 nan 8.280 nan 0.000 0.489 563 D N 0.572 120.918 120.400 -0.090 0.000 2.435 563 D HA 0.059 -0.227 4.640 -8.210 0.000 0.230 563 D C -0.185 176.071 176.300 -0.072 0.000 1.215 563 D CA 0.314 54.292 54.000 -0.036 0.000 0.947 563 D CB -0.241 40.556 40.800 -0.005 0.000 1.048 563 D HN 0.446 nan 8.370 nan 0.000 0.512 564 Y N 1.230 121.528 120.300 -0.003 0.000 2.632 564 Y HA -0.121 -0.502 4.550 -8.218 0.000 0.301 564 Y C 2.472 178.332 175.900 -0.066 0.000 1.172 564 Y CA 0.525 58.592 58.100 -0.055 0.000 1.328 564 Y CB -0.002 38.379 38.460 -0.131 0.000 1.016 564 Y HN 0.403 nan 8.280 nan 0.000 0.529 565 S N 0.362 116.107 115.700 0.075 0.000 2.345 565 S HA -0.141 -0.597 4.470 -8.210 0.000 0.220 565 S C 0.760 175.368 174.600 0.012 0.000 1.031 565 S CA 0.394 58.617 58.200 0.039 0.000 0.996 565 S CB -0.489 62.732 63.200 0.035 0.000 0.882 565 S HN 0.383 nan 8.310 nan 0.000 0.445 566 K N 3.026 123.420 120.400 -0.009 0.000 2.174 566 K HA 0.505 -0.101 4.320 -8.210 0.000 0.275 566 K C -2.943 173.620 176.600 -0.061 0.000 1.015 566 K CA -2.305 53.963 56.287 -0.031 0.000 0.933 566 K CB -0.015 32.465 32.500 -0.034 0.000 1.025 566 K HN 0.089 nan 8.250 nan 0.000 0.463 567 P HA -0.050 nan 4.420 nan 0.000 0.268 567 P C -0.464 176.741 177.300 -0.158 0.000 1.205 567 P CA -0.359 62.689 63.100 -0.087 0.000 0.771 567 P CB 0.400 32.061 31.700 -0.065 0.000 0.858 568 I N 2.274 122.702 120.570 -0.237 0.000 2.452 568 I HA 0.097 -0.659 4.170 -8.210 0.000 0.287 568 I C 0.677 176.623 176.117 -0.284 0.000 1.079 568 I CA 0.787 61.845 61.300 -0.403 0.000 1.387 568 I CB 0.410 37.959 38.000 -0.750 0.000 1.404 568 I HN 0.364 nan 8.210 nan 0.000 0.522 569 Q N 4.932 124.588 119.800 -0.240 0.000 1.650 569 Q HA 0.343 -0.243 4.340 -8.210 0.000 0.145 569 Q C 1.400 177.325 176.000 -0.126 0.000 0.480 569 Q CA 0.691 56.398 55.803 -0.159 0.000 0.791 569 Q CB -0.184 28.491 28.738 -0.105 0.000 0.867 569 Q HN 0.621 nan 8.270 nan 0.000 0.209 570 G N 0.806 109.551 108.800 -0.092 0.000 2.776 570 G HA2 -0.052 -1.018 3.960 -8.210 0.000 0.209 570 G HA3 -0.052 -1.018 3.960 -8.210 0.000 0.209 570 G C 0.217 175.084 174.900 -0.054 0.000 1.145 570 G CA 0.125 45.189 45.100 -0.060 0.000 0.791 570 G HN 0.259 nan 8.290 nan 0.000 0.530 571 Q N 0.205 119.951 119.800 -0.091 0.000 2.352 571 Q HA 0.295 -0.290 4.340 -8.210 0.000 0.260 571 Q C -0.045 175.972 176.000 0.028 0.000 0.976 571 Q CA -0.289 55.482 55.803 -0.054 0.000 0.881 571 Q CB 0.518 29.183 28.738 -0.122 0.000 1.235 571 Q HN 0.359 nan 8.270 nan 0.000 0.419 572 Q N 2.872 122.722 119.800 0.083 0.000 2.241 572 Q HA 0.220 -0.366 4.340 -8.210 0.000 0.254 572 Q C -0.963 175.128 176.000 0.151 0.000 0.917 572 Q CA -0.571 55.298 55.803 0.111 0.000 0.919 572 Q CB 1.125 29.894 28.738 0.052 0.000 1.237 572 Q HN 