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 1fpy_1_H DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWKGI NESDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPGYEAPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDKNLYDLP DATA SEQUENCE PEEAKEIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.481 174.600 -0.199 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 1 S CB 0.000 63.351 63.200 0.252 0.000 0.593 2 A N 1.946 124.526 122.820 -0.400 0.000 1.865 2 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 2 A C 2.030 179.371 177.584 -0.405 0.000 1.191 2 A CA 2.221 53.769 52.037 -0.816 0.000 0.623 2 A CB -0.993 17.604 19.000 -0.672 0.000 0.826 2 A HN 0.898 nan 8.150 nan 0.000 0.444 3 E N -0.308 119.780 120.200 -0.187 0.000 2.023 3 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 3 E C 1.920 178.527 176.600 0.012 0.000 1.003 3 E CA 2.076 58.438 56.400 -0.063 0.000 0.809 3 E CB -0.818 28.865 29.700 -0.029 0.000 0.755 3 E HN 0.762 nan 8.360 nan 0.000 0.449 4 H N -0.165 118.861 119.070 -0.072 0.000 2.292 4 H HA -0.172 4.384 4.556 0.000 0.000 0.292 4 H C 2.018 177.348 175.328 0.004 0.000 1.100 4 H CA 2.193 58.224 56.048 -0.028 0.000 1.238 4 H CB -0.109 29.637 29.762 -0.027 0.000 1.355 4 H HN 0.187 nan 8.280 nan 0.000 0.484 5 V N 1.561 121.390 119.914 -0.142 0.000 2.282 5 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 5 V C 2.953 179.041 176.094 -0.010 0.000 1.057 5 V CA 1.563 63.791 62.300 -0.120 0.000 1.032 5 V CB -0.678 31.186 31.823 0.068 0.000 0.645 5 V HN 0.412 nan 8.190 nan 0.000 0.447 6 L N 0.605 121.846 121.223 0.030 0.000 2.042 6 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 6 L C 2.882 179.776 176.870 0.040 0.000 1.076 6 L CA 2.912 57.790 54.840 0.063 0.000 0.749 6 L CB -1.837 40.259 42.059 0.062 0.000 0.893 6 L HN 0.693 nan 8.230 nan 0.000 0.432 7 T N -2.400 112.172 114.554 0.029 0.000 2.777 7 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 7 T C 1.929 176.647 174.700 0.029 0.000 1.040 7 T CA 1.467 63.589 62.100 0.036 0.000 1.141 7 T CB -0.195 68.709 68.868 0.060 0.000 0.868 7 T HN 0.197 nan 8.240 nan 0.000 0.444 8 M N 0.058 119.658 119.600 0.000 0.000 2.358 8 M HA 0.131 4.611 4.480 -0.000 0.000 0.264 8 M C 1.907 178.257 176.300 0.084 0.000 1.064 8 M CA 1.187 56.502 55.300 0.025 0.000 1.093 8 M CB -0.243 32.288 32.600 -0.115 0.000 1.401 8 M HN 0.331 nan 8.290 nan 0.000 0.440 9 L N -0.611 120.645 121.223 0.055 0.000 2.072 9 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 9 L C 1.659 178.564 176.870 0.058 0.000 1.079 9 L CA 1.264 56.141 54.840 0.062 0.000 0.752 9 L CB -0.735 41.355 42.059 0.052 0.000 0.906 9 L HN 0.313 nan 8.230 nan 0.000 0.436 10 N N -0.289 118.435 118.700 0.040 0.000 2.331 10 N HA -0.186 4.554 4.740 -0.000 0.000 0.180 10 N C 1.680 177.195 175.510 0.008 0.000 1.019 10 N CA 0.657 53.721 53.050 0.023 0.000 0.881 10 N CB 0.000 38.498 38.487 0.017 0.000 0.972 10 N HN 0.316 nan 8.380 nan 0.000 0.435 11 E N -0.222 119.977 120.200 -0.001 0.000 2.208 11 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 11 E C 0.543 177.034 176.600 -0.181 0.000 0.988 11 E CA 0.871 57.217 56.400 -0.090 0.000 0.828 11 E CB 0.163 29.800 29.700 -0.106 0.000 0.763 11 E HN 0.518 nan 8.360 nan 0.000 0.478 12 H N -0.148 118.926 119.070 0.007 0.000 2.674 12 H HA 0.157 4.713 4.556 -0.000 0.000 0.274 12 H C -0.453 174.881 175.328 0.010 0.000 1.121 12 H CA 0.201 56.255 56.048 0.010 0.000 1.132 12 H CB 0.568 30.336 29.762 0.010 0.000 1.606 12 H HN 0.209 nan 8.280 nan 0.000 0.558 13 E N 0.673 120.928 120.200 0.091 0.000 2.228 13 E HA -0.150 4.200 4.350 -0.000 0.000 0.213 13 E C -0.320 176.311 176.600 0.052 0.000 1.282 13 E CA 0.061 56.492 56.400 0.051 0.000 0.707 13 E CB -1.280 28.444 29.700 0.040 0.000 1.150 13 E HN 0.091 nan 8.360 nan 0.000 0.362 14 V N 1.169 121.118 119.914 0.059 0.000 2.585 14 V HA -0.083 4.037 4.120 -0.000 0.000 0.296 14 V C 1.550 177.614 176.094 -0.050 0.000 1.035 14 V CA 0.484 62.805 62.300 0.036 0.000 1.084 14 V CB 1.182 33.030 31.823 0.042 0.000 0.953 14 V HN 0.277 nan 8.190 nan 0.000 0.483 15 K N 3.110 123.458 120.400 -0.086 0.000 2.244 15 K HA 0.282 4.602 4.320 -0.000 0.000 0.200 15 K C -0.039 176.127 176.600 -0.722 0.000 1.052 15 K CA 0.858 56.918 56.287 -0.378 0.000 0.980 15 K CB 0.331 32.639 32.500 -0.321 0.000 0.838 15 K HN 0.533 nan 8.250 nan 0.000 0.481 16 F N -0.494 119.447 119.950 -0.015 0.000 2.640 16 F HA 0.433 4.960 4.527 -0.000 0.000 0.324 16 F C -0.338 175.457 175.800 -0.008 0.000 1.077 16 F CA -1.263 56.716 58.000 -0.035 0.000 0.965 16 F CB 1.598 40.590 39.000 -0.014 0.000 1.351 16 F HN -0.484 nan 8.300 nan 0.000 0.487 17 V N 0.789 120.820 119.914 0.195 0.000 2.525 17 V HA 0.311 4.431 4.120 -0.000 0.000 0.299 17 V C -1.519 174.656 176.094 0.135 0.000 1.034 17 V CA -0.641 61.729 62.300 0.116 0.000 0.863 17 V CB 1.792 33.627 31.823 0.019 0.000 0.999 17 V HN 0.639 nan 8.190 nan 0.000 0.423 18 D N 3.994 124.487 120.400 0.156 0.000 2.373 18 D HA 0.498 5.138 4.640 -0.000 0.000 0.227 18 D C -0.725 175.655 176.300 0.133 0.000 1.091 18 D CA -0.308 53.798 54.000 0.177 0.000 0.840 18 D CB 1.221 42.174 40.800 0.256 0.000 1.060 18 D HN 0.176 nan 8.370 nan 0.000 0.502 19 L N 4.453 125.754 121.223 0.129 0.000 2.281 19 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 19 L C 0.471 177.427 176.870 0.145 0.000 1.074 19 L CA 0.141 55.059 54.840 0.129 0.000 0.817 19 L CB 0.532 42.657 42.059 0.110 0.000 1.168 19 L HN 0.344 nan 8.230 nan 0.000 0.434 20 R N 4.329 124.906 120.500 0.128 0.000 2.750 20 R HA 0.798 5.138 4.340 -0.000 0.000 0.281 20 R C -1.034 175.378 176.300 0.186 0.000 0.972 20 R CA -0.675 55.470 56.100 0.074 0.000 0.912 20 R CB 2.379 32.660 30.300 -0.032 0.000 1.187 20 R HN 0.502 nan 8.270 nan 0.000 0.464 21 F N -2.256 117.705 119.950 0.018 0.000 2.745 21 F HA 0.599 5.126 4.527 -0.000 0.000 0.316 21 F C -1.284 174.569 175.800 0.088 0.000 1.155 21 F CA -0.969 57.060 58.000 0.048 0.000 0.937 21 F CB 1.673 40.705 39.000 0.053 0.000 1.361 21 F HN 0.199 nan 8.300 nan 0.000 0.472 22 T N 1.542 116.322 114.554 0.376 0.000 2.807 22 T HA 0.319 4.669 4.350 -0.000 0.000 0.279 22 T C -0.964 173.977 174.700 0.400 0.000 0.993 22 T CA -0.627 61.617 62.100 0.239 0.000 0.970 22 T CB 1.285 70.347 68.868 0.324 0.000 0.950 22 T HN 0.800 nan 8.240 nan 0.000 0.441 23 D N 1.806 122.291 120.400 0.141 0.000 2.411 23 D HA 0.109 4.749 4.640 -0.000 0.000 0.251 23 D C 0.944 177.355 176.300 0.185 0.000 1.201 23 D CA -0.314 53.700 54.000 0.023 0.000 0.996 23 D CB 0.873 41.509 40.800 -0.274 0.000 1.101 23 D HN 0.315 nan 8.370 nan 0.000 0.504 24 T N 0.617 115.270 114.554 0.166 0.000 2.652 24 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 24 T C 1.759 176.590 174.700 0.219 0.000 1.039 24 T CA 1.816 64.098 62.100 0.303 0.000 1.153 24 T CB -0.204 68.857 68.868 0.323 0.000 0.863 24 T HN 0.434 nan 8.240 nan 0.000 0.428 25 K N -0.065 120.378 120.400 0.071 0.000 2.209 25 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 25 K C 1.622 178.277 176.600 0.091 0.000 1.048 25 K CA 1.053 57.364 56.287 0.040 0.000 0.940 25 K CB -0.091 32.392 32.500 -0.029 0.000 0.729 25 K HN 0.482 nan 8.250 nan 0.000 0.451 26 G N -0.026 108.828 108.800 0.091 0.000 2.260 26 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.179 26 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.179 26 G C -0.393 174.527 174.900 0.033 0.000 1.002 26 G CA -0.388 44.762 45.100 0.082 0.000 0.677 26 G HN 0.104 nan 8.290 nan 0.000 0.486 27 K N 2.026 122.427 120.400 0.002 0.000 2.379 27 K HA 0.429 4.749 4.320 -0.000 0.000 0.284 27 K C 0.470 177.024 176.600 -0.077 0.000 1.044 27 K CA -0.289 55.978 56.287 -0.032 0.000 0.974 27 K CB 0.553 33.024 32.500 -0.048 0.000 0.962 27 K HN 0.358 nan 8.250 nan 0.000 0.474 28 E N 3.616 123.771 120.200 -0.075 0.000 2.344 28 E HA -0.018 4.332 4.350 -0.000 0.000 0.270 28 E C -0.556 175.894 176.600 -0.249 0.000 1.021 28 E CA -0.229 56.087 56.400 -0.140 0.000 0.887 28 E CB 0.522 30.167 29.700 -0.092 0.000 0.997 28 E HN 0.442 nan 8.360 nan 0.000 0.429 29 Q N 2.902 122.385 119.800 -0.528 0.000 2.297 29 Q HA 0.354 4.694 4.340 -0.000 0.000 0.269 29 Q C -0.244 175.482 176.000 -0.456 0.000 1.051 29 Q CA -0.737 54.694 55.803 -0.619 0.000 0.869 29 Q CB 1.955 29.995 28.738 -1.163 0.000 1.346 29 Q HN 0.711 nan 8.270 nan 0.000 0.457 30 H N -2.245 116.622 119.070 -0.339 0.000 3.016 30 H HA 0.765 5.321 4.556 -0.000 0.000 0.362 30 H C -1.656 173.638 175.328 -0.056 0.000 1.233 30 H CA -0.913 55.042 56.048 -0.155 0.000 1.124 30 H CB 1.537 31.242 29.762 -0.094 0.000 1.850 30 H HN 0.398 nan 8.280 nan 0.000 0.549 31 V N 1.555 121.434 119.914 -0.059 0.000 2.891 31 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 31 V C -1.087 175.003 176.094 -0.006 0.000 1.171 31 V CA -0.235 61.984 62.300 -0.134 0.000 0.943 31 V CB 2.309 34.085 31.823 -0.079 0.000 1.037 31 V HN 1.091 nan 8.190 nan 0.000 0.427 32 T N 7.250 121.783 114.554 -0.035 0.000 2.824 32 T HA 0.760 5.110 4.350 -0.000 0.000 0.280 32 T C -0.760 173.949 174.700 0.015 0.000 0.995 32 T CA -0.239 61.871 62.100 0.017 0.000 1.009 32 T CB 1.438 70.282 68.868 -0.040 0.000 0.955 32 T HN 0.479 nan 8.240 nan 0.000 0.452 33 I N 3.899 124.495 120.570 0.043 0.000 2.545 33 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 33 I C -2.495 173.623 176.117 0.002 0.000 1.040 33 I CA -2.631 58.654 61.300 -0.025 0.000 1.068 33 I CB 2.307 40.209 38.000 -0.163 0.000 1.251 33 I HN 0.370 nan 8.210 nan 0.000 0.424 34 P HA 0.147 nan 4.420 nan 0.000 0.269 34 P C 0.079 177.094 177.300 -0.476 0.000 1.209 34 P CA -0.118 62.720 63.100 -0.436 0.000 0.776 34 P CB 0.769 31.951 31.700 -0.863 0.000 0.876 35 A N 3.132 125.691 122.820 -0.434 0.000 1.978 35 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 35 A C 1.731 179.206 177.584 -0.182 0.000 1.170 35 A CA 2.207 54.098 52.037 -0.243 0.000 0.636 35 A CB -1.740 17.156 19.000 -0.173 0.000 0.810 35 A HN 0.798 nan 8.150 nan 0.000 0.448 36 H N -1.551 117.444 119.070 -0.124 0.000 2.491 36 H HA 0.020 4.576 4.556 -0.000 0.000 0.290 36 H C 1.453 176.724 175.328 -0.095 0.000 1.050 36 H CA 1.357 57.352 56.048 -0.089 0.000 1.309 36 H CB -0.386 29.328 29.762 -0.080 0.000 1.392 36 H HN 0.376 nan 8.280 nan 0.000 0.554 37 Q N 0.751 120.551 119.800 -0.001 0.000 2.482 37 Q HA 0.131 4.471 4.340 -0.000 0.000 0.209 37 Q C -0.028 175.830 176.000 -0.237 0.000 0.961 37 Q CA 0.176 55.951 55.803 -0.048 0.000 0.945 37 Q CB 0.363 29.003 28.738 -0.164 0.000 1.012 37 Q HN 0.364 nan 8.270 nan 0.000 0.515 38 V N 3.402 123.189 119.914 -0.213 0.000 2.348 38 V HA 0.162 4.282 4.120 -0.000 0.000 0.270 38 V C 0.056 176.201 176.094 0.085 0.000 1.037 38 V CA -0.488 61.700 62.300 -0.186 0.000 0.872 38 V CB 0.676 32.444 31.823 -0.092 0.000 1.002 38 V HN 0.367 nan 8.190 nan 0.000 0.464 39 N N 4.350 123.166 118.700 0.193 0.000 3.229 39 N HA 0.644 5.384 4.740 -0.000 0.000 0.315 39 N C 0.821 176.520 175.510 0.314 0.000 1.520 39 N CA -0.213 52.968 53.050 0.218 0.000 0.769 39 N CB 1.050 39.620 38.487 0.138 0.000 1.766 39 N HN 0.327 nan 8.380 nan 0.000 0.618 40 A N 0.162 123.116 122.820 0.224 0.000 1.859 40 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 40 A C 1.696 179.408 177.584 0.214 0.000 1.209 40 A CA 2.377 54.538 52.037 0.207 0.000 0.639 40 A CB -1.295 17.780 19.000 0.125 0.000 0.835 40 A HN 0.853 nan 8.150 nan 0.000 0.450 41 E N -0.642 119.656 120.200 0.163 0.000 2.204 41 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 41 E C 1.952 178.630 176.600 0.130 0.000 0.989 41 E CA 1.284 57.761 56.400 0.127 0.000 0.824 41 E CB -0.796 28.961 29.700 0.094 0.000 0.756 41 E HN 0.707 nan 8.360 nan 0.000 0.477 42 F N 0.975 120.932 119.950 0.011 0.000 2.147 42 F HA -0.249 4.278 4.527 0.000 0.000 0.301 42 F C 1.831 177.526 175.800 -0.174 0.000 1.084 42 F CA 1.568 59.508 58.000 -0.101 0.000 1.268 42 F CB -0.220 38.677 39.000 -0.173 0.000 1.009 42 F HN -0.110 nan 8.300 nan 0.000 0.486 43 F N 0.718 120.487 119.950 -0.300 0.000 2.206 43 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 43 F C 2.249 177.915 175.800 -0.224 0.000 1.090 43 F CA 1.547 59.322 58.000 -0.375 0.000 1.323 43 F CB -0.238 38.652 39.000 -0.183 0.000 1.028 43 F HN -0.023 nan 8.300 nan 0.000 0.492 44 E N -0.360 119.872 120.200 0.053 0.000 2.250 44 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 44 E C 1.469 178.061 176.600 -0.013 0.000 0.986 44 E CA 1.016 57.432 56.400 0.027 0.000 0.849 44 E CB 0.024 29.750 29.700 0.044 0.000 0.797 44 E HN 0.544 nan 8.360 nan 0.000 0.482 45 E N -0.177 120.008 120.200 -0.025 0.000 2.562 45 E HA 0.234 4.584 4.350 -0.000 0.000 0.214 45 E C 0.950 177.531 176.600 -0.032 0.000 0.979 45 E CA 0.187 56.576 56.400 -0.018 0.000 1.002 45 E CB 0.607 30.314 29.700 0.012 0.000 1.048 45 E HN 0.095 nan 8.360 nan 0.000 0.488 46 G N 1.679 110.412 108.800 -0.111 0.000 2.601 46 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.261 46 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.261 46 G C -0.554 174.416 174.900 0.117 0.000 1.289 46 G CA 0.063 45.106 45.100 -0.094 0.000 0.920 46 G HN 0.152 nan 8.290 nan 0.000 0.571 47 K N -0.841 119.651 120.400 0.153 0.000 2.395 47 K HA 0.633 4.953 4.320 -0.000 0.000 0.247 47 K C 0.030 176.718 176.600 0.148 0.000 0.973 47 K CA -1.083 55.302 56.287 0.164 0.000 0.828 47 K CB 1.597 34.203 32.500 0.177 0.000 1.272 47 K HN 0.424 nan 8.250 nan 0.000 0.439 48 M N 2.087 121.765 119.600 0.129 0.000 2.274 48 M HA 0.458 4.938 4.480 -0.000 0.000 0.344 48 M C -0.299 176.140 176.300 0.231 0.000 1.161 48 M CA -0.472 54.905 55.300 0.129 0.000 1.126 48 M CB -0.088 32.543 32.600 0.052 0.000 1.522 48 M HN 0.597 nan 8.290 nan 0.000 0.461 49 F N 0.086 120.015 119.950 -0.035 0.000 2.725 49 F HA 0.465 4.992 4.527 -0.000 0.000 0.309 49 F C -1.592 174.191 175.800 -0.029 0.000 1.132 49 F CA -1.429 56.558 58.000 -0.022 0.000 0.957 49 F CB 1.113 40.107 39.000 -0.010 0.000 1.286 49 F HN 0.555 nan 8.300 nan 0.000 0.440 50 D N 1.745 121.932 120.400 -0.356 0.000 2.280 50 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 50 D C 0.915 176.977 176.300 -0.397 0.000 1.129 50 D CA -0.081 53.679 54.000 -0.401 0.000 0.848 50 D CB 1.792 42.514 40.800 -0.129 0.000 1.107 50 D HN 0.907 nan 8.370 nan 0.000 0.471 51 G N 2.198 110.706 108.800 -0.486 0.000 2.623 51 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 51 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 51 G C 1.466 176.440 174.900 0.123 0.000 1.138 51 G CA 0.371 45.465 45.100 -0.010 0.000 0.794 51 G HN 0.549 nan 8.290 nan 0.000 0.535 52 S N 1.219 116.932 115.700 0.022 0.000 2.414 52 S HA -0.212 4.258 4.470 -0.000 0.000 0.241 52 S C 1.955 176.593 174.600 0.063 0.000 1.079 52 S CA 2.096 60.323 58.200 0.046 0.000 1.087 52 S CB -0.331 62.872 63.200 0.004 0.000 0.927 52 S HN 0.298 nan 8.310 nan 0.000 0.456 53 S N 0.840 116.575 115.700 0.058 0.000 2.667 53 S HA 0.446 4.916 4.470 -0.000 0.000 0.251 53 S C -0.007 174.608 174.600 0.025 0.000 1.075 53 S CA -0.227 57.997 58.200 0.040 0.000 1.130 53 S CB -0.362 62.860 63.200 0.036 0.000 0.795 53 S HN 0.429 nan 8.310 nan 0.000 0.462 54 I N 0.889 121.468 120.570 0.014 0.000 2.646 54 I HA 0.417 4.587 4.170 -0.000 0.000 0.299 54 I C 0.695 176.719 176.117 -0.155 0.000 1.036 54 I CA -1.193 60.036 61.300 -0.118 0.000 1.074 54 I CB 1.744 39.608 38.000 -0.225 0.000 1.258 54 I HN 0.271 nan 8.210 nan 0.000 0.430 55 G N 2.858 111.521 108.800 -0.228 0.000 2.255 55 G HA2 0.323 4.283 3.960 -0.000 0.000 0.267 55 G HA3 0.323 4.283 3.960 -0.000 0.000 0.267 55 G C 0.957 175.793 174.900 -0.107 0.000 1.177 55 G CA 0.551 45.562 45.100 -0.149 0.000 1.027 55 G HN 1.194 nan 8.290 nan 0.000 0.437 56 G N 1.760 110.594 108.800 0.057 0.000 2.225 56 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.267 56 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.267 56 G C 0.567 175.766 174.900 0.498 0.000 1.024 56 G CA 0.683 45.910 45.100 0.211 0.000 0.784 56 G HN 0.695 nan 8.290 nan 0.000 0.507 57 W N -0.038 121.346 121.300 0.140 0.000 2.714 57 W HA 0.402 5.062 4.660 -0.000 0.000 0.353 57 W C 1.330 177.916 176.519 0.111 0.000 0.999 57 W CA -1.232 56.235 57.345 0.203 0.000 1.629 57 W CB 0.072 29.671 29.460 0.233 0.000 1.106 57 W HN 0.104 nan 8.180 nan 0.000 0.545 58 K N 0.712 121.294 120.400 0.303 0.000 2.570 58 K HA 0.164 4.484 4.320 -0.000 0.000 0.274 58 K C 0.823 177.504 176.600 0.135 0.000 0.967 58 K CA 1.912 58.297 56.287 0.163 0.000 0.963 58 K CB -0.115 32.454 32.500 0.115 0.000 0.883 58 K HN 0.202 nan 8.250 nan 0.000 0.519 59 G N 2.285 111.130 108.800 0.075 0.000 2.906 59 