0.478 nan 8.270 nan 0.000 0.434 573 K N 2.770 123.254 120.400 0.139 0.000 2.485 573 K HA 0.023 -0.583 4.320 -8.210 0.000 0.277 573 K C -0.622 175.926 176.600 -0.085 0.000 0.990 573 K CA 0.554 56.786 56.287 -0.091 0.000 0.994 573 K CB 0.542 32.996 32.500 -0.076 0.000 0.906 573 K HN 0.440 nan 8.250 nan 0.000 0.488 574 K N 4.182 124.489 120.400 -0.156 0.000 2.201 574 K HA 0.227 -0.379 4.320 -8.210 0.000 0.278 574 K C -2.360 174.273 176.600 0.056 0.000 1.027 574 K CA -1.855 54.413 56.287 -0.032 0.000 0.909 574 K CB 0.937 33.432 32.500 -0.009 0.000 1.062 574 K HN 0.316 nan 8.250 nan 0.000 0.465 575 P HA -0.089 nan 4.420 nan 0.000 0.268 575 P C 0.187 177.512 177.300 0.042 0.000 1.208 575 P CA -0.043 63.093 63.100 0.059 0.000 0.777 575 P CB 0.361 32.071 31.700 0.015 0.000 0.875 576 F N 1.950 121.846 119.950 -0.089 0.000 2.115 576 F HA -0.274 -0.642 4.527 -8.158 0.000 0.300 576 F C 1.787 177.280 175.800 -0.511 0.000 1.092 576 F CA 1.546 59.387 58.000 -0.265 0.000 1.245 576 F CB -0.024 38.902 39.000 -0.125 0.000 0.995 576 F HN 0.312 nan 8.300 nan 0.000 0.481 577 Q N 0.267 119.857 119.800 -0.350 0.000 2.239 577 Q HA 0.036 -0.549 4.340 -8.210 0.000 0.219 577 Q C 0.495 176.202 176.000 -0.488 0.000 0.901 577 Q CA 0.451 55.967 55.803 -0.478 0.000 0.949 577 Q CB -0.004 28.628 28.738 -0.176 0.000 1.038 577 Q HN 0.614 nan 8.270 nan 0.000 0.458 578 E N 0.505 120.403 120.200 -0.503 0.000 2.441 578 E HA 0.042 -0.534 4.350 -8.210 0.000 0.212 578 E C 0.437 176.802 176.600 -0.393 0.000 0.840 578 E CA 0.002 56.192 56.400 -0.350 0.000 1.143 578 E CB 0.465 30.080 29.700 -0.142 0.000 1.153 578 E HN 0.580 nan 8.360 nan 0.000 0.539 579 H N -2.272 116.515 119.070 -0.472 0.000 2.669 579 H HA 0.205 -0.165 4.556 -8.210 0.000 0.318 579 H C -0.335 174.585 175.328 -0.679 0.000 1.429 579 H CA -0.741 55.068 56.048 -0.399 0.000 1.460 579 H CB 0.469 30.110 29.762 -0.202 0.000 1.784 579 H HN -0.014 nan 8.280 nan 0.000 0.750 580 W N -0.701 120.566 121.300 -0.055 0.000 2.684 580 W HA 0.332 4.839 4.660 -0.255 0.000 0.381 580 W C 1.064 177.563 176.519 -0.034 0.000 0.975 580 W CA -0.504 56.741 57.345 -0.167 0.000 1.789 580 W CB 0.900 30.296 29.460 -0.107 0.000 1.161 580 W HN 0.258 nan 8.180 nan 0.000 0.564 581 R N 3.229 123.928 120.500 0.330 0.000 4.576 581 R HA 0.066 -0.519 4.340 -8.210 0.000 0.185 581 R C -0.148 176.227 176.300 0.125 0.000 1.837 581 R CA 0.574 56.814 56.100 0.234 0.000 1.520 581 R CB -0.960 29.458 30.300 0.197 0.000 1.403 581 R HN 0.246 nan 8.270 nan 0.000 0.831 582 K N -0.727 119.682 120.400 0.016 0.000 2.556 582 K HA 0.285 -0.321 4.320 -8.210 0.000 0.274 582 K C -1.059 175.554 176.600 0.021 0.000 0.966 582 K CA -0.962 55.310 56.287 -0.024 0.000 0.865 582 K CB 1.323 33.722 32.500 -0.168 0.000 1.444 582 K HN 0.047 nan 8.250 nan 0.000 0.433 583 H N 1.097 120.308 119.070 0.235 0.000 2.722 583 H HA 0.136 -0.231 4.556 -8.206 0.000 0.328 583 H C -0.337 175.211 175.328 0.367 0.000 1.067 583 H CA 0.046 56.236 56.048 0.237 0.000 1.447 583 H CB 1.192 31.039 29.762 0.141 0.000 1.469 583 H HN 0.483 nan 8.280 nan 0.000 0.544 584 T N 5.621 120.483 114.554 0.515 0.000 2.737 584 T HA 0.266 -0.310 4.350 -8.210 0.000 0.296 584 T C 0.846 175.625 174.700 0.132 0.000 0.922 584 T CA -0.465 61.902 62.100 0.445 0.000 1.079 584 T CB 0.053 69.160 68.868 0.399 0.000 0.892 584 T HN 0.236 nan 8.240 nan 0.000 0.514 585 L N 3.847 125.020 121.223 -0.084 0.000 2.296 585 L HA 0.529 -0.057 4.340 -8.210 0.000 0.286 585 L C 0.415 177.114 176.870 -0.285 0.000 1.023 585 L CA -0.694 54.022 54.840 -0.206 0.000 0.812 585 L CB 1.470 43.388 42.059 -0.234 0.000 1.223 585 L HN 0.666 nan 8.230 nan 0.000 0.421 586 S N 1.681 117.173 115.700 -0.348 0.000 2.500 586 S HA 0.765 0.309 4.470 -8.210 0.000 0.301 586 S C -1.041 173.275 174.600 -0.473 0.000 1.092 586 S CA -0.755 57.273 58.200 -0.286 0.000 1.030 586 S CB 1.432 64.535 63.200 -0.162 0.000 1.031 586 S HN 0.355 nan 8.310 nan 0.000 0.483 587 Y N 0.241 120.472 120.300 -0.115 0.000 2.633 587 Y HA 0.811 0.433 4.550 -8.213 0.000 0.339 587 Y C -0.240 175.570 175.900 -0.149 0.000 1.045 587 Y CA -1.146 56.886 58.100 -0.113 0.000 1.098 587 Y CB 2.055 40.458 38.460 -0.095 0.000 1.296 587 Y HN 0.706 nan 8.280 nan 0.000 0.494 588 V N 1.519 121.450 119.914 0.027 0.000 2.752 588 V HA 0.263 -0.543 4.120 -8.210 0.000 0.302 588 V C -1.517 174.531 176.094 -0.077 0.000 1.133 588 V CA -0.698 61.544 62.300 -0.096 0.000 0.919 588 V CB 1.679 33.378 31.823 -0.207 0.000 1.026 588 V HN 0.857 nan 8.190 nan 0.000 0.429 589 D N 5.013 125.354 120.400 -0.098 0.000 2.363 589 D HA 0.108 -0.178 4.640 -8.210 0.000 0.263 589 D C 1.266 177.525 176.300 -0.068 0.000 1.258 589 D CA 0.323 54.281 54.000 -0.070 0.000 0.907 589 D CB 1.865 42.622 40.800 -0.070 0.000 1.107 589 D HN 0.457 nan 8.370 nan 0.000 0.495 590 V N 5.170 125.079 119.914 -0.009 0.000 2.546 590 V HA -0.264 -1.070 4.120 -8.210 0.000 0.254 590 V C 2.368 178.553 176.094 0.152 0.000 1.076 590 V CA 1.557 63.901 62.300 0.075 0.000 1.087 590 V CB -0.427 31.442 31.823 0.076 0.000 0.674 590 V HN 0.537 nan 8.190 nan 0.000 0.470 591 K N 0.770 121.215 120.400 0.076 0.000 1.980 591 K HA -0.104 -0.710 4.320 -8.210 0.000 0.208 591 K C 2.299 178.965 176.600 0.110 0.000 1.043 591 K CA 1.915 58.253 56.287 0.086 0.000 0.938 591 K CB -0.622 31.899 32.500 0.034 0.000 0.724 591 K HN 0.651 nan 8.250 nan 0.000 0.438 592 T N -2.222 112.351 114.554 0.032 0.000 3.088 592 T HA 0.114 -0.461 4.350 -8.210 0.000 0.259 592 T C 1.329 175.992 174.700 -0.062 0.000 1.122 592 T CA 0.563 