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.235 59 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.235 59 G C -0.171 174.736 174.900 0.010 0.000 3.666 59 G CA -0.692 44.433 45.100 0.041 0.000 0.647 59 G HN 0.614 nan 8.290 nan 0.000 0.417 60 I N 0.513 121.092 120.570 0.014 0.000 3.496 60 I HA 0.106 4.276 4.170 -0.000 0.000 0.301 60 I C 0.870 176.981 176.117 -0.010 0.000 1.217 60 I CA 0.646 61.946 61.300 0.001 0.000 1.258 60 I CB -0.436 37.569 38.000 0.008 0.000 1.047 60 I HN 0.479 nan 8.210 nan 0.000 0.502 61 N N -0.555 118.135 118.700 -0.017 0.000 2.496 61 N HA -0.054 4.686 4.740 -0.000 0.000 0.262 61 N C 1.364 176.851 175.510 -0.039 0.000 0.981 61 N CA -0.037 53.000 53.050 -0.023 0.000 0.903 61 N CB 0.009 38.489 38.487 -0.012 0.000 1.737 61 N HN 0.293 nan 8.380 nan 0.000 0.715 62 E N 1.158 121.331 120.200 -0.045 0.000 2.372 62 E HA 0.078 4.428 4.350 -0.000 0.000 0.201 62 E C 0.035 176.563 176.600 -0.120 0.000 0.938 62 E CA 0.461 56.820 56.400 -0.069 0.000 0.944 62 E CB 0.016 29.685 29.700 -0.051 0.000 0.937 62 E HN 0.185 nan 8.360 nan 0.000 0.495 63 S N 1.663 117.285 115.700 -0.130 0.000 4.053 63 S HA 0.063 4.533 4.470 -0.000 0.000 0.184 63 S C -0.158 174.267 174.600 -0.291 0.000 1.324 63 S CA -0.376 57.690 58.200 -0.224 0.000 0.956 63 S CB -0.533 62.578 63.200 -0.148 0.000 1.503 63 S HN 0.071 nan 8.310 nan 0.000 0.440 64 D N 2.336 122.565 120.400 -0.285 0.000 2.485 64 D HA 0.405 5.045 4.640 -0.000 0.000 0.229 64 D C -0.358 175.722 176.300 -0.366 0.000 1.101 64 D CA -0.224 53.586 54.000 -0.316 0.000 0.906 64 D CB 0.651 41.334 40.800 -0.195 0.000 1.019 64 D HN 0.379 nan 8.370 nan 0.000 0.516 65 M N 1.021 120.284 119.600 -0.563 0.000 2.513 65 M HA 0.351 4.831 4.480 -0.000 0.000 0.291 65 M C -0.321 175.864 176.300 -0.192 0.000 1.190 65 M CA -0.775 54.257 55.300 -0.446 0.000 0.960 65 M CB 1.809 34.084 32.600 -0.542 0.000 1.517 65 M HN -0.063 nan 8.290 nan 0.000 0.499 66 V N 2.065 121.954 119.914 -0.043 0.000 2.435 66 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 66 V C -0.590 175.567 176.094 0.104 0.000 1.030 66 V CA -0.820 61.522 62.300 0.070 0.000 0.881 66 V CB 1.239 33.055 31.823 -0.010 0.000 0.983 66 V HN 0.565 nan 8.190 nan 0.000 0.445 67 L N 5.214 126.497 121.223 0.099 0.000 2.261 67 L HA 0.464 4.804 4.340 -0.000 0.000 0.289 67 L C -0.141 176.702 176.870 -0.046 0.000 1.059 67 L CA -0.226 54.586 54.840 -0.046 0.000 0.816 67 L CB 1.149 43.140 42.059 -0.114 0.000 1.191 67 L HN 0.623 nan 8.230 nan 0.000 0.431 68 M N 8.337 127.895 119.600 -0.070 0.000 2.080 68 M HA 0.408 4.888 4.480 -0.000 0.000 0.350 68 M C -2.370 173.866 176.300 -0.106 0.000 1.143 68 M CA -2.622 52.618 55.300 -0.101 0.000 1.064 68 M CB 0.766 33.324 32.600 -0.071 0.000 1.429 68 M HN 0.091 nan 8.290 nan 0.000 0.418 69 P HA 0.030 nan 4.420 nan 0.000 0.266 69 P C -0.983 176.313 177.300 -0.006 0.000 1.195 69 P CA 0.230 63.230 63.100 -0.167 0.000 0.768 69 P CB 0.497 31.835 31.700 -0.602 0.000 0.838 70 D N 2.257 122.702 120.400 0.074 0.000 2.464 70 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 70 D C 1.297 177.693 176.300 0.161 0.000 1.104 70 D CA -0.783 53.278 54.000 0.102 0.000 0.883 70 D CB 0.756 41.596 40.800 0.067 0.000 1.050 70 D HN 0.247 nan 8.370 nan 0.000 0.524 71 A N 2.941 125.891 122.820 0.217 0.000 2.009 71 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 71 A C 2.140 179.799 177.584 0.125 0.000 1.175 71 A CA 2.444 54.583 52.037 0.170 0.000 0.651 71 A CB -0.505 18.445 19.000 -0.083 0.000 0.815 71 A HN 0.616 nan 8.150 nan 0.000 0.459 72 S N -0.405 115.356 115.700 0.102 0.000 2.387 72 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 72 S C 1.914 176.580 174.600 0.110 0.000 1.026 72 S CA 1.831 60.093 58.200 0.103 0.000 0.972 72 S CB -1.497 61.744 63.200 0.068 0.000 0.814 72 S HN 0.923 nan 8.310 nan 0.000 0.477 73 T N 0.459 115.072 114.554 0.099 0.000 3.098 73 T HA 0.315 4.665 4.350 -0.000 0.000 0.266 73 T C 0.742 175.488 174.700 0.077 0.000 1.145 73 T CA 0.407 62.559 62.100 0.085 0.000 1.092 73 T CB -0.899 68.017 68.868 0.081 0.000 0.908 73 T HN 0.655 nan 8.240 nan 0.000 0.526 74 A N 0.951 123.825 122.820 0.090 0.000 2.548 74 A HA 0.536 4.856 4.320 -0.000 0.000 0.247 74 A C 0.020 177.620 177.584 0.027 0.000 1.067 74 A CA -0.239 51.832 52.037 0.057 0.000 0.757 74 A CB -0.080 18.944 19.000 0.040 0.000 0.996 74 A HN 0.808 nan 8.150 nan 0.000 0.504 75 V N 4.969 124.880 119.914 -0.006 0.000 3.023 75 V HA 0.293 4.413 4.120 -0.000 0.000 0.294 75 V C -0.745 175.294 176.094 -0.092 0.000 1.324 75 V CA -1.010 61.265 62.300 -0.041 0.000 0.979 75 V CB 1.713 33.521 31.823 -0.024 0.000 1.093 75 V HN 0.806 nan 8.190 nan 0.000 0.434 76 I N 4.128 124.604 120.570 -0.157 0.000 2.815 76 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 76 I C 0.617 176.618 176.117 -0.194 0.000 1.209 76 I CA 0.638 61.815 61.300 -0.206 0.000 1.431 76 I CB 0.265 38.056 38.000 -0.348 0.000 1.351 76 I HN 0.705 nan 8.210 nan 0.000 0.585 77 D N 8.815 129.094 120.400 -0.201 0.000 2.295 77 D HA 0.172 4.811 4.640 -0.000 0.000 0.248 77 D C -1.687 174.428 176.300 -0.309 0.000 1.154 77 D CA -1.396 52.416 54.000 -0.314 0.000 0.857 77 D CB 2.007 42.454 40.800 -0.588 0.000 1.117 77 D HN 0.302 nan 8.370 nan 0.000 0.468 78 P HA 0.061 nan 4.420 nan 0.000 0.255 78 P C 0.632 177.636 177.300 -0.493 0.000 1.248 78 P CA 0.162 62.959 63.100 -0.506 0.000 0.807 78 P CB 0.115 31.416 31.700 -0.665 0.000 1.150 79 F N -1.156 118.735 119.950 -0.099 0.000 2.553 79 F HA 0.279 4.805 4.527 -0.000 0.000 0.282 79 F C 1.507 177.410 175.800 0.172 0.000 1.089 79 F CA -0.615 57.379 58.000 -0.010 0.000 1.411 79 F CB -0.881 38.073 39.000 -0.078 0.000 1.125 79 F HN -0.280 nan 8.300 nan 0.000 0.610 80 F N 0.599 120.666 119.950 0.195 0.000 2.563 80 F HA 0.179 4.706 4.527 0.000 0.000 0.363 80 F C 1.589 177.437 175.800 0.080 0.000 1.123 80 F CA -0.422 57.645 58.000 0.111 0.000 1.307 80 F CB 0.715 39.762 39.000 0.079 0.000 1.115 80 F HN -0.001 nan 8.300 nan 0.000 0.592 81 A N 2.533 125.502 122.820 0.248 0.000 1.898 81 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 81 A C 0.162 177.835 177.584 0.149 0.000 1.181 81 A CA 0.977 53.105 52.037 0.151 0.000 0.620 81 A CB -0.580 18.475 19.000 0.091 0.000 0.819 81 A HN 0.766 nan 8.150 nan 0.000 0.442 82 D N -0.572 119.929 120.400 0.169 0.000 2.177 82 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 82 D C -0.262 176.187 176.300 0.248 0.000 1.063 82 D CA -0.178 53.949 54.000 0.211 0.000 0.867 82 D CB 1.200 42.180 40.800 0.300 0.000 1.168 82 D HN 0.022 nan 8.370 nan 0.000 0.445 83 S N 1.455 117.269 115.700 0.190 0.000 2.752 83 S HA 0.155 4.625 4.470 -0.000 0.000 0.329 83 S C -0.143 174.573 174.600 0.193 0.000 1.204 83 S CA -0.125 58.166 58.200 0.153 0.000 1.252 83 S CB -0.787 62.479 63.200 0.109 0.000 1.053 83 S HN 0.486 nan 8.310 nan 0.000 0.533 84 T N 4.322 119.003 114.554 0.211 0.000 2.863 84 T HA 0.603 4.953 4.350 -0.000 0.000 0.285 84 T C -0.791 173.973 174.700 0.108 0.000 1.009 84 T CA -0.996 61.250 62.100 0.243 0.000 0.989 84 T CB 1.242 70.362 68.868 0.420 0.000 1.004 84 T HN 0.387 nan 8.240 nan 0.000 0.455 85 L N 4.594 125.872 121.223 0.091 0.000 2.295 85 L HA 0.667 5.007 4.340 -0.000 0.000 0.285 85 L C -0.736 176.168 176.870 0.056 0.000 1.035 85 L CA -0.736 54.123 54.840 0.033 0.000 0.806 85 L CB 0.639 42.718 42.059 0.032 0.000 1.214 85 L HN 0.724 nan 8.230 nan 0.000 0.426 86 I N 5.897 126.473 120.570 0.010 0.000 2.428 86 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 86 I C -0.445 175.696 176.117 0.041 0.000 0.985 86 I CA -0.318 60.988 61.300 0.011 0.000 1.260 86 I CB 1.262 39.219 38.000 -0.071 0.000 1.389 86 I HN 0.471 nan 8.210 nan 0.000 0.484 87 I N 5.080 125.691 120.570 0.068 0.000 2.534 87 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 87 I C -0.257 175.913 176.117 0.089 0.000 1.094 87 I CA -0.626 60.731 61.300 0.095 0.000 1.055 87 I CB 1.976 40.061 38.000 0.142 0.000 1.225 87 I HN 0.545 nan 8.210 nan 0.000 0.435 88 R N 4.512 125.060 120.500 0.080 0.000 2.491 88 R HA 0.497 4.837 4.340 -0.000 0.000 0.283 88 R C -1.087 175.265 176.300 0.088 0.000 1.072 88 R CA 0.218 56.370 56.100 0.087 0.000 1.048 88 R CB 0.662 31.012 30.300 0.084 0.000 0.983 88 R HN 0.698 nan 8.270 nan 0.000 0.450 89 C N 2.246 121.610 119.300 0.107 0.000 2.719 89 C HA 0.531 4.991 4.460 -0.000 0.000 0.327 89 C C -0.858 174.159 174.990 0.044 0.000 1.238 89 C CA -0.804 58.250 59.018 0.060 0.000 1.727 89 C CB 1.921 29.689 27.740 0.046 0.000 2.256 89 C HN 0.769 nan 8.230 nan 0.000 0.489 90 D N 0.998 121.390 120.400 -0.013 0.000 2.252 90 D HA 0.419 5.059 4.640 -0.000 0.000 0.245 90 D C -0.792 175.466 176.300 -0.069 0.000 1.009 90 D CA -0.171 53.804 54.000 -0.041 0.000 0.870 90 D CB 1.668 42.438 40.800 -0.050 0.000 1.251 90 D HN 0.224 nan 8.370 nan 0.000 0.460 91 I N 2.811 123.330 120.570 -0.085 0.000 2.297 91 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 91 I C 0.325 176.390 176.117 -0.086 0.000 1.033 91 I CA -0.249 60.986 61.300 -0.110 0.000 1.253 91 I CB 0.330 38.216 38.000 -0.190 0.000 1.396 91 I HN 0.144 nan 8.210 nan 0.000 0.476 92 L N 4.321 125.494 121.223 -0.083 0.000 2.334 92 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 92 L C 0.360 177.156 176.870 -0.123 0.000 1.018 92 L CA -1.028 53.766 54.840 -0.077 0.000 0.811 92 L CB 1.508 43.531 42.059 -0.059 0.000 1.271 92 L HN 0.416 nan 8.230 nan 0.000 0.443 93 E N 3.542 123.681 120.200 -0.102 0.000 2.316 93 E HA 0.179 4.529 4.350 -0.000 0.000 0.275 93 E C -2.324 174.210 176.600 -0.110 0.000 1.029 93 E CA -1.727 54.593 56.400 -0.133 0.000 0.871 93 E CB 0.762 30.419 29.700 -0.072 0.000 1.022 93 E HN 0.133 nan 8.360 nan 0.000 0.418 94 P HA 0.021 nan 4.420 nan 0.000 0.268 94 P C 0.725 177.985 177.300 -0.066 0.000 1.204 94 P CA 0.971 64.014 63.100 -0.095 0.000 0.768 94 P CB 1.051 32.684 31.700 -0.112 0.000 0.842 95 G N 3.250 112.021 108.800 -0.048 0.000 4.754 95 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.222 95 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.222 95 G C 1.345 176.226 174.900 -0.032 0.000 1.377 95 G CA 1.169 46.247 45.100 -0.036 0.000 0.942 95 G HN 0.698 nan 8.290 nan 0.000 0.671 96 T N -0.400 114.132 114.554 -0.036 0.000 2.665 96 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 96 T C 1.669 176.351 174.700 -0.029 0.000 1.035 96 T CA 2.348 64.430 62.100 -0.030 0.000 1.151 96 T CB -0.255 68.594 68.868 -0.031 0.000 0.862 96 T HN 1.656 nan 8.240 nan 0.000 0.438 97 L N 0.997 122.198 121.223 -0.038 0.000 4.040 97 L HA -0.140 4.200 4.340 -0.000 0.000 0.410 97 L C 1.403 178.254 176.870 -0.032 0.000 1.187 97 L CA 1.302 56.120 54.840 -0.037 0.000 0.956 97 L CB -1.696 40.345 42.059 -0.030 0.000 2.022 97 L HN 0.748 nan 8.230 nan 0.000 0.897 98 Q N -0.019 119.762 119.800 -0.031 0.000 2.247 98 Q HA 0.485 4.825 4.340 -0.000 0.000 0.211 98 Q C 0.786 176.764 176.000 -0.036 0.000 0.861 98 Q CA 1.071 56.856 55.803 -0.029 0.000 0.949 98 Q CB 1.110 29.834 28.738 -0.023 0.000 1.115 98 Q HN 0.913 nan 8.270 nan 0.000 0.507 99 G N 1.515 110.293 108.800 -0.036 0.000 3.305 99 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.649 99 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.649 99 G C -1.507 173.381 174.900 -0.020 0.000 1.255 99 G CA -0.704 44.371 45.100 -0.042 0.000 1.137 99 G HN 0.194 nan 8.290 nan 0.000 0.535 100 Y N 2.635 122.814 120.300 -0.202 0.000 2.717 100 Y HA 0.165 4.715 4.550 0.000 0.000 0.330 100 Y C 1.483 177.231 175.900 -0.253 0.000 1.217 100 Y CA 0.464 58.409 58.100 -0.258 0.000 1.506 100 Y CB 0.794 39.022 38.460 -0.386 0.000 1.268 100 Y HN 0.642 nan 8.280 nan 0.000 0.561 101 D N 3.635 123.775 120.400 -0.433 0.000 2.182 101 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 101 D C 1.653 177.544 176.300 -0.683 0.000 0.986 101 D CA 1.687 55.392 54.000 -0.491 0.000 0.847 101 D CB 0.210 40.800 40.800 -0.350 0.000 0.942 101 D HN 0.580 nan 8.370 nan 0.000 0.467 102 R N -0.172 119.545 120.500 -1.304 0.000 2.334 102 R HA 0.108 4.448 4.340 -0.000 0.000 0.212 102 R C -0.178 175.771 176.300 -0.584 0.000 0.897 102 R CA -0.116 55.439 56.100 -0.909 0.000 1.056 102 R CB 0.368 30.109 30.300 -0.931 0.000 1.046 102 R HN -0.013 nan 8.270 nan 0.000 0.513 103 D N 1.076 121.121 120.400 -0.592 0.000 2.342 103 D HA 0.025 4.665 4.640 -0.000 0.000 0.260 103 D C -1.727 174.465 176.300 -0.180 0.000 1.278 103 D CA -2.176 51.678 54.000 -0.245 0.000 0.910 103 D CB 1.283 41.972 40.800 -0.185 0.000 1.079 103 D HN -0.100 nan 8.370 nan 0.000 0.496 104 P HA -0.161 nan 4.420 nan 0.000 0.217 104 P C 1.308 178.420 177.300 -0.313 0.000 1.148 104 P CA 1.002 64.049 63.100 -0.088 0.000 0.828 104 P CB 0.178 31.949 31.700 0.119 0.000 0.783 105 R N -0.761 119.438 120.500 -0.501 0.000 2.090 105 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 105 R C 2.218 178.324 176.300 -0.325 0.000 1.110 105 R CA 1.458 57.141 56.100 -0.694 0.000 0.973 105 R CB -0.474 29.452 30.300 -0.624 0.000 0.869 105 R HN 0.086 nan 8.270 nan 0.000 0.440 106 S N 0.733 116.287 115.700 -0.242 0.000 2.368 106 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 106 S C 1.847 176.326 174.600 -0.202 0.000 1.030 106 S CA 1.179 59.269 58.200 -0.183 0.000 0.999 106 S CB -0.125 62.974 63.200 -0.167 0.000 0.844 106 S HN 0.285 nan 8.310 nan 0.000 0.459 107 I N 1.633 122.037 120.570 -0.278 0.000 2.264 107 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 107 I C 2.637 178.604 176.117 -0.249 0.000 1.111 107 I CA 1.194 62.268 61.300 -0.376 0.000 1.382 107 I CB -0.527 37.116 38.000 -0.596 0.000 1.060 107 I HN 0.267 nan 8.210 nan 0.000 0.418 108 A N 0.852 123.584 122.820 -0.146 0.000 1.930 108 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 108 A C 2.329 179.919 177.584 0.009 0.000 1.175 108 A CA 1.494 53.527 52.037 -0.007 0.000 0.627 108 A CB -0.364 18.706 19.000 0.116 0.000 0.815 108 A HN 0.317 nan 8.150 nan 0.000 0.443 109 K N -0.554 119.828 120.400 -0.030 0.000 2.057 109 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 109 K C 2.316 178.920 176.600 0.007 0.000 1.050 109 K CA 1.278 57.565 56.287 0.000 0.000 0.935 109 K CB -0.183 32.303 32.500 -0.023 0.000 0.715 109 K HN 0.371 nan 8.250 nan 0.000 0.439 110 R N 0.486 120.963 120.500 -0.038 0.000 2.096 110 R HA -0.163 4.177 4.340 -0.000 0.000 0.240 110 R C 2.413 178.735 176.300 0.035 0.000 1.139 110 R CA 1.577 57.662 56.100 -0.024 0.000 0.952 110 R CB -0.508 29.732 30.300 -0.100 0.000 0.854 110 R HN 0.206 nan 8.270 nan 0.000 0.436 111 A N 1.216 124.044 122.820 0.013 0.000 1.940 111 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 111 A C 1.917 179.604 177.584 0.172 0.000 1.176 111 A CA 1.392 53.475 52.037 0.076 0.000 0.631 111 A CB -0.322 18.726 19.000 0.080 0.000 0.814 111 A HN 0.321 nan 8.150 nan 0.000 0.446 112 E N -0.245 120.040 120.200 0.142 0.000 2.150 112 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 112 E C 1.267 177.957 176.600 0.150 0.000 0.985 112 E CA 1.078 57.573 56.400 0.158 0.000 0.814 112 E CB -0.191 29.586 29.700 0.128 0.000 0.752 112 E HN 0.571 nan 8.360 nan 0.000 0.466 113 D N 0.397 120.876 120.400 0.131 0.000 2.084 113 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 113 D C 1.781 178.172 176.300 0.151 0.000 0.985 113 D CA 0.913 54.981 54.000 0.114 0.000 0.826 113 D CB -0.528 40.324 40.800 0.087 0.000 0.978 113 D HN 0.194 nan 8.370 nan 0.000 0.456 114 Y N 1.540 121.870 120.300 0.050 0.000 2.384 114 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 114 Y C 2.073 178.019 175.900 0.076 0.000 1.152 114 Y CA 0.929 59.063 58.100 0.057 0.000 1.258 114 Y CB -0.153 38.342 38.460 0.059 0.000 0.979 114 Y HN -0.040 nan 8.280 nan 0.000 0.549 115 L N 0.042 121.430 121.223 0.274 0.000 2.044 115 L HA -0.183 4.157 4.340 -0.000 0.000 0.205 115 L C 2.324 179.244 176.870 0.083 0.000 1.075 115 L CA 1.755 56.719 54.840 0.207 0.000 0.747 115 L CB -0.477 41.719 42.059 0.229 0.000 0.903 115 L HN 0.237 nan 8.230 nan 0.000 0.435 116 R N -0.560 119.984 120.500 0.074 0.000 2.115 116 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 116 R C 2.264 178.561 176.300 -0.004 0.000 1.111 116 R CA 1.135 57.259 56.100 0.040 0.000 0.976 116 R CB -0.217 30.111 30.300 0.047 0.000 0.870 116 R HN 0.464 nan 8.270 nan 0.000 0.445 117 A N 0.703 123.501 122.820 -0.036 0.000 1.877 117 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 117 A C 2.136 179.632 177.584 -0.147 0.000 1.186 117 A CA 2.017 54.000 52.037 -0.090 0.000 0.620 117 A CB -0.893 18.040 19.000 -0.112 0.000 0.822 117 A HN 0.472 nan 8.150 nan 0.000 0.443 118 T N -3.417 110.995 114.554 -0.236 