62.669 62.100 0.010 0.000 1.095 592 T CB 0.104 68.959 68.868 -0.022 0.000 0.930 592 T HN 0.437 nan 8.240 nan 0.000 0.508 593 G N 1.573 110.247 108.800 -0.209 0.000 2.176 593 G HA2 -0.284 -1.250 3.960 -8.210 0.000 0.252 593 G HA3 -0.284 -1.250 3.960 -8.210 0.000 0.252 593 G C -0.114 174.508 174.900 -0.463 0.000 1.024 593 G CA 0.279 45.001 45.100 -0.631 0.000 0.755 593 G HN 0.786 nan 8.290 nan 0.000 0.507 594 K N 0.256 120.473 120.400 -0.305 0.000 2.234 594 K HA 0.500 -0.106 4.320 -8.210 0.000 0.282 594 K C 0.242 176.641 176.600 -0.335 0.000 1.039 594 K CA -0.585 55.524 56.287 -0.297 0.000 0.928 594 K CB 0.922 33.320 32.500 -0.169 0.000 1.039 594 K HN 0.005 nan 8.250 nan 0.000 0.470 595 V N 4.443 124.064 119.914 -0.488 0.000 2.348 595 V HA 0.122 -0.684 4.120 -8.210 0.000 0.270 595 V C -0.165 175.813 176.094 -0.194 0.000 1.037 595 V CA -0.559 61.508 62.300 -0.389 0.000 0.872 595 V CB 0.844 32.311 31.823 -0.594 0.000 1.002 595 V HN 0.866 nan 8.190 nan 0.000 0.464 596 S N 6.549 122.203 115.700 -0.078 0.000 2.509 596 S HA 0.903 0.447 4.470 -8.210 0.000 0.297 596 S C -0.702 173.934 174.600 0.059 0.000 1.118 596 S CA -0.817 57.375 58.200 -0.012 0.000 1.074 596 S CB 1.618 64.797 63.200 -0.034 0.000 1.038 596 S HN 0.696 nan 8.310 nan 0.000 0.498 597 L N 0.025 121.255 121.223 0.012 0.000 2.476 597 L HA 0.751 0.165 4.340 -8.210 0.000 0.269 597 L C -0.514 176.213 176.870 -0.239 0.000 0.965 597 L CA -0.912 53.879 54.840 -0.082 0.000 0.845 597 L CB 1.358 43.336 42.059 -0.136 0.000 1.259 597 L HN 0.855 nan 8.230 nan 0.000 0.403 598 E N 1.762 121.823 120.200 -0.231 0.000 2.469 598 E HA 0.679 0.103 4.350 -8.210 0.000 0.246 598 E C -1.419 174.808 176.600 -0.621 0.000 0.969 598 E CA -0.989 55.237 56.400 -0.289 0.000 0.881 598 E CB 1.396 31.133 29.700 0.061 0.000 1.320 598 E HN 0.567 nan 8.360 nan 0.000 0.421 599 Y N -1.213 119.145 120.300 0.095 0.000 2.609 599 Y HA 0.498 0.163 4.550 -8.141 0.000 0.342 599 Y C -0.431 175.479 175.900 0.016 0.000 1.058 599 Y CA -1.224 56.925 58.100 0.081 0.000 1.055 599 Y CB 2.308 40.826 38.460 0.097 0.000 1.292 599 Y HN 0.611 nan 8.280 nan 0.000 0.476 600 R N 0.195 120.846 120.500 0.252 0.000 2.698 600 R HA 0.730 0.144 4.340 -8.210 0.000 0.275 600 R C -3.529 173.013 176.300 0.404 0.000 1.001 600 R CA -2.199 54.011 56.100 0.183 0.000 0.896 600 R CB 2.156 32.393 30.300 -0.105 0.000 1.218 600 R HN 0.186 nan 8.270 nan 0.000 0.462 601 P HA 0.062 nan 4.420 nan 0.000 0.274 601 P C -0.361 177.092 177.300 0.255 0.000 1.237 601 P CA -0.739 62.560 63.100 0.333 0.000 0.793 601 P CB 0.764 32.551 31.700 0.145 0.000 0.977 602 V N -0.144 119.855 119.914 0.141 0.000 2.583 602 V HA 0.309 -0.496 4.120 -8.210 0.000 0.287 602 V C 0.291 176.487 176.094 0.170 0.000 1.051 602 V CA -0.468 61.886 