0.000 3.163 118 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 118 T C 1.513 176.167 174.700 -0.077 0.000 1.156 118 T CA 1.127 63.103 62.100 -0.206 0.000 1.072 118 T CB -0.565 68.155 68.868 -0.247 0.000 0.937 118 T HN 1.711 nan 8.240 nan 0.000 0.528 119 G N 1.527 110.301 108.800 -0.043 0.000 2.216 119 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.269 119 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.269 119 G C 0.880 175.794 174.900 0.023 0.000 0.981 119 G CA 0.629 45.726 45.100 -0.004 0.000 0.658 119 G HN 0.622 nan 8.290 nan 0.000 0.539 120 I N 0.260 120.851 120.570 0.035 0.000 2.208 120 I HA 0.142 4.312 4.170 -0.000 0.000 0.245 120 I C 1.632 177.807 176.117 0.096 0.000 1.097 120 I CA 1.631 62.977 61.300 0.076 0.000 1.363 120 I CB -0.365 37.704 38.000 0.114 0.000 1.051 120 I HN 0.655 nan 8.210 nan 0.000 0.413 121 A N 0.430 123.307 122.820 0.094 0.000 2.599 121 A HA 0.401 4.721 4.320 -0.000 0.000 0.290 121 A C -0.717 176.913 177.584 0.077 0.000 1.101 121 A CA -0.268 51.823 52.037 0.090 0.000 0.674 121 A CB 0.809 19.877 19.000 0.114 0.000 1.277 121 A HN 0.192 nan 8.150 nan 0.000 0.419 122 D N -0.975 119.464 120.400 0.064 0.000 2.407 122 D HA 0.263 4.903 4.640 -0.000 0.000 0.208 122 D C 0.330 176.672 176.300 0.070 0.000 1.083 122 D CA 1.038 55.075 54.000 0.061 0.000 0.844 122 D CB 0.381 41.209 40.800 0.047 0.000 0.967 122 D HN 0.765 nan 8.370 nan 0.000 0.506 123 T N -2.141 112.456 114.554 0.072 0.000 3.012 123 T HA 0.556 4.906 4.350 -0.000 0.000 0.330 123 T C -0.801 173.942 174.700 0.071 0.000 1.321 123 T CA -0.966 61.184 62.100 0.083 0.000 1.067 123 T CB 1.707 70.620 68.868 0.076 0.000 1.235 123 T HN -0.087 nan 8.240 nan 0.000 0.479 124 V N 2.573 122.558 119.914 0.120 0.000 2.532 124 V HA 0.670 4.790 4.120 -0.000 0.000 0.295 124 V C -0.729 175.440 176.094 0.125 0.000 1.041 124 V CA -0.952 61.416 62.300 0.114 0.000 0.926 124 V CB 1.340 33.339 31.823 0.294 0.000 0.992 124 V HN 0.772 nan 8.190 nan 0.000 0.457 125 L N 4.566 125.753 121.223 -0.059 0.000 2.333 125 L HA 0.632 4.972 4.340 -0.000 0.000 0.280 125 L C -0.785 175.988 176.870 -0.161 0.000 1.004 125 L CA -0.259 54.568 54.840 -0.022 0.000 0.820 125 L CB 1.126 43.068 42.059 -0.195 0.000 1.247 125 L HN 0.482 nan 8.230 nan 0.000 0.416 126 F N 1.143 121.057 119.950 -0.059 0.000 2.507 126 F HA 0.717 5.244 4.527 0.000 0.000 0.325 126 F C 0.675 176.446 175.800 -0.049 0.000 1.116 126 F CA -0.682 57.205 58.000 -0.188 0.000 0.930 126 F CB 2.489 41.195 39.000 -0.490 0.000 1.146 126 F HN 0.450 nan 8.300 nan 0.000 0.447 127 G N 4.265 113.107 108.800 0.069 0.000 3.171 127 G HA2 0.589 4.549 3.960 -0.000 0.000 0.305 127 G HA3 0.589 4.549 3.960 -0.000 0.000 0.305 127 G C -3.369 171.509 174.900 -0.036 0.000 1.584 127 G CA -1.481 43.663 45.100 0.074 0.000 1.070 127 G HN 0.220 nan 8.290 nan 0.000 0.535 128 P HA 0.420 nan 4.420 nan 0.000 0.290 128 P C -0.590 176.643 177.300 -0.112 0.000 1.275 128 P CA -0.551 62.530 63.100 -0.032 0.000 0.841 128 P CB 1.948 33.690 31.700 0.070 0.000 1.042 129 E N 2.782 122.906 120.200 -0.126 0.000 2.546 129 E HA 0.263 4.613 4.350 -0.000 0.000 0.227 129 E C -2.294 174.208 176.600 -0.163 0.000 1.009 129 E CA -1.892 54.411 56.400 -0.161 0.000 0.813 129 E CB 0.539 30.122 29.700 -0.195 0.000 1.269 129 E HN 0.342 nan 8.360 nan 0.000 0.432 130 P HA 0.130 nan 4.420 nan 0.000 0.288 130 P C -0.577 176.833 177.300 0.183 0.000 1.363 130 P CA -0.232 62.847 63.100 -0.034 0.000 0.837 130 P CB 0.782 32.343 31.700 -0.232 0.000 0.981 131 E N 2.892 123.158 120.200 0.109 0.000 2.314 131 E HA 0.619 4.969 4.350 -0.000 0.000 0.262 131 E C -0.221 176.461 176.600 0.138 0.000 1.093 131 E CA -0.399 55.988 56.400 -0.022 0.000 0.908 131 E CB 0.571 30.168 29.700 -0.173 0.000 1.091 131 E HN 0.449 nan 8.360 nan 0.000 0.425 132 F N -1.444 118.353 119.950 -0.255 0.000 2.817 132 F HA 0.591 5.119 4.527 0.000 0.000 0.317 132 F C -1.660 173.830 175.800 -0.516 0.000 1.168 132 F CA -1.274 56.480 58.000 -0.409 0.000 0.911 132 F CB 0.864 39.345 39.000 -0.864 0.000 1.337 132 F HN 0.238 nan 8.300 nan 0.000 0.464 133 F N 1.226 121.082 119.950 -0.157 0.000 2.561 133 F HA 0.759 5.286 4.527 -0.000 0.000 0.321 133 F C -0.741 174.733 175.800 -0.545 0.000 1.065 133 F CA -0.959 56.794 58.000 -0.412 0.000 0.934 133 F CB 2.250 40.880 39.000 -0.616 0.000 1.215 133 F HN 0.355 nan 8.300 nan 0.000 0.471 134 L N 3.416 124.421 121.223 -0.364 0.000 2.372 134 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 134 L C -1.121 175.604 176.870 -0.241 0.000 0.989 134 L CA -0.284 54.383 54.840 -0.288 0.000 0.841 134 L CB 0.954 42.959 42.059 -0.091 0.000 1.225 134 L HN 0.533 nan 8.230 nan 0.000 0.414 135 F N 0.999 121.038 119.950 0.148 0.000 2.525 135 F HA 0.423 4.950 4.527 -0.000 0.000 0.346 135 F C 0.901 176.767 175.800 0.109 0.000 1.072 135 F CA -0.785 57.300 58.000 0.141 0.000 1.033 135 F CB 1.453 40.542 39.000 0.147 0.000 1.324 135 F HN 0.360 nan 8.300 nan 0.000 0.491 136 D N -0.806 119.798 120.400 0.341 0.000 2.470 136 D HA 0.065 4.705 4.640 -0.000 0.000 0.238 136 D C -0.726 175.679 176.300 0.176 0.000 1.054 136 D CA 0.839 54.962 54.000 0.204 0.000 0.896 136 D CB 0.509 41.416 40.800 0.178 0.000 1.118 136 D HN 0.529 nan 8.370 nan 0.000 0.497 137 D N -0.302 120.217 120.400 0.198 0.000 2.977 137 D HA 0.386 5.026 4.640 -0.000 0.000 0.220 137 D C -1.797 174.568 176.300 0.108 0.000 1.267 137 D CA -0.651 53.427 54.000 0.130 0.000 0.884 137 D CB 1.933 42.787 40.800 0.090 0.000 1.667 137 D HN -0.207 nan 8.370 nan 0.000 0.536 138 I N 2.850 123.478 120.570 0.097 0.000 2.512 138 I HA 0.533 4.703 4.170 -0.000 0.000 0.287 138 I C -1.541 174.598 176.117 0.036 0.000 1.069 138 I CA -0.252 61.101 61.300 0.089 0.000 1.056 138 I CB 1.235 39.357 38.000 0.204 0.000 1.229 138 I HN 0.488 nan 8.210 nan 0.000 0.429 139 R N 6.977 127.489 120.500 0.021 0.000 2.744 139 R HA 0.858 5.198 4.340 -0.000 0.000 0.279 139 R C -1.599 174.681 176.300 -0.034 0.000 0.977 139 R CA -0.693 55.347 56.100 -0.100 0.000 0.906 139 R CB 2.263 32.554 30.300 -0.015 0.000 1.197 139 R HN 0.574 nan 8.270 nan 0.000 0.463 140 F N -1.841 118.007 119.950 -0.171 0.000 2.807 140 F HA 0.812 5.339 4.527 0.000 0.000 0.316 140 F C -0.844 174.639 175.800 -0.529 0.000 1.162 140 F CA -0.975 56.719 58.000 -0.509 0.000 0.910 140 F CB 1.385 40.211 39.000 -0.289 0.000 1.314 140 F HN 0.731 nan 8.300 nan 0.000 0.454 141 G N -0.183 108.399 108.800 -0.363 0.000 2.355 141 G HA2 0.764 4.724 3.960 -0.000 0.000 0.296 141 G HA3 0.764 4.724 3.960 -0.000 0.000 0.296 141 G C -2.519 172.358 174.900 -0.039 0.000 1.507 141 G CA -0.274 44.773 45.100 -0.087 0.000 0.823 141 G HN 1.800 nan 8.290 nan 0.000 0.569 142 A N -0.271 122.574 122.820 0.041 0.000 2.427 142 A HA 0.988 5.308 4.320 -0.000 0.000 0.298 142 A C -0.150 177.463 177.584 0.049 0.000 1.036 142 A CA 0.288 52.351 52.037 0.044 0.000 0.701 142 A CB 1.692 20.710 19.000 0.031 0.000 1.250 142 A HN 2.301 nan 8.150 nan 0.000 0.412 143 S N 1.652 117.380 115.700 0.048 0.000 2.720 143 S HA 0.550 5.020 4.470 -0.000 0.000 0.287 143 S C 0.908 175.530 174.600 0.037 0.000 1.168 143 S CA 0.018 58.241 58.200 0.038 0.000 0.832 143 S CB 0.811 64.031 63.200 0.034 0.000 1.166 143 S HN 1.411 nan 8.310 nan 0.000 0.493 144 I N 1.782 122.371 120.570 0.033 0.000 2.286 144 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 144 I C 1.987 178.127 176.117 0.038 0.000 1.115 144 I CA 2.245 63.568 61.300 0.038 0.000 1.392 144 I CB -0.301 37.718 38.000 0.032 0.000 1.065 144 I HN 0.819 nan 8.210 nan 0.000 0.418 145 S N -0.211 115.502 115.700 0.021 0.000 2.561 145 S HA 0.376 4.846 4.470 -0.000 0.000 0.225 145 S C 0.760 175.342 174.600 -0.029 0.000 0.977 145 S CA 0.154 58.355 58.200 0.002 0.000 0.926 145 S CB 0.053 63.247 63.200 -0.010 0.000 0.769 145 S HN 0.708 nan 8.310 nan 0.000 0.533 146 G N 0.075 108.868 108.800 -0.012 0.000 2.323 146 G HA2 0.471 4.431 3.960 -0.000 0.000 0.291 146 G HA3 0.471 4.431 3.960 -0.000 0.000 0.291 146 G C -1.361 173.552 174.900 0.021 0.000 1.278 146 G CA -0.241 44.834 45.100 -0.042 0.000 0.860 146 G HN 1.078 nan 8.290 nan 0.000 0.504 147 S N -0.799 114.918 115.700 0.029 0.000 2.587 147 S HA 0.885 5.355 4.470 -0.000 0.000 0.269 147 S C -1.039 173.634 174.600 0.120 0.000 1.154 147 S CA -0.010 58.233 58.200 0.071 0.000 0.824 147 S CB 2.272 65.477 63.200 0.008 0.000 1.118 147 S HN 2.404 nan 8.310 nan 0.000 0.462 148 H N -1.488 117.563 119.070 -0.032 0.000 2.904 148 H HA 0.795 5.351 4.556 -0.000 0.000 0.290 148 H C -2.129 173.208 175.328 0.015 0.000 1.437 148 H CA -0.704 55.318 56.048 -0.044 0.000 1.147 148 H CB 0.840 30.567 29.762 -0.058 0.000 1.824 148 H HN 1.253 nan 8.280 nan 0.000 0.505 149 V N 0.165 120.071 119.914 -0.013 0.000 2.969 149 V HA 0.771 4.891 4.120 -0.000 0.000 0.304 149 V C -1.516 174.587 176.094 0.014 0.000 1.192 149 V CA 0.196 62.487 62.300 -0.015 0.000 0.962 149 V CB 1.451 33.236 31.823 -0.063 0.000 1.045 149 V HN 1.407 nan 8.190 nan 0.000 0.428 150 A N 7.300 130.129 122.820 0.015 0.000 2.402 150 A HA 0.869 5.189 4.320 -0.000 0.000 0.291 150 A C -1.150 176.363 177.584 -0.117 0.000 1.051 150 A CA -0.476 51.522 52.037 -0.064 0.000 0.716 150 A CB 1.121 20.116 19.000 -0.010 0.000 1.223 150 A HN 0.861 nan 8.150 nan 0.000 0.425 151 I N 1.425 121.847 120.570 -0.247 0.000 2.525 151 I HA 0.594 4.764 4.170 -0.000 0.000 0.301 151 I C -0.848 175.209 176.117 -0.100 0.000 0.992 151 I CA -0.585 60.526 61.300 -0.315 0.000 1.162 151 I CB 2.157 39.813 38.000 -0.573 0.000 1.332 151 I HN 0.557 nan 8.210 nan 0.000 0.458 152 D N 3.077 123.514 120.400 0.062 0.000 2.937 152 D HA 0.393 5.033 4.640 -0.000 0.000 0.215 152 D C -1.884 174.624 176.300 0.347 0.000 1.274 152 D CA -0.249 53.973 54.000 0.371 0.000 0.869 152 D CB 2.495 43.462 40.800 0.278 0.000 1.675 152 D HN 0.526 nan 8.370 nan 0.000 0.538 153 D N 1.718 122.331 120.400 0.356 0.000 2.596 153 D HA 0.260 4.900 4.640 -0.000 0.000 0.234 153 D C 0.688 177.043 176.300 0.092 0.000 1.181 153 D CA -0.648 53.503 54.000 0.252 0.000 0.856 153 D CB 1.858 42.858 40.800 0.333 0.000 1.498 153 D HN 0.235 nan 8.370 nan 0.000 0.446 154 I N 1.396 122.024 120.570 0.097 0.000 2.454 154 I HA -0.084 4.086 4.170 -0.000 0.000 0.254 154 I C 1.370 177.447 176.117 -0.066 0.000 1.156 154 I CA 1.684 63.009 61.300 0.042 0.000 1.433 154 I CB 0.037 38.054 38.000 0.028 0.000 1.082 154 I HN 0.476 nan 8.210 nan 0.000 0.432 155 E N 0.437 120.599 120.200 -0.062 0.000 2.371 155 E HA 0.084 4.434 4.350 -0.000 0.000 0.194 155 E C 1.203 177.642 176.600 -0.269 0.000 1.012 155 E CA 0.353 56.691 56.400 -0.103 0.000 0.860 155 E CB -0.238 29.456 29.700 -0.010 0.000 0.811 155 E HN 0.576 nan 8.360 nan 0.000 0.502 156 G N 1.059 109.538 108.800 -0.535 0.000 2.202 156 G HA2 0.046 4.006 3.960 -0.000 0.000 0.251 156 G HA3 0.046 4.006 3.960 -0.000 0.000 0.251 156 G C 1.002 175.282 174.900 -1.033 0.000 1.219 156 G CA 0.406 44.696 45.100 -1.349 0.000 0.943 156 G HN 0.190 nan 8.290 nan 0.000 0.465 157 A N 3.292 125.768 122.820 -0.573 0.000 1.986 157 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 157 A C 1.993 179.524 177.584 -0.088 0.000 1.171 157 A CA 1.952 53.872 52.037 -0.195 0.000 0.640 157 A CB -0.663 18.339 19.000 0.004 0.000 0.811 157 A HN 1.167 nan 8.150 nan 0.000 0.451 158 W N 0.008 121.345 121.300 0.062 0.000 2.421 158 W HA -0.055 4.605 4.660 -0.000 0.000 0.270 158 W C 0.950 177.505 176.519 0.061 0.000 1.233 158 W CA 0.781 58.157 57.345 0.052 0.000 1.226 158 W CB -0.744 28.739 29.460 0.040 0.000 1.121 158 W HN 0.183 nan 8.180 nan 0.000 0.579 159 N N 1.097 119.712 118.700 -0.142 0.000 2.521 159 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 159 N C 1.707 177.258 175.510 0.068 0.000 1.146 159 N CA 1.297 54.361 53.050 0.024 0.000 0.893 159 N CB -0.381 38.103 38.487 -0.005 0.000 0.975 159 N HN 0.453 nan 8.380 nan 0.000 0.451 160 S N -0.432 115.282 115.700 0.024 0.000 2.419 160 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 160 S C 1.965 176.595 174.600 0.049 0.000 1.016 160 S CA 1.351 59.562 58.200 0.018 0.000 0.974 160 S CB -0.295 62.914 63.200 0.014 0.000 0.786 160 S HN 0.380 nan 8.310 nan 0.000 0.492 161 S N 0.193 115.940 115.700 0.079 0.000 2.492 161 S HA 0.144 4.614 4.470 -0.000 0.000 0.218 161 S C 0.744 175.395 174.600 0.084 0.000 1.016 161 S CA -0.129 58.116 58.200 0.075 0.000 0.916 161 S CB -0.823 62.423 63.200 0.076 0.000 0.791 161 S HN 0.370 nan 8.310 nan 0.000 0.513 162 T N 3.803 118.426 114.554 0.115 0.000 2.934 162 T HA 0.141 4.491 4.350 -0.000 0.000 0.306 162 T C -0.076 174.680 174.700 0.094 0.000 1.042 162 T CA 0.329 62.475 62.100 0.077 0.000 1.145 162 T CB 0.328 69.240 68.868 0.074 0.000 0.982 162 T HN 0.312 nan 8.240 nan 0.000 0.544 163 K N 2.656 123.048 120.400 -0.014 0.000 2.205 163 K HA 0.342 4.662 4.320 -0.000 0.000 0.279 163 K C -0.861 175.697 176.600 -0.070 0.000 1.027 163 K CA -0.264 56.035 56.287 0.021 0.000 0.932 163 K CB 0.808 33.307 32.500 -0.003 0.000 1.032 163 K HN 0.560 nan 8.250 nan 0.000 0.466 164 Y N 0.638 120.938 120.300 0.000 0.000 2.562 164 Y HA 0.043 4.593 4.550 -0.000 0.000 0.343 164 Y C 1.517 177.417 175.900 -0.001 0.000 1.025 164 Y CA -0.642 57.459 58.100 0.001 0.000 1.082 164 Y CB 1.524 39.982 38.460 -0.003 0.000 1.264 164 Y HN 0.618 nan 8.280 nan 0.000 0.478 165 E N 1.745 122.037 120.200 0.153 0.000 2.048 165 E HA -0.173 4.177 4.350 -0.000 0.000 0.202 165 E C 1.450 178.099 176.600 0.081 0.000 1.021 165 E CA 1.753 58.205 56.400 0.086 0.000 0.825 165 E CB -0.384 29.360 29.700 0.074 0.000 0.756 165 E HN 0.913 nan 8.360 nan 0.000 0.454 166 G N -0.581 108.275 108.800 0.094 0.000 3.609 166 G HA2 0.425 4.385 3.960 -0.000 0.000 0.280 166 G HA3 0.425 4.385 3.960 -0.000 0.000 0.280 166 G C 0.159 175.087 174.900 0.047 0.000 1.155 166 G CA 0.382 45.515 45.100 0.054 0.000 0.876 166 G HN 0.492 nan 8.290 nan 0.000 0.535 167 G N 0.171 109.019 108.800 0.080 0.000 2.719 167 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 167 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 167 G C -0.642 174.276 174.900 0.030 0.000 1.201 167 G CA -0.690 44.444 45.100 0.057 0.000 0.768 167 G HN 0.498 nan 8.290 nan 0.000 0.629 168 N N 0.788 119.506 118.700 0.029 0.000 2.408 168 N HA 0.275 5.015 4.740 -0.000 0.000 0.257 168 N C 1.177 176.599 175.510 -0.147 0.000 1.064 168 N CA -0.556 52.447 53.050 -0.078 0.000 0.952 168 N CB 0.904 39.432 38.487 0.068 0.000 1.093 168 N HN 0.438 nan 8.380 nan 0.000 0.490 169 K N 2.408 122.669 120.400 -0.231 0.000 2.444 169 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 169 K C 1.078 177.498 176.600 -0.300 0.000 1.024 169 K CA 0.258 56.426 56.287 -0.199 0.000 1.077 169 K CB -0.506 31.906 32.500 -0.147 0.000 0.833 169 K HN 0.795 nan 8.250 nan 0.000 0.517 170 G N 2.374 111.006 108.800 -0.281 0.000 2.291 170 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.287 170 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.287 170 G C -0.116 174.587 174.900 -0.329 0.000 0.998 170 G CA 0.617 45.548 45.100 -0.282 0.000 0.728 170 G HN 0.459 nan 8.290 nan 0.000 0.519 171 H N 0.515 119.538 119.070 -0.077 0.000 2.914 171 H HA 0.401 4.957 4.556 -0.000 0.000 0.264 171 H C 0.994 176.280 175.328 -0.071 0.000 1.433 171 H CA 0.024 56.035 56.048 -0.062 0.000 1.342 171 H CB 0.195 29.927 29.762 -0.050 0.000 1.582 171 H HN 0.428 nan 8.280 nan 0.000 0.525 172 R N 2.356 122.865 120.500 0.015 0.000 2.778 172 R HA 0.392 4.732 4.340 -0.000 0.000 0.277 172 R C -2.553 173.728 176.300 -0.031 0.000 0.977 172 R CA -1.842 54.237 56.100 -0.034 0.000 0.950 172 R CB 1.530 31.776 30.300 -0.091 0.000 1.165 172 R HN 0.296 nan 8.270 nan 0.000 0.474 173 P HA 0.278 nan 4.420 nan 0.000 0.274 173 P C -0.501 176.777 177.300 -0.036 0.000 1.246 173 P CA -0.281 62.784 63.100 -0.059 0.000 0.795 173 P CB 1.006 32.673 31.700 -0.055 0.000 1.006 174 G N -1.006 107.742 108.800 -0.086 0.000 2.815 174 G HA2 0.320 4.280 3.960 -0.000 0.000 0.305 174 G HA3 0.320 4.280 3.960 -0.000 0.000 0.305 174 G C -1.054 173.843 174.900 -0.005 0.000 1.277 174 G CA -0.584 44.497 45.100 -0.032 0.000 0.795 174 G HN 0.379 nan 8.290 nan 0.000 0.528 175 V N 2.022 121.959 119.914 0.037 0.000 2.621 175 V HA 0.049 4.169 4.120 -0.000 0.000 0.300 175 V C 0.940 177.061 176.094 0.045 0.000 1.031 175 V CA 1.902 64.243 62.300 0.068 0.000 1.210 175 V CB -0.024 31.842 31.823 0.073 0.000 0.864 175 V HN 0.872 nan 8.190 nan 0.000 0.477 176 K N 3.201 123.649 120.400 0.080 0.000 3.467 176 K HA -0.201 4.119 4.320 -0.000 0.000 0.309 176 K C 1.230 177.829 176.600 -0.002 0.000 1.350 176 K CA 0.656 56.988 56.287 0.074 0.000 0.934 176 K CB -2.078 30.448 32.500 0.044 0.000 1.312 176 K HN 1.359 nan 8.250 nan 0.000 0.461 177 G N 1.310 110.053 108.800 -0.096 0.000 2.414 177 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.340 177 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.340 177 G C 0.808 175.354 174.900 -0.590 0.000 0.922 177 G CA 1.489 46.308 45.100 -0.469 0.000 0.725 177 G HN 1.218 nan 8.290 nan 0.000 0.516 178 G N -1.172 107.478 108.800 -0.249 0.000 2.318 178 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 178 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 178 G C 0.111 174.846 174.900 -0.275 0.000 0.329 178 G CA 0.481 45.474 45.100 -0.179 0.000 1.034 178 G HN 0.667 nan 8.290 nan 0.000 0.438 179 Y N 0.576 120.795 120.300 -0.135 0.000 2.316 179 Y HA 0.489 5.039 4.550 -0.000 0.000 0.324 179 Y C 1.626 177.472 175.900 -0.089 0.000 1.267 179 Y CA -0.117 57.910 58.100 -0.123 0.000 1.311 179 Y CB 0.643 38.937 38.460 -0.277 0.000 1.267 179 Y HN 0.592 nan 8.280 nan 0.000 0.516 180 F N -1.148 118.998 119.950 0.328 0.000 3.043 180 F HA -0.198 4.329 4.527 0.000 0.000 0.290 180 F C -2.413 173.440 175.800 0.088 0.000 0.844 180 F CA -1.028 57.076 58.000 0.173 0.000 1.184 180 F CB -1.695 37.333 39.000 0.047 0.000 1.246 180 F HN 0.278 nan 8.300 nan 0.000 0.536 181 P HA 0.143 nan 4.420 nan 0.000 0.269 181 P C -0.012 177.359 177.300 0.119 0.000 1.209 181 P CA 0.086 63.194 63.100 0.014 0.000 0.776 181 P CB 0.867 32.509 31.700 -0.096 0.000 0.876 182 V N 1.548 121.508 119.914 0.076 0.000 2.775 182 V HA 0.307 4.426 4.120 -0.000 0.000 0.299 182 V C -2.250 173.865 176.094 0.035 0.000 1.062 182 V CA -2.212 60.133 62.300 0.075 0.000 1.063 182 V CB -0.516 31.328 31.823 0.036 0.000 0.994 182 V HN 0.423 nan 8.190 nan 0.000 0.483 183 P HA 0.119 nan 4.420 nan 0.000 0.269 183 P C -1.867 175.408 177.300 -0.042 0.000 1.211 183 P CA -0.731 62.372 63.100 0.005 0.000 0.781 183 P CB -0.070 31.637 31.700 0.012 0.000 0.877 184 P HA -0.020 nan 4.420 nan 0.000 0.245 184 P C 0.916 178.217 177.300 0.002 0.000 1.212 184 P CA 0.505 63.591 63.100 -0.023 0.000 0.774 184 P CB 0.025 31.726 31.700 0.001 0.000 0.999 185 V N 0.685 120.586 119.914 -0.023 0.000 2.407 185 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 185 V C 1.247 177.348 176.094 0.011 0.000 1.055 185 V CA 1.913 64.215 62.300 0.005 0.000 1.049 185 V CB -1.223 30.583 31.823 -0.027 0.000 0.662 185 V HN 0.209 nan 8.190 nan 0.000 0.455 186 D N 0.162 120.578 120.400 0.028 0.000 2.441 186 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 186 D C 1.254 177.556 176.300 0.003 0.000 1.156 186 D CA 0.451 54.482 54.000 0.052 0.000 0.896 186 D CB 0.845 41.725 40.800 0.133 0.000 1.028 186 D HN 0.299 nan 8.370 nan 0.000 0.509 187 S N 2.263 117.960 115.700 -0.004 0.000 2.727 187 S HA 0.084 4.554 4.470 -0.000 0.000 0.226 187 S C 1.079 175.657 174.600 -0.037 0.000 0.963 187 S CA 0.126 58.319 58.200 -0.012 0.000 0.950 187 S CB -0.007 63.191 63.200 -0.003 0.000 0.779 187 S HN 0.397 nan 8.310 nan 0.000 0.532 188 A N -0.052 122.711 122.820 -0.094 0.000 2.616 188 A HA 0.413 4.733 4.320 -0.000 0.000 0.294 188 A C 1.679 179.124 177.584 -0.233 0.000 1.091 188 A CA -0.476 51.467 52.037 -0.158 0.000 0.971 188 A CB 0.071 18.953 19.000 -0.196 0.000 1.222 188 A HN 0.306 nan 8.150 nan 0.000 0.521 189 Q N 0.821 120.529 119.800 -0.154 0.000 1.967 189 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 189 Q C 0.892 176.828 176.000 -0.107 0.000 0.985 189 Q CA 2.017 57.754 55.803 -0.109 0.000 0.839 189 Q CB -0.177 28.568 28.738 0.012 0.000 0.906 189 Q HN 0.646 nan 8.270 nan 0.000 0.423 190 D N 0.303 120.686 120.400 -0.029 0.000 2.158 190 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 190 D C 2.008 178.280 176.300 -0.047 0.000 0.995 190 D CA 0.966 54.982 54.000 0.027 0.000 0.846 190 D CB -0.258 40.611 40.800 0.115 0.000 0.941 190 D HN 0.331 nan 8.370 nan 0.000 0.456 191 I N 0.381 120.834 120.570 -0.194 0.000 2.133 191 I HA -0.216 3.954 4.170 -0.000 0.000 0.238 191 I C 2.539 178.376 176.117 -0.468 0.000 1.074 191 I CA 0.935 61.904 61.300 -0.552 0.000 1.342 191 I CB -0.408 37.285 38.000 -0.511 0.000 1.053 191 I HN -0.114 nan 8.210 nan 0.000 0.404 192 R N 0.945 121.178 120.500 -0.445 0.000 2.096 192 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 192 R C 2.567 178.585 176.300 -0.469 0.000 1.139 192 R CA 1.858 57.634 56.100 -0.540 0.000 0.952 192 R CB -0.570 29.187 30.300 -0.906 0.000 0.854 192 R HN 0.294 nan 8.270 nan 0.000 0.436 193 S N 0.625 116.098 115.700 -0.378 0.000 2.402 193 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 193 S C 1.722 176.292 174.600 -0.051 0.000 1.030 193 S CA 1.124 59.286 58.200 -0.064 0.000 1.003 193 S CB -0.128 63.114 63.200 0.071 0.000 0.813 193 S HN 0.289 nan 8.310 nan 0.000 0.477 194 E N 1.185 121.326 120.200 -0.099 0.000 2.028 194 E HA -0.055 4.294 4.350 -0.000 0.000 0.191 194 E C 2.115 178.666 176.600 -0.082 0.000 0.988 194 E CA 0.946 57.316 56.400 -0.050 0.000 0.799 194 E CB -0.365 29.316 29.700 -0.032 0.000 0.755 194 E HN 0.551 nan 8.360 nan 0.000 0.447 195 M N 0.043 119.543 119.600 -0.167 0.000 2.108 195 M HA -0.260 4.220 4.480 -0.000 0.000 0.257 195 M C 2.664 178.902 176.300 -0.103 0.000 1.071 195 M CA 1.384 56.586 55.300 -0.163 0.000 1.093 195 M CB -0.749 31.704 32.600 -0.245 0.000 1.345 195 M HN 0.169 nan 8.290 nan 0.000 0.403 196 C N 0.648 119.908 119.300 -0.065 0.000 2.455 196 C HA -0.124 4.336 4.460 -0.000 0.000 0.281 196 C C 2.731 177.722 174.990 0.002 0.000 1.237 196 C CA 0.690 59.711 59.018 0.005 0.000 1.726 196 C CB -1.146 26.645 27.740 0.085 0.000 2.068 196 C HN 0.541 nan 8.230 nan 0.000 0.466 197 L N 0.684 121.909 121.223 0.003 0.000 1.997 197 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 197 L C 2.559 179.416 176.870 -0.022 0.000 1.074 197 L CA 1.592 56.431 54.840 0.000 0.000 0.763 197 L CB -1.093 40.969 42.059 0.005 0.000 0.890 197 L HN 0.251 nan 8.230 nan 0.000 0.434 198 V N -0.472 119.417 119.914 -0.042 0.000 2.255 198 V HA -0.350 3.770 4.120 -0.000 0.000 0.247 198 V C 2.525 178.581 176.094 -0.063 0.000 1.051 198 V CA 2.233 64.484 62.300 -0.081 0.000 1.018 198 V CB -0.468 31.294 31.823 -0.102 0.000 0.641 198 V HN 0.388 nan 8.190 nan 0.000 0.445 199 M N -0.604 118.972 119.600 -0.040 0.000 2.108 199 M HA -0.270 4.210 4.480 -0.000 0.000 0.257 199 M C 2.248 178.550 176.300 0.003 0.000 1.071 199 M CA 2.049 57.343 55.300 -0.010 0.000 1.093 199 M CB -0.592 32.008 32.600 0.000 0.000 1.345 199 M HN 0.425 nan 8.290 nan 0.000 0.403 200 E N -0.059 120.142 120.200 0.001 0.000 2.072 200 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 200 E C 1.979 178.576 176.600 -0.005 0.000 0.985 200 E CA 1.201 57.603 56.400 0.005 0.000 0.801 200 E CB -0.259 29.446 29.700 0.008 0.000 0.750 200 E HN 0.648 nan 8.360 nan 0.000 0.452 201 Q N -0.054 119.734 119.800 -0.020 0.000 2.234 201 Q HA -0.061 4.279 4.340 -0.000 0.000 0.206 201 Q C 1.518 177.498 176.000 -0.033 0.000 0.980 201 Q CA 0.936 56.721 55.803 -0.029 0.000 0.869 201 Q CB -0.040 28.664 28.738 -0.057 0.000 0.912 201 Q HN 0.276 nan 8.270 nan 0.000 0.436 202 M N -0.852 118.728 119.600 -0.034 0.000 2.551 202 M HA 0.170 4.650 4.480 -0.000 0.000 0.252 202 M C 0.595 176.897 176.300 0.003 0.000 1.219 202 M CA 0.367 55.652 55.300 -0.025 0.000 0.978 202 M CB 0.711 33.297 32.600 -0.023 0.000 1.533 202 M HN 0.443 nan 8.290 nan 0.000 0.474 203 G N 0.479 109.283 108.800 0.007 0.000 2.268 203 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 203 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 203 G C 0.013 174.921 174.900 0.013 0.000 1.010 203 G CA -0.335 44.774 45.100 0.014 0.000 0.618 203 G HN 0.338 nan 8.290 nan 0.000 0.516 204 L N 0.575 121.812 121.223 0.023 0.000 2.472 204 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 204 L C 0.793 177.673 176.870 0.017 0.000 1.209 204 L CA -0.074 54.784 54.840 0.030 0.000 0.817 204 L CB 1.328 43.430 42.059 0.072 0.000 1.106 204 L HN 0.035 nan 8.230 nan 0.000 0.479 205 V N 2.165 122.084 119.914 0.007 0.000 2.407 205 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 205 V C -0.482 175.626 176.094 0.023 0.000 1.018 205 V CA -0.759 61.540 62.300 -0.002 0.000 0.842 205 V CB 1.826 33.624 31.823 -0.041 0.000 0.996 205 V HN 0.400 nan 8.190 nan 0.000 0.426 206 V N 5.028 124.965 119.914 0.038 0.000 2.432 206 V HA 0.275 4.395 4.120 -0.000 0.000 0.271 206 V C 0.997 177.118 176.094 0.046 0.000 1.046 206 V CA -0.076 62.261 62.300 0.062 0.000 0.945 206 V CB 1.195 33.062 31.823 0.074 0.000 0.992 206 V HN 0.958 nan 8.190 nan 0.000 0.471 207 E N 3.082 123.314 120.200 0.054 0.000 2.276 207 E HA 0.458 4.808 4.350 -0.000 0.000 0.193 207 E C 0.544 177.159 176.600 0.026 0.000 0.983 207 E CA 0.838 57.261 56.400 0.039 0.000 0.861 207 E CB 0.742 30.471 29.700 0.049 0.000 0.817 207 E HN 0.868 nan 8.360 nan 0.000 0.485 208 A N 0.494 123.343 122.820 0.049 0.000 2.441 208 A HA 0.429 4.749 4.320 -0.000 0.000 0.295 208 A C -1.860 175.792 177.584 0.114 0.000 0.992 208 A CA -0.865 51.182 52.037 0.017 0.000 0.603 208 A CB 0.600 19.593 19.000 -0.011 0.000 1.385 208 A HN 0.313 nan 8.150 nan 0.000 0.470 209 H N 0.091 119.186 119.070 0.043 0.000 2.996 209 H HA 0.887 5.443 4.556 0.000 0.000 0.368 209 H C -1.097 174.245 175.328 0.022 0.000 1.185 209 H CA -0.177 55.895 56.048 0.041 0.000 1.160 209 H CB 1.379 31.169 29.762 0.048 0.000 1.820 209 H HN 1.123 nan 8.280 nan 0.000 0.547 210 H N 2.421 121.670 119.070 0.298 0.000 3.029 210 H HA 0.280 4.836 4.556 0.000 0.000 0.358 210 H C -1.165 174.188 175.328 0.042 0.000 1.129 210 H CA -0.629 55.443 56.048 0.039 0.000 1.230 210 H CB 1.426 31.111 29.762 -0.128 0.000 1.827 210 H HN 1.022 nan 8.280 nan 0.000 0.530 211 H N 2.333 121.217 119.070 -0.309 0.000 2.505 211 H HA 0.613 5.169 4.556 0.000 0.000 0.358 211 H C -0.382 174.414 175.328 -0.887 0.000 1.304 211 H CA -0.659 55.026 56.048 -0.606 0.000 1.393 211 H CB 1.307 30.878 29.762 -0.318 0.000 1.591 211 H HN 0.642 nan 8.280 nan 0.000 0.595 212 E N -1.294 118.033 120.200 -1.455 0.000 2.693 212 E HA -0.030 4.320 4.350 -0.000 0.000 0.293 212 E C -0.095 176.451 176.600 -0.091 0.000 1.208 212 E CA -0.236 55.708 56.400 -0.760 0.000 0.988 212 E CB 0.500 30.090 29.700 -0.185 0.000 1.101 212 E HN 0.357 nan 8.360 nan 0.000 0.442 213 V N -0.646 119.447 119.914 0.298 0.000 2.547 213 V HA -0.460 3.660 4.120 -0.000 0.000 0.181 213 V C 1.285 177.546 176.094 0.279 0.000 1.064 213 V CA 2.655 65.161 62.300 0.342 0.000 1.227 213 V CB -1.604 30.326 31.823 0.178 0.000 1.149 213 V HN 0.967 nan 8.190 nan 0.000 0.486 214 A N 0.046 122.994 122.820 0.213 0.000 2.445 214 A HA 0.417 4.737 4.320 -0.000 0.000 0.242 214 A C 0.642 178.397 177.584 0.286 0.000 1.075 214 A CA 1.090 53.288 52.037 0.269 0.000 0.777 214 A CB 0.322 19.573 19.000 0.420 0.000 1.013 214 A HN 0.615 nan 8.150 nan 0.000 0.493 215 T N 0.713 115.422 114.554 0.259 0.000 2.667 215 T HA 0.401 4.751 4.350 -0.000 0.000 0.305 215 T C 0.960 175.838 174.700 0.298 0.000 1.022 215 T CA 1.202 63.414 62.100 0.185 0.000 0.995 215 T CB 0.033 68.959 68.868 0.097 0.000 1.026 215 T HN 2.404 nan 8.240 nan 0.000 0.527 216 A N 0.038 122.951 122.820 0.155 0.000 2.800 216 A HA 0.132 4.452 4.320 -0.000 0.000 0.292 216 A C 1.387 179.242 177.584 0.452 0.000 1.474 216 A CA 1.252 53.456 52.037 0.278 0.000 0.744 216 A CB -2.306 16.971 19.000 0.461 0.000 1.044 216 A HN 2.621 nan 8.150 nan 0.000 0.489 217 G N -1.575 107.372 108.800 0.245 0.000 2.221 217 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 217 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 217 G C -0.026 174.856 174.900 -0.031 0.000 1.041 217 G CA 1.126 46.296 45.100 0.116 0.000 0.807 217 G HN 1.907 nan 8.290 nan 0.000 0.502 218 Q N -0.301 119.420 119.800 -0.131 0.000 2.313 218 Q HA 0.494 4.834 4.340 -0.000 0.000 0.266 218 Q C 0.231 175.888 176.000 -0.571 0.000 0.989 218 Q CA 0.056 55.417 55.803 -0.737 0.000 0.890 218 Q CB 0.289 28.456 28.738 -0.951 0.000 1.200 218 Q HN 0.564 nan 8.270 nan 0.000 0.396 219 N N 2.263 120.426 118.700 -0.895 0.000 2.525 219 N HA 0.426 5.166 4.740 -0.000 0.000 0.270 219 N C -1.898 172.834 175.510 -1.298 0.000 1.321 219 N CA -0.780 51.709 53.050 -0.935 0.000 0.797 219 N CB 1.965 39.975 38.487 -0.796 0.000 1.529 219 N HN 0.561 nan 8.380 nan 0.000 0.491 220 E N 0.362 120.019 120.200 -0.906 0.000 2.343 220 E HA 0.564 4.914 4.350 -0.000 0.000 0.278 220 E C -1.899 174.535 176.600 -0.276 0.000 0.910 220 E CA -0.644 55.397 56.400 -0.598 0.000 0.757 220 E CB 1.907 31.281 29.700 -0.542 0.000 1.218 220 E HN 0.256 nan 8.360 nan 0.000 0.435 221 V N 2.447 122.441 119.914 0.133 0.000 2.443 221 V HA 0.561 4.681 4.120 -0.000 0.000 0.293 221 V C -0.278 175.991 176.094 0.292 0.000 1.021 221 V CA -0.611 61.834 62.300 0.242 0.000 0.848 221 V CB 1.265 33.252 31.823 0.275 0.000 0.998 221 V HN 0.762 nan 8.190 nan 0.000 0.424 222 A N 4.110 127.039 122.820 0.182 0.000 2.320 222 A HA 0.761 5.081 4.320 -0.000 0.000 0.287 222 A C 0.455 178.115 177.584 0.127 0.000 1.181 222 A CA -0.192 51.921 52.037 0.126 0.000 0.831 222 A CB 0.313 19.374 19.000 0.102 0.000 1.102 222 A HN 0.895 nan 8.150 nan 0.000 0.513 223 T N 0.443 115.055 114.554 0.095 0.000 2.887 223 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 223 T C -0.056 174.671 174.700 0.045 0.000 1.021 223 T CA -0.871 61.280 62.100 0.085 0.000 1.000 223 T CB 1.269 70.209 68.868 0.119 0.000 1.034 223 T HN 0.759 nan 8.240 nan 0.000 0.467 224 R N 1.447 121.957 120.500 0.017 0.000 2.590 224 R HA 0.373 4.713 4.340 -0.000 0.000 0.274 224 R C 0.289 176.536 176.300 -0.087 0.000 1.061 224 R CA -0.743 55.343 56.100 -0.024 0.000 1.081 224 R CB 0.077 30.299 30.300 -0.129 0.000 0.984 224 R HN 0.690 nan 8.270 nan 0.000 0.448 225 F N 2.267 122.221 119.950 0.006 0.000 2.587 225 F HA 0.278 4.805 4.527 0.000 0.000 0.319 225 F C -0.006 175.812 175.800 0.030 0.000 1.253 225 F CA -0.566 57.440 58.000 0.011 0.000 1.345 225 F CB 0.203 39.199 39.000 -0.007 0.000 1.172 225 F HN 0.534 nan 8.300 nan 0.000 0.588 226 N N -1.833 116.950 118.700 0.138 0.000 3.355 226 N HA 0.141 4.881 4.740 -0.000 0.000 0.238 226 N C -1.590 174.057 175.510 0.229 0.000 1.466 226 N CA 0.002 53.086 53.050 0.057 0.000 0.882 226 N CB 1.226 39.695 38.487 -0.030 0.000 1.406 226 N HN 1.032 nan 8.380 nan 0.000 0.500 227 T N -0.325 114.332 114.554 0.172 0.000 2.905 227 T HA 0.020 4.370 4.350 -0.000 0.000 0.299 227 T C 1.950 176.773 174.700 0.204 0.000 1.024 227 T CA 0.373 62.585 62.100 0.186 0.000 1.151 227 T CB 0.033 68.981 68.868 0.134 0.000 0.987 227 T HN 0.590 nan 8.240 nan 0.000 0.535 228 M N 3.010 122.766 119.600 0.259 0.000 2.270 228 M HA -0.258 4.222 4.480 -0.000 0.000 0.254 228 M C 2.060 178.456 176.300 0.160 0.000 1.072 228 M CA 2.855 58.258 55.300 0.172 0.000 1.077 228 M CB -1.052 31.639 32.600 0.153 0.000 1.288 228 M HN 0.884 nan 8.290 nan 0.000 0.424 229 T N -0.289 114.366 114.554 0.169 0.000 2.737 229 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 229 T C 1.667 176.483 174.700 0.193 0.000 1.038 229 T CA 1.772 63.991 62.100 0.199 0.000 1.144 229 T CB -0.241 68.725 68.868 0.163 0.000 0.866 229 T HN 0.408 nan 8.240 nan 0.000 0.434 230 K N 0.790 121.278 120.400 0.147 0.000 2.147 230 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 230 K C 2.252 178.918 176.600 0.109 0.000 1.049 230 K CA 1.122 57.480 56.287 0.118 0.000 0.936 230 K CB 0.001 32.552 32.500 0.086 0.000 0.722 230 K HN -0.035 nan 8.250 nan 0.000 0.446 231 K N 0.530 121.012 120.400 0.137 0.000 2.025 231 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 231 K C 1.720 178.396 176.600 0.128 0.000 1.049 231 K CA 1.574 57.954 56.287 0.156 0.000 0.933 231 K CB -0.551 32.079 32.500 0.216 0.000 0.714 231 K HN 0.196 nan 8.250 nan 0.000 0.438 232 A N 0.827 123.683 122.820 0.061 0.000 2.024 232 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 232 A C 1.671 178.988 177.584 -0.445 0.000 1.164 232 A CA 2.030 53.773 52.037 -0.489 0.000 0.643 232 A CB -0.624 17.732 19.000 -1.073 0.000 0.806 232 A HN 0.378 nan 8.150 nan 0.000 0.451 233 D N -0.055 120.296 120.400 -0.081 0.000 2.078 233 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 233 D C 1.946 178.248 176.300 0.004 0.000 0.990 233 D CA 1.475 55.508 54.000 0.056 0.000 0.827 233 D CB -0.489 40.386 40.800 0.125 0.000 0.975 233 D HN 0.607 nan 8.370 nan 0.000 0.451 234 E N 0.176 120.390 120.200 0.023 0.000 2.171 234 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 234 E C 2.087 178.711 176.600 0.040 0.000 0.997 234 E CA 0.416 56.843 56.400 0.044 0.000 0.810 234 E CB 0.029 29.761 29.700 0.053 0.000 0.738 234 E HN 0.255 nan 8.360 nan 0.000 0.467 235 I N 1.458 121.999 120.570 -0.047 0.000 2.179 235 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 235 I C 2.428 178.499 176.117 -0.076 0.000 1.088 235 I CA 1.373 62.606 61.300 -0.112 0.000 1.357 235 I CB -1.118 36.739 38.000 -0.238 0.000 1.051 235 I HN 0.148 nan 8.210 nan 0.000 0.409 236 Q N 0.258 119.996 119.800 -0.103 0.000 2.096 236 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 236 Q C 2.391 178.417 176.000 0.043 0.000 0.982 236 Q CA 1.479 57.251 55.803 -0.051 0.000 0.850 236 Q CB -0.382 28.335 28.738 -0.035 0.000 0.901 236 Q HN 0.523 nan 8.270 nan 0.000 0.422 237 I N -0.226 120.383 120.570 0.066 0.000 2.179 237 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 237 I C 2.323 178.549 176.117 0.183 0.000 1.088 237 I CA 1.190 62.564 61.300 0.124 0.000 1.357 237 I CB -0.445 37.610 38.000 0.090 0.000 1.051 237 I HN 0.122 nan 8.210 nan 0.000 0.409 238 Y N 2.209 122.517 120.300 0.014 0.000 2.014 238 Y HA -0.393 4.157 4.550 0.000 0.000 0.272 238 Y C 2.566 178.453 175.900 -0.022 0.000 1.164 238 Y CA 2.032 60.130 58.100 -0.004 0.000 1.114 238 Y CB -0.215 38.225 38.460 -0.033 0.000 0.961 238 Y HN -0.024 nan 8.280 nan 0.000 0.489 239 K N -1.220 119.254 120.400 0.124 0.000 2.103 239 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 239 K C 1.955 178.621 176.600 0.111 0.000 1.048 239 K CA 1.806 58.053 56.287 -0.066 0.000 0.930 239 K CB -0.625 31.675 32.500 -0.332 0.000 0.716 239 K HN 0.434 nan 8.250 nan 0.000 0.444 240 Y N 1.621 121.941 120.300 0.034 0.000 2.089 240 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 240 Y C 2.092 178.010 175.900 0.031 0.000 1.139 240 Y CA 1.176 59.311 58.100 0.058 0.000 1.123 240 Y CB -0.576 37.910 38.460 0.043 0.000 0.980 240 Y HN -0.255 nan 8.280 nan 0.000 0.493 241 V N -0.610 119.348 119.914 0.074 0.000 2.278 241 V HA -0.375 3.745 4.120 -0.000 0.000 0.251 241 V C 2.414 178.402 176.094 -0.177 0.000 1.062 241 V CA 1.891 64.218 62.300 0.044 0.000 1.038 241 V CB -1.167 30.672 31.823 0.027 0.000 0.646 241 V HN 0.374 nan 8.190 nan 0.000 0.447 242 V N -0.558 119.171 119.914 -0.308 0.000 2.220 242 V HA -0.344 3.776 4.120 -0.000 0.000 0.246 242 V C 2.239 178.092 176.094 -0.402 0.000 1.049 242 V CA 2.615 64.610 62.300 -0.509 0.000 1.003 242 V CB -0.921 30.435 31.823 -0.777 0.000 0.634 242 V HN 0.625 nan 8.190 nan 0.000 0.444 243 H N -0.123 118.789 119.070 -0.263 0.000 2.357 243 H HA -0.220 4.336 4.556 0.000 0.000 0.296 243 H C 2.305 177.438 175.328 -0.325 0.000 1.108 243 H CA 2.258 58.167 56.048 -0.230 0.000 1.273 243 H CB -0.016 29.676 29.762 -0.116 0.000 1.367 243 H HN 0.474 nan 8.280 nan 0.000 0.498 244 N N -0.695 117.740 118.700 -0.442 0.000 2.207 244 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 244 N C 1.850 177.028 175.510 -0.554 0.000 1.020 244 N CA 0.753 53.330 53.050 -0.789 0.000 0.858 244 N CB 0.068 37.415 38.487 -1.901 0.000 0.991 244 N HN 0.011 nan 8.380 nan 0.000 0.427 245 V N 1.178 120.863 119.914 -0.382 0.000 2.343 245 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 245 V C 2.260 178.287 176.094 -0.112 0.000 1.051 245 V CA 1.909 64.151 62.300 -0.096 0.000 1.036 245 V CB -0.937 30.817 31.823 -0.116 0.000 0.654 245 V HN 0.357 nan 8.190 nan 0.000 0.451 246 A N -0.452 122.250 122.820 -0.197 0.000 1.865 246 A HA -0.350 3.970 4.320 -0.000 0.000 0.217 246 A C 2.086 179.673 177.584 0.006 0.000 1.191 246 A CA 2.573 54.530 52.037 -0.134 0.000 0.623 246 A CB -0.975 17.933 19.000 -0.154 0.000 0.826 246 A HN 0.766 nan 8.150 nan 0.000 0.444 247 H N -0.521 118.496 119.070 -0.088 0.000 2.289 247 H HA -0.081 4.474 4.556 -0.000 0.000 0.296 247 H C 2.209 177.543 175.328 0.010 0.000 1.091 247 H CA 2.128 58.144 56.048 -0.054 0.000 1.274 247 H CB -0.113 29.572 29.762 -0.130 0.000 1.364 247 H HN 0.355 nan 8.280 nan 0.000 0.490 248 R N -0.725 119.832 120.500 0.095 0.000 2.241 248 R HA -0.114 4.226 4.340 -0.000 0.000 0.224 248 R C 0.956 177.345 176.300 0.147 0.000 1.101 248 R CA 1.143 57.316 56.100 0.122 0.000 0.995 248 R CB -0.144 30.287 30.300 0.219 0.000 0.870 248 R HN 0.403 nan 8.270 nan 0.000 0.463 249 F N -0.413 119.484 119.950 -0.089 0.000 2.639 249 F HA 0.191 4.718 4.527 0.000 0.000 0.300 249 F C 1.339 177.088 175.800 -0.085 0.000 1.109 249 F CA 0.002 57.960 58.000 -0.069 0.000 1.335 249 F CB 0.935 39.902 39.000 -0.055 0.000 1.014 249 F HN 0.138 nan 8.300 nan 0.000 0.537 250 G N 1.307 110.109 108.800 0.002 0.000 2.179 250 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 250 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 250 G C 0.239 175.138 174.900 -0.002 0.000 1.010 250 G CA 0.058 45.124 45.100 -0.058 0.000 0.736 250 G HN 0.356 nan 8.290 nan 0.000 0.513 251 K N -0.931 119.483 120.400 0.024 0.000 2.280 251 K HA 0.740 5.060 4.320 -0.000 0.000 0.234 251 K C -0.419 176.205 176.600 0.040 0.000 1.028 251 K CA -0.218 56.096 56.287 0.044 0.000 0.882 251 K CB 1.776 34.299 32.500 0.038 0.000 1.194 251 K HN 0.125 nan 8.250 nan 0.000 0.458 252 T N -0.083 114.517 114.554 0.076 0.000 2.949 252 T HA 0.567 4.917 4.350 -0.000 0.000 0.300 252 T C -1.427 173.309 174.700 0.060 0.000 0.988 252 T CA -0.549 61.617 62.100 0.110 0.000 0.993 252 T CB 0.953 69.926 68.868 0.176 0.000 0.984 252 T HN 0.597 nan 8.240 nan 0.000 0.442 253 A N 3.475 126.315 122.820 0.034 0.000 2.303 253 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 253 A C 0.244 177.834 177.584 0.010 0.000 1.149 253 A CA -0.662 51.307 52.037 -0.113 0.000 0.822 253 A CB 1.397 20.167 19.000 -0.383 0.000 1.131 253 A HN 0.847 nan 8.150 nan 0.000 0.493 254 T N 0.623 115.111 114.554 -0.109 0.000 2.921 254 T HA 0.551 4.901 4.350 -0.000 0.000 0.297 254 T C -0.814 173.873 174.700 -0.021 0.000 1.013 254 T CA -0.290 61.861 62.100 0.086 0.000 0.990 254 T CB 0.255 69.268 68.868 0.242 0.000 1.023 254 T HN 0.362 nan 8.240 nan 0.000 0.447 255 F N 3.973 124.025 119.950 0.170 0.000 2.660 255 F HA 0.341 4.867 4.527 -0.000 0.000 0.302 255 F C 1.319 177.225 175.800 0.175 0.000 1.103 255 F CA -0.669 57.427 58.000 0.161 0.000 1.340 255 F CB 0.058 39.110 39.000 0.087 0.000 1.048 255 F HN 0.528 nan 8.300 nan 0.000 0.551 256 M N 1.502 121.290 119.600 0.313 0.000 2.239 256 M HA 0.205 4.685 4.480 -0.000 0.000 0.348 256 M C -1.676 174.766 176.300 0.237 0.000 1.239 256 M CA -1.379 54.057 55.300 0.228 0.000 1.114 256 M CB 0.526 33.219 32.600 0.156 0.000 1.641 256 M HN -0.223 nan 8.290 nan 0.000 0.453 257 P HA -0.152 nan 4.420 nan 0.000 0.216 257 P C 0.053 177.458 177.300 0.174 0.000 1.153 257 P CA 1.759 64.962 63.100 0.173 0.000 0.858 257 P CB 0.076 31.841 31.700 0.108 0.000 0.789 258 K N -0.382 120.094 120.400 0.126 0.000 2.827 258 K HA 0.255 4.575 4.320 -0.000 0.000 0.186 258 K C -1.998 174.627 176.600 0.042 0.000 1.093 258 K CA -2.312 54.029 56.287 0.090 0.000 0.993 258 K CB 0.615 33.150 32.500 0.059 0.000 1.199 258 K HN -0.112 nan 8.250 nan 0.000 0.598 259 P HA -0.120 nan 4.420 nan 0.000 0.213 259 P C 0.014 177.244 177.300 -0.118 0.000 1.170 259 P CA 1.035 64.085 63.100 -0.083 0.000 0.889 259 P CB 0.355 31.962 31.700 -0.155 0.000 0.782 260 M N -1.376 118.133 119.600 -0.152 0.000 2.363 260 M HA 0.268 4.748 4.480 -0.000 0.000 0.343 260 M C 1.242 177.536 176.300 -0.009 0.000 1.165 260 M CA -0.878 54.376 55.300 -0.076 0.000 1.046 260 M CB 1.717 34.277 32.600 -0.067 0.000 1.648 260 M HN -0.166 nan 8.290 nan 0.000 0.452 261 F N 1.886 121.795 119.950 -0.069 0.000 2.146 261 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 261 F C 1.656 177.400 175.800 -0.093 0.000 1.096 261 F CA 1.639 59.588 58.000 -0.084 0.000 1.275 261 F CB -0.455 38.519 39.000 -0.043 0.000 1.008 261 F HN 0.725 nan 8.300 nan 0.000 0.480 262 G N 0.933 109.435 108.800 -0.497 0.000 3.824 262 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.280 262 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.280 262 G C -0.269 174.359 174.900 -0.454 0.000 0.963 262 G CA 1.971 46.794 45.100 -0.462 0.000 0.865 262 G HN 0.604 nan 8.290 nan 0.000 1.379 263 D N -2.744 117.566 120.400 -0.150 0.000 2.946 263 D HA 0.342 4.982 4.640 -0.000 0.000 0.337 263 D C -0.324 176.131 176.300 0.258 0.000 1.332 263 D CA -0.432 53.686 54.000 0.197 0.000 0.935 263 D CB -0.244 40.709 40.800 0.254 0.000 1.440 263 D HN 0.398 nan 8.370 nan 0.000 0.540 264 N N 0.264 119.251 118.700 0.477 0.000 1.874 264 N HA -0.085 4.655 4.740 -0.000 0.000 0.333 264 N C 0.081 175.728 175.510 0.229 0.000 1.214 264 N CA 0.998 54.242 53.050 0.324 0.000 0.856 264 N CB -0.319 38.300 38.487 0.221 0.000 1.109 264 N HN 0.537 nan 8.380 nan 0.000 0.525 265 G N 2.150 111.069 108.800 0.198 0.000 2.508 265 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 265 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 265 G C -0.681 174.318 174.900 0.165 0.000 1.389 265 G CA -0.095 45.121 45.100 0.194 0.000 1.050 265 G HN 0.795 nan 8.290 nan 0.000 0.522 266 S N -1.296 114.525 115.700 0.201 0.000 2.442 266 S HA 0.741 5.211 4.470 -0.000 0.000 0.297 266 S C -0.015 174.663 174.600 0.129 0.000 1.131 266 S CA -0.126 58.142 58.200 0.113 0.000 1.092 266 S CB 1.498 64.799 63.200 0.169 0.000 0.998 266 S HN 1.213 nan 8.310 nan 0.000 0.478 267 G N 1.186 110.028 108.800 0.069 0.000 2.690 267 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 267 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 267 G C -1.408 173.480 174.900 -0.021 0.000 1.403 267 G CA -0.923 44.226 45.100 0.081 0.000 0.864 267 G HN 0.753 nan 8.290 nan 0.000 0.480 268 M N 2.282 121.907 119.600 0.043 0.000 2.182 268 M HA 0.337 4.817 4.480 -0.000 0.000 0.285 268 M C -0.596 175.755 176.300 0.086 0.000 0.956 268 M CA -0.533 54.770 55.300 0.005 0.000 0.878 268 M CB -0.117 32.514 32.600 0.051 0.000 1.373 268 M HN 0.718 nan 8.290 nan 0.000 0.393 269 H N 1.418 120.510 119.070 0.036 0.000 2.871 269 H HA 0.113 4.669 4.556 0.000 0.000 0.355 269 H C -0.502 174.847 175.328 0.034 0.000 1.092 269 H CA -0.438 55.633 56.048 0.039 0.000 1.420 269 H CB 0.758 30.566 29.762 0.078 0.000 1.400 269 H HN 0.575 nan 8.280 nan 0.000 0.604 270 C N 3.867 123.270 119.300 0.171 0.000 2.321 270 C HA 0.175 4.635 4.460 -0.000 0.000 0.323 270 C C 0.136 175.181 174.990 0.093 0.000 1.191 270 C CA -0.639 58.434 59.018 0.092 0.000 1.455 270 C CB -0.753 27.015 27.740 0.048 0.000 2.083 270 C HN 0.830 nan 8.230 nan 0.000 0.442 271 H N 3.120 122.113 119.070 -0.128 0.000 2.580 271 H HA 0.510 5.066 4.556 0.000 0.000 0.322 271 H C -0.137 174.955 175.328 -0.394 0.000 1.082 271 H CA 0.034 55.967 56.048 -0.192 0.000 1.383 271 H CB 0.986 30.672 29.762 -0.126 0.000 1.450 271 H HN 0.526 nan 8.280 nan 0.000 0.505 272 M N 1.478 120.843 119.600 -0.393 0.000 2.618 272 M HA 0.314 4.794 4.480 -0.000 0.000 0.281 272 M C -1.069 174.760 176.300 -0.786 0.000 1.267 272 M CA -0.640 54.247 55.300 -0.687 0.000 0.845 272 M CB 2.736 34.860 32.600 -0.793 0.000 1.732 272 M HN 0.684 nan 8.290 nan 0.000 0.461 273 S N 0.944 115.993 115.700 -1.084 0.000 2.586 273 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 273 S C -1.865 171.973 174.600 -1.270 0.000 1.131 273 S CA -1.088 56.094 58.200 -1.697 0.000 0.848 273 S CB 0.926 63.547 63.200 -0.965 0.000 1.091 273 S HN 0.679 nan 8.310 nan 0.000 0.453 274 L N 1.503 121.919 121.223 -1.345 0.000 2.330 274 L HA 0.960 5.300 4.340 -0.000 0.000 0.271 274 L C 0.256 177.012 176.870 -0.191 0.000 1.013 274 L CA -0.699 53.887 54.840 -0.424 0.000 0.816 274 L CB 1.877 43.915 42.059 -0.035 0.000 1.287 274 L HN 1.107 nan 8.230 nan 0.000 0.435 275 A N 2.298 125.072 122.820 -0.076 0.000 2.527 275 A HA 0.823 5.143 4.320 -0.000 0.000 0.293 275 A C -1.234 176.362 177.584 0.021 0.000 1.117 275 A CA -0.622 51.399 52.037 -0.026 0.000 0.723 275 A CB 2.046 21.022 19.000 -0.040 0.000 1.313 275 A HN 0.619 nan 8.150 nan 0.000 0.411 276 K N 1.488 121.903 120.400 0.026 0.000 2.651 276 K HA 0.290 4.610 4.320 -0.000 0.000 0.259 276 K C -1.055 175.561 176.600 0.027 0.000 1.017 276 K CA -0.514 55.793 56.287 0.034 0.000 0.897 276 K CB 0.540 33.065 32.500 0.042 0.000 1.262 276 K HN 0.779 nan 8.250 nan 0.000 0.460 277 N N 2.878 121.594 118.700 0.026 0.000 2.671 277 N HA -0.205 4.535 4.740 -0.000 0.000 0.261 277 N C 0.504 176.025 175.510 0.020 0.000 1.053 277 N CA 1.411 54.474 53.050 0.022 0.000 0.732 277 N CB -1.167 37.333 38.487 0.020 0.000 0.887 277 N HN 1.139 nan 8.380 nan 0.000 0.546 278 G N -1.250 107.562 108.800 0.021 0.000 2.200 278 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.268 278 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.268 278 G C 0.254 175.160 174.900 0.010 0.000 0.986 278 G CA 1.294 46.404 45.100 0.018 0.000 0.677 278 G HN 0.630 nan 8.290 nan 0.000 0.532 279 T N 0.283 114.843 114.554 0.009 0.000 2.824 279 T HA 0.478 4.828 4.350 -0.000 0.000 0.280 279 T C -0.039 174.661 174.700 0.001 0.000 0.995 279 T CA -0.580 61.524 62.100 0.007 0.000 1.009 279 T CB 1.618 70.494 68.868 0.014 0.000 0.955 279 T HN 0.208 nan 8.240 nan 0.000 0.452 280 N N 2.746 121.442 118.700 -0.007 0.000 2.482 280 N HA 0.089 4.829 4.740 -0.000 0.000 0.242 280 N C 0.619 176.157 175.510 0.047 0.000 1.100 280 N CA -0.614 52.427 53.050 -0.015 0.000 0.946 280 N CB 0.210 38.668 38.487 -0.047 0.000 1.227 280 N HN 0.346 nan 8.380 nan 0.000 0.508 281 L N 2.969 124.246 121.223 0.090 0.000 2.551 281 L HA -0.037 4.303 4.340 -0.000 0.000 0.230 281 L C 1.151 178.178 176.870 0.262 0.000 1.163 281 L CA 0.940 55.878 54.840 0.163 0.000 0.826 281 L CB -0.677 41.497 42.059 0.193 0.000 0.943 281 L HN 0.494 nan 8.230 nan 0.000 0.452 282 F N -1.531 118.358 119.950 -0.100 0.000 2.765 282 F HA 0.178 4.705 4.527 0.000 0.000 0.302 282 F C 1.512 177.255 175.800 -0.095 0.000 1.111 282 F CA -0.659 57.269 58.000 -0.120 0.000 1.359 282 F CB -0.486 38.405 39.000 -0.181 0.000 1.097 282 F HN 0.025 nan 8.300 nan 0.000 0.577 283 S N -0.779 114.966 115.700 0.075 0.000 2.578 283 S HA 0.841 5.311 4.470 -0.000 0.000 0.283 283 S C 0.111 174.706 174.600 -0.008 0.000 1.195 283 S CA 0.104 58.314 58.200 0.017 0.000 1.050 283 S CB 2.087 65.291 63.200 0.007 0.000 1.012 283 S HN 0.265 nan 8.310 nan 0.000 0.511 284 G N 1.374 110.162 108.800 -0.021 0.000 2.588 284 G HA2 0.455 4.415 3.960 -0.000 0.000 0.281 284 G HA3 0.455 4.415 3.960 -0.000 0.000 0.281 284 G C -1.413 173.474 174.900 -0.023 0.000 1.223 284 G CA -0.167 44.918 45.100 -0.025 0.000 0.871 284 G HN 0.691 nan 8.290 nan 0.000 0.492 285 D N -0.485 119.902 120.400 -0.021 0.000 2.469 285 D HA 0.227 4.867 4.640 -0.000 0.000 0.215 285 D C 0.797 177.091 176.300 -0.009 0.000 1.154 285 D CA -0.080 53.910 54.000 -0.017 0.000 0.832 285 D CB 0.688 41.480 40.800 -0.013 0.000 1.008 285 D HN 0.188 nan 8.370 nan 0.000 0.506 286 K N 0.144 120.542 120.400 -0.003 0.000 2.761 286 K HA 0.148 4.468 4.320 -0.000 0.000 0.286 286 K C -0.017 176.626 176.600 0.071 0.000 1.019 286 K CA -0.860 55.447 56.287 0.033 0.000 1.070 286 K CB -0.290 32.222 32.500 0.020 0.000 1.387 286 K HN 0.072 nan 8.250 nan 0.000 0.509 287 Y N 1.012 121.308 120.300 -0.006 0.000 2.996 287 Y HA -0.137 4.413 4.550 -0.000 0.000 0.347 287 Y C 0.905 176.802 175.900 -0.004 0.000 1.276 287 Y CA 1.425 59.529 58.100 0.007 0.000 1.601 287 Y CB -0.265 38.230 38.460 0.059 0.000 1.193 287 Y HN 0.753 nan 8.280 nan 0.000 0.582 288 A N 3.736 126.292 122.820 -0.440 0.000 2.790 288 A HA -0.179 4.141 4.320 -0.000 0.000 0.277 288 A C 1.697 179.215 177.584 -0.111 0.000 1.435 288 A CA 1.544 53.397 52.037 -0.307 0.000 0.877 288 A CB -2.256 16.593 19.000 -0.252 0.000 1.007 288 A HN 2.567 nan 8.150 nan 0.000 0.613 289 G N -3.082 105.673 108.800 -0.075 0.000 2.157 289 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.248 289 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.248 289 G C 0.100 174.986 174.900 -0.024 0.000 0.979 289 G CA 0.341 45.414 45.100 -0.045 0.000 0.650 289 G HN 1.332 nan 8.290 nan 0.000 0.529 290 L N 1.491 122.709 121.223 -0.009 0.000 2.436 290 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 290 L C 1.506 178.335 176.870 -0.068 0.000 1.168 290 L CA 0.082 54.903 54.840 -0.031 0.000 0.815 290 L CB 1.223 43.270 42.059 -0.020 0.000 1.109 290 L HN 0.456 nan 8.230 nan 0.000 0.462 291 S N 0.035 115.663 115.700 -0.120 0.000 2.681 291 S HA 0.131 4.601 4.470 -0.000 0.000 0.270 291 S C 0.779 175.253 174.600 -0.209 0.000 1.209 291 S CA -0.531 57.592 58.200 -0.129 0.000 0.988 291 S CB 1.506 64.641 63.200 -0.108 0.000 1.006 291 S HN 0.743 nan 8.310 nan 0.000 0.558 292 E N 0.214 120.305 120.200 -0.183 0.000 2.051 292 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 292 E C 2.050 178.420 176.600 -0.384 0.000 0.991 292 E CA 1.422 57.653 