62.300 0.090 0.000 1.010 602 V CB -0.142 31.651 31.823 -0.050 0.000 0.988 602 V HN 0.276 nan 8.190 nan 0.000 0.478 603 I N 3.888 124.581 120.570 0.205 0.000 2.379 603 I HA 0.240 -0.515 4.170 -8.210 0.000 0.290 603 I C 0.553 176.770 176.117 0.167 0.000 1.063 603 I CA 0.180 61.584 61.300 0.174 0.000 1.351 603 I CB 0.668 38.771 38.000 0.172 0.000 1.410 603 I HN 0.681 nan 8.210 nan 0.000 0.505 604 D N 4.174 124.669 120.400 0.158 0.000 2.388 604 D HA 0.013 -0.272 4.640 -8.210 0.000 0.208 604 D C 0.459 176.865 176.300 0.176 0.000 1.035 604 D CA 0.440 54.543 54.000 0.172 0.000 0.875 604 D CB 0.378 41.274 40.800 0.161 0.000 0.984 604 D HN 0.463 nan 8.370 nan 0.000 0.508 605 K N 1.265 121.753 120.400 0.148 0.000 2.368 605 K HA 0.278 -0.328 4.320 -8.210 0.000 0.282 605 K C 0.596 177.285 176.600 0.148 0.000 1.035 605 K CA -0.375 55.992 56.287 0.134 0.000 0.973 605 K CB 0.719 33.279 32.500 0.101 0.000 0.957 605 K HN -0.144 nan 8.250 nan 0.000 0.474 606 T N 0.141 114.797 114.554 0.170 0.000 2.793 606 T HA 0.150 -0.425 4.350 -8.210 0.000 0.299 606 T C 1.175 175.952 174.700 0.128 0.000 1.038 606 T CA -0.670 61.563 62.100 0.222 0.000 0.948 606 T CB 0.209 69.237 68.868 0.265 0.000 1.231 606 T HN 0.539 nan 8.240 nan 0.000 0.538 607 L N 0.050 121.336 121.223 0.104 0.000 2.240 607 L HA 0.267 -0.319 4.340 -8.210 0.000 0.211 607 L C 0.861 177.724 176.870 -0.011 0.000 1.106 607 L CA 0.641 55.381 54.840 -0.166 0.000 0.793 607 L CB -0.312 41.401 42.059 -0.576 0.000 0.927 607 L HN 0.655 nan 8.230 nan 0.000 0.446 608 N N -0.946 117.865 118.700 0.185 0.000 2.578 608 N HA 0.034 -0.152 4.740 -8.210 0.000 0.282 608 N C 0.160 175.753 175.510 0.137 0.000 1.119 608 N CA -0.203 52.943 53.050 0.159 0.000 0.948 608 N CB 1.401 39.988 38.487 0.167 0.000 1.546 608 N HN -0.115 nan 8.380 nan 0.000 0.525 609 E N 3.292 123.537 120.200 0.075 0.000 2.106 609 E HA 0.052 -0.524 4.350 -8.210 0.000 0.192 609 E C 1.452 178.057 176.600 0.009 0.000 0.984 609 E CA 1.870 58.291 56.400 0.036 0.000 0.806 609 E CB -0.034 29.689 29.700 0.039 0.000 0.750 609 E HN 0.648 nan 8.360 nan 0.000 0.458 610 A N 0.242 123.077 122.820 0.025 0.000 1.933 610 A HA -0.180 -0.786 4.320 -8.210 0.000 0.218 610 A C 2.038 179.623 177.584 0.002 0.000 1.175 610 A CA 1.971 54.016 52.037 0.013 0.000 0.628 610 A CB -0.635 18.381 19.000 0.025 0.000 0.814 610 A HN 0.357 nan 8.150 nan 0.000 0.444 611 D N -2.570 117.850 120.400 0.032 0.000 2.271 611 D HA 0.039 -0.247 4.640 -8.210 0.000 0.206 611 D C -0.010 176.220 176.300 -0.117 0.000 0.967 611 D CA 0.818 54.840 54.000 0.038 0.000 0.867 611 D CB 0.275 41.189 40.800 0.190 0.000 0.960 611 D HN 0.279 nan 8.370 nan 0.000 0.509 612 C N 1.167 120.349 119.300 -0.196 0.000 3.027 612 C HA 0.763 0.298 4.460 -8.210 0.000 0.350 