56.400 -0.281 0.000 0.799 292 E CB -0.319 29.291 29.700 -0.151 0.000 0.748 292 E HN 0.766 nan 8.360 nan 0.000 0.449 293 Q N 0.438 120.111 119.800 -0.212 0.000 2.047 293 Q HA -0.291 4.049 4.340 -0.000 0.000 0.211 293 Q C 2.000 177.757 176.000 -0.405 0.000 1.005 293 Q CA 2.728 58.433 55.803 -0.162 0.000 0.866 293 Q CB -0.550 28.113 28.738 -0.124 0.000 0.938 293 Q HN 0.398 nan 8.270 nan 0.000 0.414 294 A N -0.291 122.054 122.820 -0.792 0.000 1.892 294 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 294 A C 2.066 179.318 177.584 -0.554 0.000 1.188 294 A CA 1.892 53.255 52.037 -1.122 0.000 0.631 294 A CB -0.927 17.470 19.000 -1.006 0.000 0.822 294 A HN 0.453 nan 8.150 nan 0.000 0.447 295 L N -2.117 118.797 121.223 -0.516 0.000 2.191 295 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 295 L C 2.420 179.021 176.870 -0.449 0.000 1.103 295 L CA 1.118 55.623 54.840 -0.559 0.000 0.769 295 L CB -0.586 41.091 42.059 -0.636 0.000 0.908 295 L HN 0.430 nan 8.230 nan 0.000 0.438 296 Y N -1.981 118.171 120.300 -0.247 0.000 2.263 296 Y HA -0.230 4.320 4.550 -0.000 0.000 0.292 296 Y C 2.487 178.323 175.900 -0.105 0.000 1.130 296 Y CA 0.625 58.628 58.100 -0.162 0.000 1.179 296 Y CB -0.912 37.494 38.460 -0.089 0.000 0.998 296 Y HN 0.076 nan 8.280 nan 0.000 0.532 297 Y N 0.324 120.587 120.300 -0.063 0.000 2.097 297 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 297 Y C 2.361 178.222 175.900 -0.064 0.000 1.152 297 Y CA 1.805 59.890 58.100 -0.025 0.000 1.136 297 Y CB -0.550 37.889 38.460 -0.035 0.000 0.975 297 Y HN -0.011 nan 8.280 nan 0.000 0.498 298 I N -0.506 120.087 120.570 0.038 0.000 2.194 298 I HA -0.352 3.818 4.170 -0.000 0.000 0.246 298 I C 2.600 178.625 176.117 -0.153 0.000 1.093 298 I CA 1.587 62.827 61.300 -0.100 0.000 1.355 298 I CB -1.262 36.514 38.000 -0.372 0.000 1.046 298 I HN 0.409 nan 8.210 nan 0.000 0.413 299 G N 0.622 109.314 108.800 -0.180 0.000 2.418 299 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 299 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 299 G C 1.688 176.487 174.900 -0.169 0.000 1.158 299 G CA 0.873 45.880 45.100 -0.155 0.000 0.771 299 G HN 0.501 nan 8.290 nan 0.000 0.545 300 G N 0.530 109.234 108.800 -0.161 0.000 2.433 300 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 300 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 300 G C 1.808 176.558 174.900 -0.250 0.000 1.186 300 G CA 1.294 46.251 45.100 -0.239 0.000 0.779 300 G HN 0.304 nan 8.290 nan 0.000 0.543 301 V N 1.556 121.390 119.914 -0.134 0.000 2.282 301 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 301 V C 2.813 178.897 176.094 -0.016 0.000 1.057 301 V CA 1.778 64.072 62.300 -0.009 0.000 1.032 301 V CB -0.470 31.410 31.823 0.095 0.000 0.645 301 V HN 0.408 nan 8.190 nan 0.000 0.447 302 I N -0.303 120.230 120.570 -0.062 0.000 2.286 302 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 302 I C 2.568 178.590 176.117 -0.158 0.000 1.115 302 I CA 1.796 63.052 61.300 -0.073 0.000 1.392 302 I CB -0.488 37.472 38.000 -0.066 0.000 1.065 302 I HN 0.339 nan 8.210 nan 0.000 0.418 303 K N 0.539 120.763 120.400 -0.293 0.000 2.025 303 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 303 K C 1.838 178.170 176.600 -0.447 0.000 1.049 303 K CA 1.303 57.332 56.287 -0.430 0.000 0.933 303 K CB 0.014 32.111 32.500 -0.672 0.000 0.714 303 K HN 0.371 nan 8.250 nan 0.000 0.438 304 H N -0.140 118.763 119.070 -0.278 0.000 2.526 304 H HA 0.210 4.766 4.556 -0.000 0.000 0.274 304 H C 1.600 176.859 175.328 -0.115 0.000 0.999 304 H CA 0.495 56.344 56.048 -0.332 0.000 1.157 304 H CB 0.178 29.418 29.762 -0.870 0.000 1.407 304 H HN 0.318 nan 8.280 nan 0.000 0.568 305 A N 2.141 124.953 122.820 -0.013 0.000 1.873 305 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 305 A C 2.323 179.890 177.584 -0.029 0.000 1.269 305 A CA 2.273 54.283 52.037 -0.045 0.000 0.671 305 A CB -0.470 18.419 19.000 -0.185 0.000 0.842 305 A HN 0.359 nan 8.150 nan 0.000 0.460 306 K N -0.691 119.693 120.400 -0.027 0.000 2.113 306 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 306 K C 2.268 178.922 176.600 0.089 0.000 1.047 306 K CA 1.298 57.597 56.287 0.020 0.000 0.928 306 K CB -0.372 32.136 32.500 0.014 0.000 0.716 306 K HN 0.535 nan 8.250 nan 0.000 0.446 307 A N 1.465 124.357 122.820 0.121 0.000 1.872 307 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 307 A C 2.108 179.796 177.584 0.173 0.000 1.187 307 A CA 1.024 53.154 52.037 0.155 0.000 0.614 307 A CB -0.492 18.655 19.000 0.245 0.000 0.826 307 A HN 0.168 nan 8.150 nan 0.000 0.442 308 I N 0.247 120.959 120.570 0.238 0.000 2.264 308 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 308 I C 2.181 178.479 176.117 0.302 0.000 1.111 308 I CA 1.585 63.057 61.300 0.286 0.000 1.382 308 I CB -0.823 37.417 38.000 0.399 0.000 1.060 308 I HN 0.445 nan 8.210 nan 0.000 0.418 309 N N 1.166 120.031 118.700 0.274 0.000 2.037 309 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 309 N C 2.015 177.702 175.510 0.296 0.000 1.034 309 N CA 1.482 54.712 53.050 0.301 0.000 0.861 309 N CB -0.269 38.363 38.487 0.241 0.000 1.039 309 N HN 0.379 nan 8.380 nan 0.000 0.427 310 A N 0.834 123.803 122.820 0.248 0.000 2.042 310 A HA -0.163 4.157 4.320 -0.000 0.000 0.222 310 A C 2.004 179.744 177.584 0.261 0.000 1.167 310 A CA 1.284 53.479 52.037 0.263 0.000 0.649 310 A CB -0.494 18.622 19.000 0.193 0.000 0.809 310 A HN 0.249 nan 8.150 nan 0.000 0.457 311 L N -2.414 118.901 121.223 0.153 0.000 2.286 311 L HA 0.108 4.448 4.340 -0.000 0.000 0.203 311 L C 2.589 179.575 176.870 0.193 0.000 1.068 311 L CA 0.945 55.852 54.840 0.111 0.000 0.811 311 L CB -0.432 41.628 42.059 0.002 0.000 0.989 311 L HN 0.368 nan 8.230 nan 0.000 0.467 312 A N -0.671 122.286 122.820 0.229 0.000 2.275 312 A HA 0.125 4.445 4.320 -0.000 0.000 0.212 312 A C 0.551 178.261 177.584 0.210 0.000 1.201 312 A CA 0.168 52.340 52.037 0.225 0.000 0.843 312 A CB -0.146 19.007 19.000 0.255 0.000 0.873 312 A HN 0.454 nan 8.150 nan 0.000 0.492 313 N N -0.204 118.617 118.700 0.202 0.000 2.679 313 N HA 0.111 4.851 4.740 -0.000 0.000 0.240 313 N C -2.821 172.776 175.510 0.145 0.000 1.537 313 N CA -0.526 52.573 53.050 0.081 0.000 0.793 313 N CB 1.108 39.577 38.487 -0.029 0.000 1.391 313 N HN 0.048 nan 8.380 nan 0.000 0.524 314 P HA -0.023 nan 4.420 nan 0.000 0.242 314 P C 0.383 177.790 177.300 0.177 0.000 1.197 314 P CA 1.002 64.241 63.100 0.232 0.000 0.765 314 P CB 0.036 31.877 31.700 0.234 0.000 0.936 315 T N -4.970 109.675 114.554 0.153 0.000 2.887 315 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 315 T C 1.310 176.152 174.700 0.236 0.000 1.021 315 T CA -0.224 61.962 62.100 0.144 0.000 1.000 315 T CB 1.336 70.255 68.868 0.086 0.000 1.034 315 T HN -0.063 nan 8.240 nan 0.000 0.467 316 T N -0.034 114.656 114.554 0.225 0.000 2.759 316 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 316 T C 1.715 176.573 174.700 0.262 0.000 1.042 316 T CA 1.508 63.778 62.100 0.284 0.000 1.140 316 T CB -0.737 68.224 68.868 0.154 0.000 0.864 316 T HN 0.745 nan 8.240 nan 0.000 0.455 317 N N 0.876 119.663 118.700 0.144 0.000 2.166 317 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 317 N C 1.975 177.522 175.510 0.061 0.000 1.019 317 N CA 1.323 54.432 53.050 0.098 0.000 0.856 317 N CB -0.293 38.233 38.487 0.065 0.000 0.993 317 N HN 0.405 nan 8.380 nan 0.000 0.426 318 S N -0.155 115.534 115.700 -0.019 0.000 2.387 318 S HA -0.152 4.318 4.470 -0.000 0.000 0.230 318 S C 1.300 175.700 174.600 -0.333 0.000 1.035 318 S CA 1.162 59.234 58.200 -0.213 0.000 1.014 318 S CB -0.360 62.597 63.200 -0.404 0.000 0.836 318 S HN 0.493 nan 8.310 nan 0.000 0.466 319 Y N 0.612 120.974 120.300 0.103 0.000 2.583 319 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 319 Y C 2.086 178.036 175.900 0.082 0.000 1.157 319 Y CA 0.370 58.525 58.100 0.092 0.000 1.315 319 Y CB 0.021 38.527 38.460 0.076 0.000 1.021 319 Y HN 0.045 nan 8.280 nan 0.000 0.536 320 K N 0.129 120.622 120.400 0.156 0.000 2.365 320 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 320 K C 2.072 178.714 176.600 0.070 0.000 1.042 320 K CA 0.358 56.715 56.287 0.116 0.000 0.987 320 K CB 0.123 32.684 32.500 0.103 0.000 0.779 320 K HN 0.193 nan 8.250 nan 0.000 0.484 321 R N 0.376 120.913 120.500 0.061 0.000 2.066 321 R HA 0.091 4.431 4.340 -0.000 0.000 0.224 321 R C 0.150 176.510 176.300 0.100 0.000 1.122 321 R CA 0.518 56.651 56.100 0.055 0.000 0.974 321 R CB -0.049 30.294 30.300 0.073 0.000 0.871 321 R HN 0.022 nan 8.270 nan 0.000 0.435 322 L N 3.935 125.227 121.223 0.114 0.000 2.449 322 L HA 0.127 4.466 4.340 -0.000 0.000 0.266 322 L C -0.686 176.283 176.870 0.164 0.000 1.321 322 L CA -0.380 54.553 54.840 0.156 0.000 1.194 322 L CB -0.066 42.091 42.059 0.162 0.000 1.384 322 L HN 0.145 nan 8.230 nan 0.000 0.438 323 V N -0.030 119.983 119.914 0.165 0.000 3.147 323 V HA 0.650 4.770 4.120 -0.000 0.000 0.306 323 V C -2.763 173.377 176.094 0.076 0.000 1.209 323 V CA -2.530 59.862 62.300 0.153 0.000 1.023 323 V CB 1.887 33.823 31.823 0.189 0.000 1.059 323 V HN 0.097 nan 8.190 nan 0.000 0.435 324 P HA 0.476 nan 4.420 nan 0.000 0.269 324 P C 0.952 177.764 177.300 -0.813 0.000 1.215 324 P CA 1.732 64.412 63.100 -0.700 0.000 0.780 324 P CB 0.978 32.457 31.700 -0.368 0.000 0.898 325 G N 0.660 108.564 108.800 -1.493 0.000 2.195 325 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 325 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 325 G C 0.069 174.513 174.900 -0.761 0.000 0.984 325 G CA -0.178 44.377 45.100 -0.908 0.000 0.633 325 G HN 0.520 nan 8.290 nan 0.000 0.525 326 Y N 0.764 120.975 120.300 -0.150 0.000 2.672 326 Y HA 0.463 5.013 4.550 0.000 0.000 0.272 326 Y C 1.051 177.009 175.900 0.098 0.000 1.055 326 Y CA -0.195 57.906 58.100 0.001 0.000 1.151 326 Y CB -0.013 38.447 38.460 -0.001 0.000 1.190 326 Y HN 0.395 nan 8.280 nan 0.000 0.574 327 E N -0.767 119.590 120.200 0.261 0.000 2.883 327 E HA -0.245 4.105 4.350 -0.000 0.000 0.271 327 E C 0.073 176.852 176.600 0.299 0.000 1.049 327 E CA 0.607 57.181 56.400 0.290 0.000 0.817 327 E CB -1.384 28.450 29.700 0.223 0.000 1.407 327 E HN 0.427 nan 8.360 nan 0.000 0.434 328 A N 1.101 124.114 122.820 0.320 0.000 2.277 328 A HA 0.560 4.880 4.320 -0.000 0.000 0.318 328 A C -2.481 175.297 177.584 0.324 0.000 1.339 328 A CA -1.406 50.803 52.037 0.287 0.000 0.875 328 A CB 0.751 19.901 19.000 0.250 0.000 1.158 328 A HN -0.135 nan 8.150 nan 0.000 0.514 329 P HA 0.313 nan 4.420 nan 0.000 0.285 329 P C 0.823 178.265 177.300 0.237 0.000 1.259 329 P CA -0.337 62.922 63.100 0.265 0.000 0.794 329 P CB 1.482 33.281 31.700 0.165 0.000 0.940 330 V N -0.653 119.390 119.914 0.215 0.000 3.570 330 V HA 0.221 4.341 4.120 -0.000 0.000 0.257 330 V C 0.721 176.870 176.094 0.092 0.000 1.272 330 V CA 0.421 62.810 62.300 0.149 0.000 1.079 330 V CB -0.584 31.331 31.823 0.155 0.000 0.829 330 V HN 0.250 nan 8.190 nan 0.000 0.454 331 M N 2.241 121.900 119.600 0.098 0.000 2.227 331 M HA 0.299 4.779 4.480 -0.000 0.000 0.349 331 M C -0.348 175.984 176.300 0.052 0.000 1.443 331 M CA -0.476 54.858 55.300 0.057 0.000 1.110 331 M CB 0.544 33.168 32.600 0.039 0.000 1.773 331 M HN 0.157 nan 8.290 nan 0.000 0.463 332 L N 4.147 125.386 121.223 0.027 0.000 2.391 332 L HA 0.388 4.728 4.340 -0.000 0.000 0.249 332 L C 0.315 177.219 176.870 0.055 0.000 1.308 332 L CA -0.005 54.852 54.840 0.029 0.000 1.209 332 L CB -1.646 40.401 42.059 -0.020 0.000 1.401 332 L HN 0.811 nan 8.230 nan 0.000 0.416 333 A N 2.126 124.996 122.820 0.082 0.000 2.564 333 A HA 0.832 5.152 4.320 -0.000 0.000 0.288 333 A C -1.552 176.133 177.584 0.168 0.000 1.164 333 A CA -0.535 51.567 52.037 0.107 0.000 0.712 333 A CB 1.527 20.536 19.000 0.015 0.000 1.303 333 A HN 0.332 nan 8.150 nan 0.000 0.418 334 Y N -1.072 119.178 120.300 -0.084 0.000 2.536 334 Y HA 0.898 5.448 4.550 -0.000 0.000 0.347 334 Y C -0.266 175.553 175.900 -0.134 0.000 1.000 334 Y CA -1.267 56.776 58.100 -0.095 0.000 1.051 334 Y CB 1.531 39.920 38.460 -0.118 0.000 1.259 334 Y HN 1.270 nan 8.280 nan 0.000 0.468 335 S N 0.239 115.877 115.700 -0.104 0.000 2.622 335 S HA 0.622 5.092 4.470 -0.000 0.000 0.275 335 S C -0.517 174.148 174.600 0.109 0.000 1.112 335 S CA -0.123 58.020 58.200 -0.095 0.000 0.837 335 S CB 0.776 63.910 63.200 -0.109 0.000 1.082 335 S HN 1.525 nan 8.310 nan 0.000 0.456 336 A N 2.132 125.083 122.820 0.219 0.000 2.115 336 A HA 0.281 4.601 4.320 -0.000 0.000 0.211 336 A C 1.647 179.252 177.584 0.035 0.000 1.169 336 A CA 1.106 53.211 52.037 0.113 0.000 0.787 336 A CB -0.308 18.722 19.000 0.050 0.000 0.858 336 A HN 0.834 nan 8.150 nan 0.000 0.474 337 R N 1.113 121.634 120.500 0.035 0.000 1.981 337 R HA 0.089 4.429 4.340 -0.000 0.000 0.207 337 R C 0.577 176.864 176.300 -0.023 0.000 1.375 337 R CA 0.951 57.050 56.100 -0.003 0.000 1.068 337 R CB -1.168 29.129 30.300 -0.005 0.000 0.890 337 R HN 0.256 nan 8.270 nan 0.000 0.481 338 N N 0.883 119.561 118.700 -0.037 0.000 2.365 338 N HA -0.062 4.678 4.740 -0.000 0.000 0.265 338 N C -0.476 174.990 175.510 -0.074 0.000 1.288 338 N CA 0.365 53.375 53.050 -0.067 0.000 0.869 338 N CB 0.480 38.918 38.487 -0.082 0.000 1.071 338 N HN 0.390 nan 8.380 nan 0.000 0.480 339 R N 1.775 122.217 120.500 -0.096 0.000 2.586 339 R HA 0.174 4.514 4.340 -0.000 0.000 0.306 339 R C 0.411 176.614 176.300 -0.162 0.000 1.079 339 R CA -0.070 55.974 56.100 -0.093 0.000 1.083 339 R CB 0.248 30.513 30.300 -0.057 0.000 1.306 339 R HN 0.496 nan 8.270 nan 0.000 0.567 340 S N 0.154 115.725 115.700 -0.215 0.000 2.524 340 S HA 0.148 4.618 4.470 -0.000 0.000 0.216 340 S C 0.851 175.387 174.600 -0.107 0.000 0.987 340 S CA -0.248 57.765 58.200 -0.312 0.000 0.909 340 S CB 0.693 63.692 63.200 -0.335 0.000 0.781 340 S HN 0.352 nan 8.310 nan 0.000 0.521 341 A N 2.112 124.894 122.820 -0.064 0.000 2.366 341 A HA 0.505 4.825 4.320 -0.000 0.000 0.272 341 A C 1.305 178.916 177.584 0.044 0.000 1.135 341 A CA -0.339 51.696 52.037 -0.003 0.000 0.804 341 A CB 0.330 19.320 19.000 -0.016 0.000 1.064 341 A HN 0.323 nan 8.150 nan 0.000 0.499 342 S N 1.953 117.716 115.700 0.103 0.000 2.453 342 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 342 S C 0.372 175.068 174.600 0.160 0.000 1.005 342 S CA 0.734 59.040 58.200 0.178 0.000 0.949 342 S CB -0.510 62.868 63.200 0.297 0.000 0.774 342 S HN 0.514 nan 8.310 nan 0.000 0.510 343 I N 1.535 122.188 120.570 0.139 0.000 2.378 343 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 343 I C 0.213 176.380 176.117 0.084 0.000 0.992 343 I CA -0.369 61.001 61.300 0.116 0.000 1.154 343 I CB 1.484 39.571 38.000 0.146 0.000 1.315 343 I HN 0.017 nan 8.210 nan 0.000 0.448 344 R N 5.825 126.345 120.500 0.034 0.000 2.670 344 R HA 0.641 4.981 4.340 -0.000 0.000 0.289 344 R C -1.254 175.052 176.300 0.010 0.000 0.965 344 R CA -0.878 55.234 56.100 0.020 0.000 0.899 344 R CB 1.747 32.037 30.300 -0.016 0.000 1.173 344 R HN 0.430 nan 8.270 nan 0.000 0.456 345 I N 5.587 126.188 120.570 0.053 0.000 2.330 345 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 345 I C -2.053 174.061 176.117 -0.005 0.000 1.025 345 I CA -2.850 58.478 61.300 0.046 0.000 1.197 345 I CB 1.003 39.105 38.000 0.169 0.000 1.358 345 I HN 0.318 nan 8.210 nan 0.000 0.467 346 P HA 0.113 nan 4.420 nan 0.000 0.271 346 P C -0.273 177.001 177.300 -0.044 0.000 1.220 346 P CA -0.053 63.009 63.100 -0.062 0.000 0.768 346 P CB 1.235 32.867 31.700 -0.113 0.000 0.848 347 V N 4.918 124.811 119.914 -0.035 0.000 2.546 347 V HA 0.372 4.492 4.120 -0.000 0.000 0.284 347 V C 0.702 176.774 176.094 -0.036 0.000 1.050 347 V CA -0.188 62.086 62.300 -0.044 0.000 0.981 347 V CB 1.430 33.223 31.823 -0.050 0.000 0.990 347 V HN 0.503 nan 8.190 nan 0.000 0.474 348 V N 3.851 123.742 119.914 -0.039 0.000 2.924 348 V HA 0.688 4.808 4.120 -0.000 0.000 0.300 348 V C 0.721 176.796 176.094 -0.031 0.000 1.227 348 V CA 0.168 62.449 62.300 -0.031 0.000 0.954 348 V CB 1.800 33.606 31.823 -0.028 0.000 1.055 348 V HN 1.007 nan 8.190 nan 0.000 0.429 349 A N 4.739 127.544 122.820 -0.025 0.000 1.941 349 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 349 A C 1.566 179.136 177.584 -0.024 0.000 1.407 349 A CA 2.588 54.612 52.037 -0.023 0.000 0.766 349 A CB -1.348 17.642 19.000 -0.017 0.000 0.838 349 A HN 2.066 nan 8.150 nan 0.000 0.482 350 S N -0.396 115.291 115.700 -0.021 0.000 2.617 350 S HA 0.328 4.798 4.470 -0.000 0.000 0.255 350 S C -1.254 173.330 174.600 -0.026 0.000 1.318 350 S CA -0.253 57.935 58.200 -0.020 0.000 0.978 350 S CB 0.307 63.497 63.200 -0.016 0.000 0.961 350 S HN 0.463 nan 8.310 nan 0.000 0.582 351 P