612 C C -0.488 174.302 174.990 -0.333 0.000 1.042 612 C CA -0.789 57.939 59.018 -0.484 0.000 1.350 612 C CB -0.590 26.515 27.740 -1.058 0.000 1.809 612 C HN 0.287 nan 8.230 nan 0.000 0.513 613 A N 4.738 127.443 122.820 -0.192 0.000 2.450 613 A HA 0.543 -0.063 4.320 -8.210 0.000 0.255 613 A C 0.730 178.350 177.584 0.060 0.000 1.096 613 A CA 0.454 52.458 52.037 -0.055 0.000 0.778 613 A CB 0.193 19.163 19.000 -0.050 0.000 1.031 613 A HN 0.918 nan 8.150 nan 0.000 0.494 614 T N 1.763 116.389 114.554 0.121 0.000 2.946 614 T HA 0.254 -0.322 4.350 -8.210 0.000 0.312 614 T C 0.229 175.100 174.700 0.285 0.000 1.066 614 T CA 0.215 62.462 62.100 0.244 0.000 1.138 614 T CB 0.257 69.237 68.868 0.187 0.000 1.014 614 T HN 0.426 nan 8.240 nan 0.000 0.544 615 V N 7.404 127.548 119.914 0.384 0.000 2.294 615 V HA 0.275 -0.531 4.120 -8.210 0.000 0.272 615 V C -1.756 174.567 176.094 0.383 0.000 1.027 615 V CA -1.808 60.726 62.300 0.390 0.000 0.823 615 V CB 0.788 32.854 31.823 0.405 0.000 1.030 615 V HN 0.751 nan 8.190 nan 0.000 0.457 616 P HA 0.295 nan 4.420 nan 0.000 0.274 616 P C -2.766 174.192 177.300 -0.571 0.000 1.237 616 P CA -1.838 61.210 63.100 -0.087 0.000 0.793 616 P CB 0.173 31.847 31.700 -0.043 0.000 0.977 617 P HA 0.252 nan 4.420 nan 0.000 0.267 617 P C -0.635 175.774 177.300 -1.484 0.000 1.200 617 P CA 0.554 62.259 63.100 -2.325 0.000 0.772 617 P CB 0.247 30.723 31.700 -2.039 0.000 0.855 618 A N 2.535 124.512 122.820 -1.406 0.000 2.588 618 A HA 0.553 -0.053 4.320 -8.210 0.000 0.290 618 A C -0.773 176.630 177.584 -0.302 0.000 1.136 618 A CA -0.816 50.909 52.037 -0.521 0.000 0.681 618 A CB 0.550 19.413 19.000 -0.229 0.000 1.282 618 A HN 0.415 nan 8.150 nan 0.000 0.421 619 I N 1.264 121.789 120.570 -0.075 0.000 2.742 619 I HA 0.104 -0.651 4.170 -8.210 0.000 0.287 619 I C 0.855 177.018 176.117 0.077 0.000 1.186 619 I CA 0.672 61.983 61.300 0.019 0.000 1.417 619 I CB 0.223 38.242 38.000 0.031 0.000 1.377 619 I HN 0.632 nan 8.210 nan 0.000 0.556 620 R N 5.393 125.979 120.500 0.144 0.000 2.288 620 R HA 0.636 0.051 4.340 -8.210 0.000 0.326 620 R C -0.974 175.361 176.300 0.058 0.000 0.959 620 R CA -0.482 55.699 56.100 0.134 0.000 0.834 620 R CB 1.221 31.699 30.300 0.297 0.000 1.157 620 R HN 0.605 nan 8.270 nan 0.000 0.470 621 S N 2.122 117.781 115.700 -0.068 0.000 2.556 621 S HA 0.535 0.079 4.470 -8.210 0.000 0.271 621 S C -1.058 173.445 174.600 -0.161 0.000 1.135 621 S CA -0.868 57.334 58.200 0.002 0.000 0.858 621 S CB 0.860 64.102 63.200 0.070 0.000 1.114 621 S HN 0.505 nan 8.310 nan 0.000 0.468 622 Y N 0.000 120.338 120.300 0.063 0.000 2.660 622 Y HA 0.000 -0.377 4.550 -8.212 0.000 0.201 622 Y CA 0.000 58.128 58.100 0.046 0.000 1.940 622 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758