HA 0.161 nan 4.420 nan 0.000 0.238 351 P C 0.856 178.137 177.300 -0.031 0.000 1.183 351 P CA 0.317 63.402 63.100 -0.024 0.000 0.813 351 P CB 0.118 31.808 31.700 -0.016 0.000 0.944 352 K N 0.863 121.244 120.400 -0.031 0.000 2.218 352 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 352 K C 1.730 178.285 176.600 -0.076 0.000 1.046 352 K CA 1.394 57.656 56.287 -0.042 0.000 0.933 352 K CB -0.730 31.755 32.500 -0.025 0.000 0.728 352 K HN 0.140 nan 8.250 nan 0.000 0.454 353 A N 0.767 123.544 122.820 -0.072 0.000 2.465 353 A HA 0.129 4.449 4.320 -0.000 0.000 0.255 353 A C 0.543 178.063 177.584 -0.106 0.000 1.274 353 A CA -0.367 51.608 52.037 -0.103 0.000 0.920 353 A CB 0.058 19.018 19.000 -0.066 0.000 1.033 353 A HN 0.013 nan 8.150 nan 0.000 0.516 354 R N 1.579 122.031 120.500 -0.080 0.000 2.590 354 R HA 0.447 4.787 4.340 -0.000 0.000 0.274 354 R C 0.519 176.774 176.300 -0.075 0.000 1.061 354 R CA 0.668 56.736 56.100 -0.053 0.000 1.081 354 R CB 0.169 30.463 30.300 -0.009 0.000 0.984 354 R HN 0.726 nan 8.270 nan 0.000 0.448 355 R N 2.614 123.076 120.500 -0.063 0.000 2.944 355 R HA 0.425 4.765 4.340 -0.000 0.000 0.270 355 R C -1.181 175.080 176.300 -0.065 0.000 0.989 355 R CA -0.937 55.105 56.100 -0.096 0.000 0.853 355 R CB 0.386 30.523 30.300 -0.272 0.000 1.430 355 R HN 0.506 nan 8.270 nan 0.000 0.450 356 I N -2.446 118.055 120.570 -0.115 0.000 2.892 356 I HA 0.645 4.815 4.170 -0.000 0.000 0.306 356 I C -1.063 174.913 176.117 -0.235 0.000 1.078 356 I CA -0.855 60.380 61.300 -0.108 0.000 1.032 356 I CB 2.444 40.450 38.000 0.010 0.000 1.229 356 I HN 0.753 nan 8.210 nan 0.000 0.435 357 E N 3.765 123.847 120.200 -0.196 0.000 2.220 357 E HA 0.468 4.818 4.350 -0.000 0.000 0.256 357 E C -1.819 174.764 176.600 -0.028 0.000 0.881 357 E CA -0.731 55.581 56.400 -0.148 0.000 0.766 357 E CB 2.147 31.714 29.700 -0.222 0.000 1.187 357 E HN 0.614 nan 8.360 nan 0.000 0.419 358 V N 6.461 126.368 119.914 -0.012 0.000 2.334 358 V HA 0.206 4.326 4.120 -0.000 0.000 0.267 358 V C 1.364 177.393 176.094 -0.109 0.000 1.040 358 V CA -0.260 62.007 62.300 -0.055 0.000 0.866 358 V CB 0.846 32.595 31.823 -0.123 0.000 1.019 358 V HN 0.719 nan 8.190 nan 0.000 0.468 359 R N 4.144 124.608 120.500 -0.061 0.000 2.193 359 R HA -0.054 4.286 4.340 -0.000 0.000 0.213 359 R C 1.811 178.156 176.300 0.076 0.000 1.055 359 R CA 1.317 57.367 56.100 -0.084 0.000 0.995 359 R CB -0.052 30.099 30.300 -0.248 0.000 0.893 359 R HN 0.765 nan 8.270 nan 0.000 0.459 360 F N -0.203 119.826 119.950 0.132 0.000 2.407 360 F HA 0.360 4.887 4.527 -0.000 0.000 0.299 360 F C -1.538 174.357 175.800 0.158 0.000 1.097 360 F CA -1.241 56.845 58.000 0.144 0.000 1.422 360 F CB -1.636 37.439 39.000 0.124 0.000 1.067 360 F HN -0.153 nan 8.300 nan 0.000 0.539 361 P HA 0.040 nan 4.420 nan 0.000 0.265 361 P C -0.805 176.572 177.300 0.128 0.000 1.187 361 P CA 0.412 63.528 63.100 0.026 0.000 0.766 361 P CB 0.677 32.346 31.700 -0.052 0.000 0.820 362 D N 2.530 123.008 120.400 0.129 0.000 2.497 362 D HA 0.372 5.012 4.640 -0.000 0.000 0.243 362 D C -2.230 174.134 176.300 0.107 0.000 1.039 362 D CA -1.989 52.084 54.000 0.121 0.000 1.052 362 D CB -0.324 40.544 40.800 0.114 0.000 1.344 362 D HN -0.008 nan 8.370 nan 0.000 0.553 363 P HA -0.100 nan 4.420 nan 0.000 0.216 363 P C 1.227 178.563 177.300 0.060 0.000 1.150 363 P CA 2.242 65.409 63.100 0.113 0.000 0.837 363 P CB -0.151 31.724 31.700 0.291 0.000 0.786 364 A N -0.460 122.423 122.820 0.105 0.000 2.125 364 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 364 A C 1.311 178.935 177.584 0.067 0.000 1.156 364 A CA 0.880 52.971 52.037 0.090 0.000 0.671 364 A CB -1.340 17.722 19.000 0.103 0.000 0.794 364 A HN 0.254 nan 8.150 nan 0.000 0.459 365 A N 0.657 123.515 122.820 0.063 0.000 2.498 365 A HA 0.303 4.623 4.320 -0.000 0.000 0.239 365 A C 0.504 178.087 177.584 -0.002 0.000 1.068 365 A CA -0.297 51.781 52.037 0.068 0.000 0.766 365 A CB -0.097 18.951 19.000 0.081 0.000 1.003 365 A HN 0.409 nan 8.150 nan 0.000 0.497 366 N N 3.026 121.754 118.700 0.045 0.000 2.405 366 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 366 N C -1.832 173.559 175.510 -0.199 0.000 1.152 366 N CA -1.823 51.226 53.050 -0.002 0.000 0.948 366 N CB 0.820 39.402 38.487 0.157 0.000 1.111 366 N HN 0.196 nan 8.380 nan 0.000 0.485 367 P HA -0.214 nan 4.420 nan 0.000 0.214 367 P C 0.708 177.304 177.300 -1.173 0.000 1.172 367 P CA 1.871 64.306 63.100 -1.109 0.000 0.925 367 P CB -0.077 30.914 31.700 -1.181 0.000 0.793 368 Y N -0.859 119.129 120.300 -0.519 0.000 2.014 368 Y HA -0.238 4.312 4.550 -0.000 0.000 0.272 368 Y C 2.526 178.341 175.900 -0.141 0.000 1.164 368 Y CA 0.995 58.919 58.100 -0.293 0.000 1.114 368 Y CB -1.442 36.934 38.460 -0.140 0.000 0.961 368 Y HN -0.143 nan 8.280 nan 0.000 0.489 369 L N -1.002 120.296 121.223 0.125 0.000 2.012 369 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 369 L C 2.797 179.760 176.870 0.156 0.000 1.073 369 L CA 1.493 56.446 54.840 0.189 0.000 0.748 369 L CB -1.106 41.046 42.059 0.155 0.000 0.891 369 L HN 0.507 nan 8.230 nan 0.000 0.431 370 C N 0.429 119.771 119.300 0.070 0.000 2.413 370 C HA -0.235 4.225 4.460 -0.000 0.000 0.277 370 C C 2.804 177.997 174.990 0.338 0.000 1.228 370 C CA 0.795 59.911 59.018 0.164 0.000 1.731 370 C CB -1.049 26.767 27.740 0.127 0.000 2.042 370 C HN 0.425 nan 8.230 nan 0.000 0.468 371 F N 1.299 121.225 119.950 -0.039 0.000 2.095 371 F HA -0.154 4.373 4.527 0.000 0.000 0.298 371 F C 2.778 178.601 175.800 0.039 0.000 1.104 371 F CA 0.969 58.834 58.000 -0.224 0.000 1.232 371 F CB -0.833 37.669 39.000 -0.829 0.000 0.987 371 F HN 0.362 nan 8.300 nan 0.000 0.475 372 A N 0.642 123.630 122.820 0.280 0.000 1.873 372 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 372 A C 2.373 180.138 177.584 0.301 0.000 1.193 372 A CA 2.147 54.359 52.037 0.291 0.000 0.629 372 A CB -1.353 17.836 19.000 0.313 0.000 0.826 372 A HN 0.369 nan 8.150 nan 0.000 0.447 373 A N -1.002 121.968 122.820 0.251 0.000 1.917 373 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 373 A C 2.066 179.837 177.584 0.312 0.000 1.182 373 A CA 1.922 54.060 52.037 0.167 0.000 0.633 373 A CB -0.567 18.489 19.000 0.094 0.000 0.819 373 A HN 0.424 nan 8.150 nan 0.000 0.448 374 L N -0.551 120.887 121.223 0.359 0.000 2.017 374 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 374 L C 2.462 179.517 176.870 0.308 0.000 1.073 374 L CA 1.535 56.596 54.840 0.368 0.000 0.745 374 L CB -1.043 41.311 42.059 0.491 0.000 0.894 374 L HN 0.476 nan 8.230 nan 0.000 0.432 375 L N -1.058 120.430 121.223 0.441 0.000 2.017 375 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 375 L C 2.421 179.423 176.870 0.220 0.000 1.073 375 L CA 1.771 56.856 54.840 0.408 0.000 0.745 375 L CB -0.343 42.003 42.059 0.479 0.000 0.894 375 L HN 0.284 nan 8.230 nan 0.000 0.432 376 M N -0.303 119.431 119.600 0.223 0.000 2.213 376 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 376 M C 2.369 178.854 176.300 0.308 0.000 1.062 376 M CA 1.603 57.018 55.300 0.190 0.000 1.105 376 M CB -1.473 31.158 32.600 0.051 0.000 1.385 376 M HN 0.370 nan 8.290 nan 0.000 0.417 377 A N 0.095 123.108 122.820 0.323 0.000 2.016 377 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 377 A C 2.420 179.953 177.584 -0.084 0.000 1.162 377 A CA 1.534 53.657 52.037 0.143 0.000 0.662 377 A CB -1.116 17.941 19.000 0.095 0.000 0.812 377 A HN 0.497 nan 8.150 nan 0.000 0.450 378 G N -0.068 108.497 108.800 -0.392 0.000 2.394 378 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.215 378 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.215 378 G C 1.518 176.236 174.900 -0.303 0.000 1.165 378 G CA 0.876 45.345 45.100 -1.053 0.000 0.784 378 G HN 0.404 nan 8.290 nan 0.000 0.535 379 L N 0.518 121.731 121.223 -0.017 0.000 2.046 379 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 379 L C 2.536 179.491 176.870 0.142 0.000 1.077 379 L CA 1.496 56.440 54.840 0.174 0.000 0.747 379 L CB -0.401 41.842 42.059 0.307 0.000 0.896 379 L HN 0.266 nan 8.230 nan 0.000 0.432 380 D N 0.298 120.781 120.400 0.138 0.000 2.218 380 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 380 D C 1.955 178.288 176.300 0.055 0.000 0.976 380 D CA 1.320 55.404 54.000 0.140 0.000 0.853 380 D CB 0.257 41.191 40.800 0.224 0.000 0.939 380 D HN 0.338 nan 8.370 nan 0.000 0.481 381 G N 0.643 109.446 108.800 0.004 0.000 2.448 381 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.218 381 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.218 381 G C 1.855 176.733 174.900 -0.037 0.000 1.135 381 G CA 0.064 45.142 45.100 -0.037 0.000 0.784 381 G HN 0.283 nan 8.290 nan 0.000 0.543 382 I N 0.000 120.580 120.570 0.016 0.000 2.235 382 I HA -0.052 4.118 4.170 -0.000 0.000 0.241 382 I C 2.772 178.813 176.117 -0.127 0.000 1.085 382 I CA 0.864 62.162 61.300 -0.003 0.000 1.378 382 I CB -0.109 37.973 38.000 0.137 0.000 1.076 382 I HN 0.054 nan 8.210 nan 0.000 0.415 383 K N 0.881 121.262 120.400 -0.031 0.000 2.001 383 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 383 K C 1.281 177.821 176.600 -0.101 0.000 1.050 383 K CA 1.768 58.034 56.287 -0.034 0.000 0.934 383 K CB -0.397 32.124 32.500 0.036 0.000 0.718 383 K HN 0.429 nan 8.250 nan 0.000 0.443 384 N N 1.391 120.031 118.700 -0.099 0.000 2.421 384 N HA -0.009 4.731 4.740 -0.000 0.000 0.201 384 N C -0.832 174.536 175.510 -0.237 0.000 1.198 384 N CA -0.055 52.923 53.050 -0.120 0.000 0.838 384 N CB 0.284 38.739 38.487 -0.053 0.000 1.011 384 N HN 0.076 nan 8.380 nan 0.000 0.463 385 K N 1.200 121.301 120.400 -0.498 0.000 3.356 385 K HA -0.194 4.126 4.320 -0.000 0.000 0.270 385 K C -0.289 176.078 176.600 -0.389 0.000 0.901 385 K CA 0.736 56.400 56.287 -1.038 0.000 0.688 385 K CB -1.646 30.427 32.500 -0.711 0.000 1.460 385 K HN 0.487 nan 8.250 nan 0.000 0.458 386 I N 1.731 122.210 120.570 -0.152 0.000 2.421 386 I HA 0.008 4.178 4.170 -0.000 0.000 0.291 386 I C 1.320 177.571 176.117 0.225 0.000 1.089 386 I CA -0.132 61.195 61.300 0.045 0.000 1.354 386 I CB 0.128 38.102 38.000 -0.043 0.000 1.413 386 I HN 0.130 nan 8.210 nan 0.000 0.513 387 H N 9.587 128.743 119.070 0.142 0.000 2.767 387 H HA 0.156 4.712 4.556 0.000 0.000 0.316 387 H C -1.433 173.894 175.328 -0.003 0.000 1.059 387 H CA -1.242 54.865 56.048 0.098 0.000 1.461 387 H CB 1.756 31.566 29.762 0.080 0.000 1.475 387 H HN 0.445 nan 8.280 nan 0.000 0.531 388 P HA 0.057 nan 4.420 nan 0.000 0.242 388 P C 0.722 178.039 177.300 0.029 0.000 1.197 388 P CA 0.805 63.753 63.100 -0.253 0.000 0.765 388 P CB 0.495 31.808 31.700 -0.644 0.000 0.936 389 G N 0.957 109.896 108.800 0.233 0.000 2.598 389 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 389 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 389 G C -0.721 174.342 174.900 0.273 0.000 1.302 389 G CA -0.530 44.742 45.100 0.287 0.000 0.903 389 G HN 0.233 nan 8.290 nan 0.000 0.575 390 E N 1.402 121.675 120.200 0.123 0.000 2.266 390 E HA 0.495 4.845 4.350 -0.000 0.000 0.277 390 E C -1.999 174.444 176.600 -0.263 0.000 1.018 390 E CA -1.553 54.834 56.400 -0.021 0.000 0.840 390 E CB 0.887 30.565 29.700 -0.037 0.000 1.082 390 E HN 0.277 nan 8.360 nan 0.000 0.395 391 P HA 0.077 nan 4.420 nan 0.000 0.269 391 P C -0.302 176.688 177.300 -0.517 0.000 1.209 391 P CA -0.008 62.419 63.100 -1.121 0.000 0.776 391 P CB 0.466 31.286 31.700 -1.467 0.000 0.876 392 M N 3.050 122.396 119.600 -0.423 0.000 2.108 392 M HA 0.109 4.589 4.480 -0.000 0.000 0.347 392 M C 0.205 176.412 176.300 -0.156 0.000 1.326 392 M CA 0.598 55.771 55.300 -0.213 0.000 1.126 392 M CB 0.022 32.531 32.600 -0.151 0.000 1.606 392 M HN 0.282 nan 8.290 nan 0.000 0.462 393 D N 1.567 121.904 120.400 -0.104 0.000 2.571 393 D HA 0.123 4.763 4.640 -0.000 0.000 0.239 393 D C 0.737 177.007 176.300 -0.050 0.000 1.267 393 D CA -0.044 53.921 54.000 -0.057 0.000 0.823 393 D CB 1.393 42.181 40.800 -0.020 0.000 1.056 393 D HN 0.362 nan 8.370 nan 0.000 0.494 394 K N 0.791 121.156 120.400 -0.060 0.000 2.894 394 K HA 0.275 4.595 4.320 -0.000 0.000 0.325 394 K C 0.258 176.825 176.600 -0.055 0.000 0.984 394 K CA -0.318 55.939 56.287 -0.050 0.000 1.266 394 K CB 0.260 32.733 32.500 -0.046 0.000 1.423 394 K HN -0.086 nan 8.250 nan 0.000 0.614 395 N N 0.175 118.845 118.700 -0.050 0.000 2.508 395 N HA 0.150 4.890 4.740 -0.000 0.000 0.285 395 N C 0.866 176.325 175.510 -0.084 0.000 1.144 395 N CA -0.274 52.743 53.050 -0.054 0.000 0.978 395 N CB 0.862 39.331 38.487 -0.031 0.000 1.180 395 N HN 0.342 nan 8.380 nan 0.000 0.484 396 L N -0.039 121.117 121.223 -0.113 0.000 1.877 396 L HA -0.069 4.271 4.340 -0.000 0.000 0.239 396 L C 0.855 177.577 176.870 -0.246 0.000 1.081 396 L CA 1.038 55.737 54.840 -0.235 0.000 0.878 396 L CB -0.692 41.241 42.059 -0.211 0.000 0.909 396 L HN 0.593 nan 8.230 nan 0.000 0.434 397 Y N -1.140 119.161 120.300 0.001 0.000 2.222 397 Y HA 0.072 4.622 4.550 -0.000 0.000 0.290 397 Y C 0.925 176.832 175.900 0.012 0.000 1.123 397 Y CA 0.863 58.968 58.100 0.009 0.000 1.120 397 Y CB 0.250 38.712 38.460 0.004 0.000 1.060 397 Y HN 0.404 nan 8.280 nan 0.000 0.508 398 D N -0.107 120.397 120.400 0.173 0.000 2.749 398 D HA 0.143 4.783 4.640 -0.000 0.000 0.338 398 D C 0.437 176.772 176.300 0.058 0.000 1.236 398 D CA 0.082 54.141 54.000 0.098 0.000 0.845 398 D CB 0.303 41.154 40.800 0.085 0.000 1.080 398 D HN 0.095 nan 8.370 nan 0.000 0.497 399 L N 0.659 121.908 121.223 0.043 0.000 2.500 399 L HA 0.368 4.708 4.340 -0.000 0.000 0.219 399 L C -1.119 175.761 176.870 0.017 0.000 1.057 399 L CA 0.368 55.222 54.840 0.023 0.000 0.854 399 L CB -0.956 41.109 42.059 0.010 0.000 1.078 399 L HN 0.035 nan 8.230 nan 0.000 0.480 400 P HA -0.113 nan 4.420 nan 0.000 0.213 400 P C -1.704 175.605 177.300 0.015 0.000 1.176 400 P CA 1.417 64.526 63.100 0.014 0.000 0.919 400 P CB -1.464 30.247 31.700 0.018 0.000 0.791 401 P HA -0.074 nan 4.420 nan 0.000 0.233 401 P C 0.635 177.942 177.300 0.013 0.000 1.576 401 P CA 0.719 63.829 63.100 0.018 0.000 0.962 401 P CB -1.153 30.560 31.700 0.022 0.000 1.859 402 E N 0.471 120.677 120.200 0.009 0.000 2.415 402 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 402 E C 0.815 177.418 176.600 0.004 0.000 1.007 402 E CA 0.614 57.018 56.400 0.006 0.000 0.890 402 E CB 0.298 30.000 29.700 0.003 0.000 0.891 402 E HN 0.356 nan 8.360 nan 0.000 0.496 403 E N 0.447 120.650 120.200 0.004 0.000 3.085 403 E HA 0.296 4.646 4.350 -0.000 0.000 0.179 403 E C -0.714 175.889 176.600 0.005 0.000 0.951 403 E CA 0.318 56.720 56.400 0.003 0.000 1.326 403 E CB 0.629 30.329 29.700 0.000 0.000 1.043 403 E HN 0.231 nan 8.360 nan 0.000 0.457 404 A N 2.319 125.143 122.820 0.008 0.000 2.046 404 A HA -0.205 4.115 4.320 -0.000 0.000 0.265 404 A C -0.015 177.575 177.584 0.010 0.000 1.343 404 A CA 0.801 52.845 52.037 0.011 0.000 0.749 404 A CB -0.934 18.072 19.000 0.010 0.000 1.171 404 A HN 0.190 nan 8.150 nan 0.000 0.316 405 K N 1.063 121.469 120.400 0.011 0.000 2.419 405 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 405 K C 0.600 177.207 176.600 0.012 0.000 1.056 405 K CA 0.510 56.802 56.287 0.008 0.000 1.035 405 K CB 0.403 32.907 32.500 0.006 0.000 0.921 405 K HN 0.783 nan 8.250 nan 0.000 0.472 406 E N 3.283 123.488 120.200 0.009 0.000 3.012 406 E HA 0.152 4.502 4.350 -0.000 0.000 0.228 406 E C 0.540 177.144 176.600 0.006 0.000 1.184 406 E CA -0.393 56.013 56.400 0.009 0.000 1.407 406 E CB -0.752 28.952 29.700 0.007 0.000 1.438 406 E HN 0.504 nan 8.360 nan 0.000 0.435 407 I N -2.068 118.506 120.570 0.006 0.000 2.945 407 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 407 I C -1.724 174.394 176.117 0.002 0.000 1.093 407 I CA -2.513 58.789 61.300 0.003 0.000 1.336 407 I CB 0.130 38.131 38.000 0.002 0.000 1.435 407 I HN -0.043 nan 8.210 nan 0.000 0.593 408 P HA 0.004 nan 4.420 nan 0.000 0.264 408 P C -1.222 176.071 177.300 -0.012 0.000 1.179 408 P CA 0.385 63.477 63.100 -0.013 0.000 0.763 408 P CB 0.689 32.375 31.700 -0.023 0.000 0.806 409 Q N 0.236 120.024 119.800 -0.020 0.000 2.456 409 Q HA 0.409 4.749 4.340 -0.000 0.000 0.284 409 Q C -0.379 175.590 176.000 -0.052 0.000 1.061 409 Q CA -1.272 54.519 55.803 -0.020 0.000 0.799 409 Q CB 2.508 31.253 28.738 0.012 0.000 1.445 409 Q HN 0.399 nan 8.270 nan 0.000 0.411 410 V N -0.508 119.357 119.914 -0.081 0.000 3.287 410 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 410 V C 0.362 176.452 176.094 -0.006 0.000 1.103 410 V CA -0.487 61.736 62.300 -0.129 0.000 1.159 410 V CB 0.046 31.755 31.823 -0.190 0.000 1.036 410 V HN 0.866 nan 8.190 nan 0.000 0.487 411 A N 2.812 125.650 122.820 0.031 0.000 2.565 411 A HA 0.425 4.745 4.320 -0.000 0.000 0.237 411 A C 1.539 179.158 177.584 0.059 0.000 1.053 411 A CA 0.429 52.493 52.037 0.046 0.000 0.755 411 A CB -0.281 18.758 19.000 0.065 0.000 0.980 411 A HN 1.751 nan 8.150 nan 0.000 0.506 412 G N 1.075 109.854 108.800 -0.035 0.000 2.464 412 G HA2 0.248 4.208 3.960 -0.000 0.000 0.217 412 G HA3 0.248 4.208 3.960 -0.000 0.000 0.217 412 G C 0.806 175.594 174.900 -0.187 0.000 1.138 412 G CA 1.230 46.313 45.100 -0.030 0.000 0.793 412 G HN 1.375 nan 8.290 nan 0.000 0.539 413 S N -1.561 113.863 115.700 -0.460 0.000 2.851 413 S HA 0.548 5.018 4.470 -0.000 0.000 0.313 413 S C 0.534 174.426 174.600 -1.180 0.000 1.163 413 S CA -0.517 57.249 58.200 -0.723 0.000 0.850 413 S CB 1.322 64.343 63.200 -0.297 0.000 1.245 413 S HN 0.029 nan 8.310 nan 0.000 0.558 414 L N 1.003 121.791 121.223 -0.725 0.000 2.168 414 L HA 0.359 4.699 4.340 -0.000 0.000 0.203 414 L C 2.488 179.289 176.870 -0.116 0.000 1.078 414 L CA 1.800 56.458 54.840 -0.303 0.000 0.780 414 L CB -0.952 41.141 42.059 0.056 0.000 0.939 414 L HN 0.989 nan 8.230 nan 0.000 0.451 415 E N -0.293 119.844 120.200 -0.104 0.000 2.097 415 E HA -0.334 4.015 4.350 -0.000 0.000 0.196 415 E C 1.987 178.561 176.600 -0.043 0.000 1.000 415 E CA 1.771 58.145 56.400 -0.045 0.000 0.804 415 E CB -0.076 29.597 29.700 -0.044 0.000 0.740 415 E HN 0.672 nan 8.360 nan 0.000 0.454 416 E N -0.012 120.134 120.200 -0.090 0.000 2.005 416 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 416 E C 2.024 178.610 176.600 -0.023 0.000 1.010 416 E CA 1.348 57.709 56.400 -0.065 0.000 0.825 416 E CB -0.322 29.317 29.700 -0.102 0.000 0.769 416 E HN 0.315 nan 8.360 nan 0.000 0.456 417 A N 0.989 123.793 122.820 -0.027 0.000 1.971 417 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 417 A C 2.250 179.890 177.584 0.094 0.000 1.182 417 A CA 1.728 53.809 52.037 0.074 0.000 0.649 417 A CB -0.815 18.301 19.000 0.194 0.000 0.818 417 A HN 0.378 nan 8.150 nan 0.000 0.458 418 L N -0.379 120.894 121.223 0.083 0.000 1.993 418 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 418 L C 2.717 179.628 176.870 0.069 0.000 1.074 418 L CA 1.594 56.495 54.840 0.102 0.000 0.746 418 L CB -0.763 41.355 42.059 0.097 0.000 0.896 418 L HN 0.676 nan 8.230 nan 0.000 0.435 419 N N 0.823 119.549 118.700 0.044 0.000 2.132 419 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 419 N C 1.722 177.254 175.510 0.036 0.000 1.015 419 N CA 1.737 54.807 53.050 0.033 0.000 0.864 419 N CB 0.108 38.605 38.487 0.018 0.000 1.006 419 N HN 0.341 nan 8.380 nan 0.000 0.430 420 A N 1.561 124.405 122.820 0.041 0.000 1.877 420 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 420 A C 2.308 179.930 177.584 0.064 0.000 1.186 420 A CA 1.280 53.347 52.037 0.050 0.000 0.620 420 A CB -0.894 18.137 19.000 0.052 0.000 0.822 420 A HN 0.398 nan 8.150 nan 0.000 0.443 421 L N 0.142 121.402 121.223 0.061 0.000 2.191 421 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 421 L C 1.880 178.756 176.870 0.010 0.000 1.103 421 L CA 2.682 57.542 54.840 0.032 0.000 0.769 421 L CB -0.536 41.526 42.059 0.005 0.000 0.908 421 L HN 0.470 nan 8.230 nan 0.000 0.438 422 D N -0.330 120.087 120.400 0.029 0.000 2.088 422 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 422 D C 2.021 178.333 176.300 0.020 0.000 0.992 422 D CA 2.337 56.352 54.000 0.024 0.000 0.831 422 D CB -0.237 40.582 40.800 0.033 0.000 0.973 422 D HN 0.428 nan 8.370 nan 0.000 0.447 423 L N 0.014 121.256 121.223 0.032 0.000 1.937 423 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 423 L C 1.862 178.764 176.870 0.053 0.000 1.077 423 L CA 1.403 56.265 54.840 0.037 0.000 0.758 423 L CB -0.903 41.179 42.059 0.039 0.000 0.888 423 L HN 0.065 nan 8.230 nan 0.000 0.433 424 D N 0.527 120.978 120.400 0.085 0.000 2.489 424 D HA -0.109 4.531 4.640 -0.000 0.000 0.264 424 D C 1.791 178.190 176.300 0.165 0.000 1.294 424 D CA 0.122 54.212 54.000 0.151 0.000 0.938 424 D CB 0.005 40.922 40.800 0.194 0.000 0.985 424 D HN 0.287 nan 8.370 nan 0.000 0.492 425 R N -0.582 119.939 120.500 0.033 0.000 2.280 425 R HA -0.012 4.328 4.340 -0.000 0.000 0.207 425 R C 1.236 177.448 176.300 -0.148 0.000 1.043 425 R CA 0.342 56.378 56.100 -0.107 0.000 1.006 425 R CB -0.049 30.194 30.300 -0.096 0.000 0.885 425 R HN -0.016 nan 8.270 nan 0.000 0.467 426 E N 1.748 121.945 120.200 -0.005 0.000 2.058 426 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 426 E C 1.755 178.332 176.600 -0.039 0.000 0.997 426 E CA 1.739 58.139 56.400 0.000 0.000 0.801 426 E CB -0.448 29.289 29.700 0.061 0.000 0.746 426 E HN 0.675 nan 8.360 nan 0.000 0.450 427 F N -0.415 119.410 119.950 -0.208 0.000 2.408 427 F HA -0.083 4.444 4.527 0.000 0.000 0.300 427 F C 1.730 177.391 175.800 -0.232 0.000 1.090 427 F CA 0.386 58.239 58.000 -0.245 0.000 1.427 427 F CB -0.140 38.575 39.000 -0.474 0.000 1.070 427 F HN -0.073 nan 8.300 nan 0.000 0.549 428 L N 1.122 121.732 121.223 -1.023 0.000 2.209 428 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 428 L C 2.146 178.854 176.870 -0.270 0.000 1.094 428 L CA 1.186 55.534 54.840 -0.820 0.000 0.790 428 L CB -1.165 40.203 42.059 -1.151 0.000 0.932 428 L HN 0.156 nan 8.230 nan 0.000 0.447 429 K N 0.006 120.279 120.400 -0.211 0.000 2.365 429 K HA 0.095 4.415 4.320 -0.000 0.000 0.199 429 K C 1.006 177.561 176.600 -0.075 0.000 1.045 429 K CA 0.343 56.583 56.287 -0.078 0.000 0.962 429 K CB -0.143 32.323 32.500 -0.057 0.000 0.759 429 K HN 0.241 nan 8.250 nan 0.000 0.469 430 A N 0.910 123.659 122.820 -0.118 0.000 2.555 430 A HA 0.278 4.598 4.320 -0.000 0.000 0.233 430 A C 1.372 178.862 177.584 -0.158 0.000 1.060 430 A CA 0.720 52.706 52.037 -0.084 0.000 0.759 430 A CB -0.597 18.334 19.000 -0.114 0.000 0.995 430 A HN 0.535 nan 8.150 nan 0.000 0.506 431 G N 0.622 109.509 108.800 0.144 0.000 2.200 431 G HA2 0.096 4.056 3.960 -0.000 0.000 0.267 431 G HA3 0.096 4.056 3.960 -0.000 0.000 0.267 431 G C 1.712 176.665 174.900 0.088 0.000 0.993 431 G CA 1.232 46.508 45.100 0.292 0.000 0.701 431 G HN 2.852 nan 8.290 nan 0.000 0.524 432 G N -2.376 106.433 108.800 0.014 0.000 2.225 432 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.267 432 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.267 432 G C 1.271 176.131 174.900 -0.066 0.000 1.024 432 G CA 1.068 46.158 45.100 -0.017 0.000 0.784 432 G HN 1.418 nan 8.290 nan 0.000 0.507 433 V N -1.110 118.744 119.914 -0.100 0.000 2.229 433 V HA 0.181 4.301 4.120 -0.000 0.000 0.243 433 V C 1.423 177.347 176.094 -0.284 0.000 1.042 433 V CA 1.694 63.889 62.300 -0.176 0.000 1.000 433 V CB -0.345 31.384 31.823 -0.157 0.000 0.637 433 V HN 0.320 nan 8.190 nan 0.000 0.446 434 F N 0.191 120.028 119.950 -0.189 0.000 2.421 434 F HA 0.502 5.029 4.527 -0.000 0.000 0.337 434 F C 0.582 176.292 175.800 -0.150 0.000 1.105 434 F CA -0.423 57.468 58.000 -0.181 0.000 1.049 434 F CB 1.569 40.430 39.000 -0.231 0.000 1.139 434 F HN 0.039 nan 8.300 nan 0.000 0.479 435 T N -1.258 113.313 114.554 0.028 0.000 2.952 435 T HA 0.260 4.610 4.350 -0.000 0.000 0.286 435 T C 0.690 175.404 174.700 0.022 0.000 1.024 435 T CA -0.826 61.272 62.100 -0.005 0.000 1.029 435 T CB 1.459 70.295 68.868 -0.054 0.000 1.094 435 T HN 0.512 nan 8.240 nan 0.000 0.515 436 D N 1.174 121.579 120.400 0.007 0.000 2.087 436 D HA -0.120 4.520 4.640 -0.000 0.000 0.192 436 D C 1.843 178.157 176.300 0.025 0.000 0.993 436 D CA 1.836 55.844 54.000 0.013 0.000 0.828 436 D CB -0.046 40.759 40.800 0.008 0.000 0.968 436 D HN 0.839 nan 8.370 nan 0.000 0.448 437 E N 1.513 121.723 120.200 0.017 0.000 2.204 437 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 437 E C 1.894 178.515 176.600 0.036 0.000 0.989 437 E CA 0.921 57.338 56.400 0.028 0.000 0.824 437 E CB -0.587 29.127 29.700 0.023 0.000 0.756 437 E HN 0.241 nan 8.360 nan 0.000 0.477 438 A N 1.302 124.128 122.820 0.009 0.000 1.877 438 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 438 A C 2.308 179.966 177.584 0.124 0.000 1.186 438 A CA 1.449 53.494 52.037 0.013 0.000 0.620 438 A CB -0.678 18.290 19.000 -0.054 0.000 0.822 438 A HN 0.261 nan 8.150 nan 0.000 0.443 439 I N -0.376 120.267 120.570 0.122 0.000 2.353 439 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 439 I C 1.594 177.787 176.117 0.127 0.000 1.119 439 I CA 1.208 62.575 61.300 0.111 0.000 1.417 439 I CB -0.390 37.624 38.000 0.023 0.000 1.078 439 I HN 0.272 nan 8.210 nan 0.000 0.421 440 D N 1.155 121.612 120.400 0.096 0.000 2.224 440 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 440 D C 2.220 178.589 176.300 0.115 0.000 0.965 440 D CA 1.285 55.340 54.000 0.091 0.000 0.852 440 D CB 0.110 40.947 40.800 0.061 0.000 0.947 440 D HN 0.327 nan 8.370 nan 0.000 0.494 441 A N 0.439 123.339 122.820 0.134 0.000 1.873 441 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 441 A C 2.156 179.844 177.584 0.173 0.000 1.186 441 A CA 0.964 53.088 52.037 0.144 0.000 0.616 441 A CB -1.028 18.068 19.000 0.159 0.000 0.823 441 A HN 0.253 nan 8.150 nan 0.000 0.442 442 Y N 0.647 121.004 120.300 0.096 0.000 2.081 442 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 442 Y C 2.072 178.018 175.900 0.078 0.000 1.163 442 Y CA 2.078 60.237 58.100 0.100 0.000 1.135 442 Y CB -0.342 38.185 38.460 0.112 0.000 0.970 442 Y HN 0.273 nan 8.280 nan 0.000 0.498 443 I N 0.050 120.802 120.570 0.302 0.000 2.194 443 I HA -0.407 3.763 4.170 -0.000 0.000 0.246 443 I C 2.666 178.829 176.117 0.076 0.000 1.093 443 I CA 1.328 62.740 61.300 0.188 0.000 1.355 443 I CB -0.798 37.293 38.000 0.152 0.000 1.046 443 I HN 0.376 nan 8.210 nan 0.000 0.413 444 A N 0.867 123.727 122.820 0.067 0.000 1.883 444 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 444 A C 2.314 179.901 177.584 0.005 0.000 1.186 444 A CA 1.498 53.558 52.037 0.038 0.000 0.624 444 A CB -0.849 18.181 19.000 0.050 0.000 0.822 444 A HN 0.375 nan 8.150 nan 0.000 0.444 445 L N -1.071 120.135 121.223 -0.028 0.000 1.994 445 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 445 L C 2.880 179.697 176.870 -0.088 0.000 1.071 445 L CA 1.336 56.134 54.840 -0.069 0.000 0.745 445 L CB -0.497 41.483 42.059 -0.132 0.000 0.892 445 L HN 0.285 nan 8.230 nan 0.000 0.431 446 R N -0.181 120.235 120.500 -0.141 0.000 2.120 446 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 446 R C 2.234 178.522 176.300 -0.019 0.000 1.123 446 R CA 0.817 56.858 56.100 -0.098 0.000 0.975 446 R CB -0.667 29.560 30.300 -0.121 0.000 0.866 446 R HN 0.322 nan 8.270 nan 0.000 0.446 447 R N 1.330 121.827 120.500 -0.004 0.000 2.096 447 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 447 R C 2.054 178.359 176.300 0.008 0.000 1.127 447 R CA 1.589 57.697 56.100 0.013 0.000 0.968 447 R CB -0.160 30.153 30.300 0.021 0.000 0.861 447 R HN 0.606 nan 8.270 nan 0.000 0.440 448 E N 0.132 120.332 120.200 0.000 0.000 2.158 448 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 448 E C 1.390 177.991 176.600 0.002 0.000 0.982 448 E CA 0.711 57.113 56.400 0.003 0.000 0.823 448 E CB -0.123 29.578 29.700 0.001 0.000 0.766 448 E HN 0.367 nan 8.360 nan 0.000 0.468 449 E N 1.211 121.408 120.200 -0.004 0.000 2.047 449 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 449 E C 1.741 178.350 176.600 0.015 0.000 0.987 449 E CA 1.441 57.842 56.400 0.000 0.000 0.799 449 E CB -0.123 29.573 29.700 -0.006 0.000 0.752 449 E HN 0.323 nan 8.360 nan 0.000 0.449 450 D N 0.829 121.242 120.400 0.022 0.000 2.149 450 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 450 D C 1.508 177.822 176.300 0.024 0.000 0.990 450 D CA 1.343 55.361 54.000 0.031 0.000 0.839 450 D CB 0.043 40.861 40.800 0.030 0.000 0.948 450 D HN 0.005 nan 8.370 nan 0.000 0.460 451 D N -0.231 120.180 120.400 0.018 0.000 2.104 451 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 451 D C 2.240 178.552 176.300 0.020 0.000 0.994 451 D CA 0.740 54.750 54.000 0.017 0.000 0.830 451 D CB -0.152 40.656 40.800 0.014 0.000 0.959 451 D HN 0.311 nan 8.370 nan 0.000 0.452 452 R N 0.376 120.887 120.500 0.019 0.000 2.080 452 R HA -0.102 4.238 4.340 -0.000 0.000 0.236 452 R C 2.445 178.762 176.300 0.028 0.000 1.137 452 R CA 0.966 57.078 56.100 0.021 0.000 0.943 452 R CB -0.767 29.541 30.300 0.014 0.000 0.846 452 R HN 0.152 nan 8.270 nan 0.000 0.431 453 V N 0.992 120.925 119.914 0.031 0.000 2.427 453 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 453 V C 2.375 178.502 176.094 0.056 0.000 1.051 453 V CA 1.605 63.933 62.300 0.047 0.000 1.048 453 V CB -0.544 31.312 31.823 0.055 0.000 0.666 453 V HN 0.302 nan 8.190 nan 0.000 0.456 454 R N -0.820 119.705 120.500 0.041 0.000 2.148 454 R HA 0.015 4.355 4.340 -0.000 0.000 0.227 454 R C 2.108 178.428 176.300 0.033 0.000 1.103 454 R CA 1.277 57.398 56.100 0.034 0.000 0.983 454 R CB -0.164 30.148 30.300 0.020 0.000 0.874 454 R HN 0.473 nan 8.270 nan 0.000 0.451 455 M N -1.016 118.604 119.600 0.033 0.000 2.516 455 M HA 0.045 4.525 4.480 -0.000 0.000 0.259 455 M C 0.282 176.609 176.300 0.044 0.000 1.146 455 M CA 0.526 55.845 55.300 0.031 0.000 1.122 455 M CB 0.763 33.378 32.600 0.025 0.000 1.341 455 M HN -0.186 nan 8.290 nan 0.000 0.478 456 T N 2.837 117.423 114.554 0.055 0.000 2.794 456 T HA 0.274 4.624 4.350 -0.000 0.000 0.296 456 T C -2.270 172.493 174.700 0.104 0.000 0.949 456 T CA -0.986 61.156 62.100 0.070 0.000 1.101 456 T CB 0.676 69.577 68.868 0.056 0.000 0.905 456 T HN -0.021 nan 8.240 nan 0.000 0.516 457 P HA 0.065 nan 4.420 nan 0.000 0.265 457 P C -0.618 176.835 177.300 0.256 0.000 1.187 457 P CA 0.009 63.223 63.100 0.190 0.000 0.766 457 P CB 0.299 32.162 31.700 0.272 0.000 0.820 458 H N 3.758 122.926 119.070 0.163 0.000 2.473 458 H HA 0.231 4.787 4.556 0.000 0.000 0.327 458 H C -1.563 173.932 175.328 0.279 0.000 1.105 458 H CA -1.960 54.185 56.048 0.162 0.000 1.280 458 H CB 1.174 30.991 29.762 0.091 0.000 1.450 458 H HN 0.295 nan 8.280 nan 0.000 0.492 459 P HA -0.261 nan 4.420 nan 0.000 0.216 459 P C 1.414 178.986 177.300 0.452 0.000 1.157 459 P CA 1.303 64.572 63.100 0.282 0.000 0.880 459 P CB 0.174 31.877 31.700 0.003 0.000 0.791 460 V N 0.097 120.332 119.914 0.535 0.000 2.568 460 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 460 V C 2.140 178.306 176.094 0.120 0.000 1.072 460 V CA 1.752 64.201 62.300 0.249 0.000 1.084 460 V CB -1.252 30.622 31.823 0.086 0.000 0.676 460 V HN 0.268 nan 8.190 nan 0.000 0.469 461 E N -0.503 119.812 120.200 0.192 0.000 2.204 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 461 E C 2.046 178.628 176.600 -0.031 0.000 0.990 461 E CA 1.294 57.745 56.400 0.086 0.000 0.821 461 E CB -0.199 29.531 29.700 0.050 0.000 0.750 461 E HN 0.659 nan 8.360 nan 0.000 0.477 462 F N 1.200 121.237 119.950 0.145 0.000 2.234 462 F HA -0.063 4.464 4.527 0.000 0.000 0.296 462 F C 2.458 178.307 175.800 0.082 0.000 1.089 462 F CA 0.942 59.034 58.000 0.153 0.000 1.343 462 F CB -0.221 38.831 39.000 0.087 0.000 1.040 462 F HN -0.020 nan 8.300 nan 0.000 0.498 463 E N 0.372 120.684 120.200 0.186 0.000 2.058 463 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 463 E C 2.028 178.599 176.600 -0.050 0.000 0.997 463 E CA 1.292 57.723 56.400 0.052 0.000 0.801 463 E CB -0.101 29.605 29.700 0.011 0.000 0.746 463 E HN 0.187 nan 8.360 nan 0.000 0.450 464 L N -0.514 120.582 121.223 -0.212 0.000 2.179 464 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 464 L C 1.287 177.843 176.870 -0.523 0.000 1.096 464 L CA 1.515 56.039 54.840 -0.526 0.000 0.779 464 L CB -0.295 41.124 42.059 -1.067 0.000 0.922 464 L HN 0.289 nan 8.230 nan 0.000 0.443 465 Y N -4.618 115.686 120.300 0.007 0.000 2.432 465 Y HA 0.084 4.634 4.550 -0.000 0.000 0.252 465 Y C 1.904 177.811 175.900 0.011 0.000 1.097 465 Y CA -1.041 57.045 58.100 -0.023 0.000 1.250 465 Y CB -0.700 37.703 38.460 -0.096 0.000 1.245 465 Y HN 0.005 nan 8.280 nan 0.000 0.522 466 Y N 1.250 121.610 120.300 0.100 0.000 2.151 466 Y HA -0.270 4.280 4.550 0.000 0.000 0.284 466 Y C 1.849 177.800 175.900 0.085 0.000 1.166 466 Y CA 2.135 60.303 58.100 0.113 0.000 1.163 466 Y CB -0.116 38.458 38.460 0.189 0.000 0.974 466 Y HN -0.064 nan 8.280 nan 0.000 0.511 467 S N -0.340 115.461 115.700 0.168 0.000 2.743 467 S HA 0.119 4.589 4.470 -0.000 0.000 0.230 467 S C 0.530 175.143 174.600 0.020 0.000 0.950 467 S CA -0.115 58.132 58.200 0.078 0.000 0.976 467 S CB -0.493 62.791 63.200 0.140 0.000 0.779 467 S HN 0.153 nan 8.310 nan 0.000 0.487 468 V N 0.000 119.919 119.914 0.009 0.000 2.409 468 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 468 V CA 0.000 62.309 62.300 0.015 0.000 1.235 468 V CB 0.000 31.846 31.823 0.037 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556