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 3l4g_1_J DATA FIRST_RESID 1 DATA SEQUENCE MPTVSVKRDL LFQALGRTYT DEEFDELCFE FGLELDEITS EKEIISKEQG DATA SEQUENCE NVKAAGASDV VLYKIDVPAN RYDLLCLEGL VRGLQVFKER IKAPVYKRVM DATA SEQUENCE PDGKIQKLII TEETAKIRPF AVAAVLRNIK FTKDRYDSFI ELQEKLHQNI DATA SEQUENCE CRKRALVAIG THDLDTLSGP FTYTAKRPSD IKFKPLNKTK EYTACELMNI DATA SEQUENCE YKTDNHLKHY LHIIENKPLY PVIYDSNGVV LSMPPIINGD HSRITVNTRN DATA SEQUENCE IFIECTGTDF TKAKIVLDII VTMFSEYCEN QFTVEAAEVV FPNGKSHTFP DATA SEQUENCE ELAYRKEMVR ADLINKKVGI RETPENLAKL LTRMYLKSEV IGDGNQIEIE DATA SEQUENCE IPPTRADIIH ACDIVEDAAI AYGYNNIQMT LPKTYTIANQ FPLNKLTELL DATA SEQUENCE RHDMAAAGFT EALTFALCSQ EDIADKLGVD ISATKAVHIS NPKTAEFQVA DATA SEQUENCE RTTLLPGLLK TIAANRKMPL PLKLFEISDI VIKDSNTDVG AKNYRHLCAV DATA SEQUENCE YYNKNPGFEI IHGLLDRIMQ LLDVPPGEDK GGYVIKASEG PAFFPGRCAE DATA SEQUENCE IFARGQSVGK LGVLHPDVIT KFELTMPCSS LEINIGPFL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 P HA 0.277 nan 4.420 nan 0.000 0.267 2 P C -0.586 176.731 177.300 0.028 0.000 1.209 2 P CA 0.572 63.686 63.100 0.023 0.000 0.763 2 P CB 0.940 32.658 31.700 0.029 0.000 0.816 3 T N 2.172 116.749 114.554 0.037 0.000 2.855 3 T HA 0.487 4.837 4.350 -0.000 0.000 0.281 3 T C -0.395 174.342 174.700 0.062 0.000 1.007 3 T CA -0.512 61.618 62.100 0.049 0.000 1.009 3 T CB 1.243 70.139 68.868 0.047 0.000 0.983 3 T HN -0.017 nan 8.240 nan 0.000 0.455 4 V N 2.566 122.529 119.914 0.081 0.000 2.482 4 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 4 V C -0.113 176.050 176.094 0.115 0.000 1.026 4 V CA -0.726 61.630 62.300 0.094 0.000 0.856 4 V CB 1.908 33.792 31.823 0.101 0.000 1.001 4 V HN 0.986 nan 8.190 nan 0.000 0.424 5 S N 4.017 119.777 115.700 0.100 0.000 2.537 5 S HA 0.714 5.184 4.470 -0.000 0.000 0.275 5 S C -0.259 174.401 174.600 0.099 0.000 1.272 5 S CA -0.501 57.760 58.200 0.102 0.000 1.050 5 S CB 1.443 64.687 63.200 0.075 0.000 0.961 5 S HN 0.870 nan 8.310 nan 0.000 0.496 6 V N 1.041 121.014 119.914 0.097 0.000 2.808 6 V HA 0.553 4.673 4.120 -0.000 0.000 0.308 6 V C -0.811 175.269 176.094 -0.022 0.000 1.099 6 V CA -1.321 61.019 62.300 0.066 0.000 0.920 6 V CB 1.504 33.394 31.823 0.111 0.000 1.014 6 V HN 0.726 nan 8.190 nan 0.000 0.425 7 K N 3.371 123.743 120.400 -0.047 0.000 2.395 7 K HA 0.146 4.466 4.320 -0.000 0.000 0.283 7 K C 1.191 177.640 176.600 -0.251 0.000 1.068 7 K CA 0.006 56.215 56.287 -0.129 0.000 1.039 7 K CB 0.846 33.296 32.500 -0.083 0.000 0.924 7 K HN 0.782 nan 8.250 nan 0.000 0.468 8 R N 3.073 123.297 120.500 -0.460 0.000 2.171 8 R HA -0.256 4.084 4.340 -0.000 0.000 0.232 8 R C 0.817 176.633 176.300 -0.806 0.000 1.116 8 R CA 2.530 58.123 56.100 -0.845 0.000 0.901 8 R CB -0.122 29.473 30.300 -1.175 0.000 0.850 8 R HN 0.643 nan 8.270 nan 0.000 0.431 9 D N 0.610 120.623 120.400 -0.645 0.000 2.191 9 D HA -0.251 4.389 4.640 -0.000 0.000 0.195 9 D C 1.894 178.061 176.300 -0.221 0.000 1.003 9 D CA 1.358 55.103 54.000 -0.425 0.000 0.867 9 D CB -0.350 40.297 40.800 -0.255 0.000 0.926 9 D HN 0.347 nan 8.370 nan 0.000 0.450 10 L N 0.012 121.129 121.223 -0.177 0.000 2.044 10 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 10 L C 2.423 179.291 176.870 -0.003 0.000 1.075 10 L CA 0.694 55.496 54.840 -0.063 0.000 0.747 10 L CB -0.185 41.849 42.059 -0.042 0.000 0.903 10 L HN 0.073 nan 8.230 nan 0.000 0.435 11 L N -0.646 120.566 121.223 -0.018 0.000 1.990 11 L HA -0.331 4.009 4.340 -0.000 0.000 0.213 11 L C 2.518 179.538 176.870 0.250 0.000 1.072 11 L CA 1.952 56.860 54.840 0.114 0.000 0.755 11 L CB -0.447 41.674 42.059 0.103 0.000 0.889 11 L HN 0.213 nan 8.230 nan 0.000 0.432 12 F N -0.336 119.561 119.950 -0.088 0.000 2.095 12 F HA -0.348 4.179 4.527 -0.000 0.000 0.298 12 F C 2.828 178.574 175.800 -0.090 0.000 1.104 12 F CA 1.361 59.293 58.000 -0.113 0.000 1.232 12 F CB -0.384 38.523 39.000 -0.155 0.000 0.987 12 F HN 0.290 nan 8.300 nan 0.000 0.475 13 Q N 0.779 120.661 119.800 0.136 0.000 2.096 13 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 13 Q C 2.306 178.342 176.000 0.059 0.000 0.982 13 Q CA 1.628 57.468 55.803 0.061 0.000 0.850 13 Q CB -0.244 28.511 28.738 0.028 0.000 0.901 13 Q HN 0.387 nan 8.270 nan 0.000 0.422 14 A N 0.611 123.479 122.820 0.080 0.000 1.908 14 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 14 A C 2.015 179.650 177.584 0.084 0.000 1.181 14 A CA 1.529 53.618 52.037 0.086 0.000 0.627 14 A CB -0.730 18.333 19.000 0.105 0.000 0.818 14 A HN 0.454 nan 8.150 nan 0.000 0.445 15 L N -2.032 119.247 121.223 0.094 0.000 2.023 15 L HA 0.137 4.477 4.340 -0.000 0.000 0.205 15 L C 1.790 178.673 176.870 0.022 0.000 1.073 15 L CA 1.012 55.899 54.840 0.078 0.000 0.745 15 L CB -0.567 41.559 42.059 0.112 0.000 0.900 15 L HN 0.634 nan 8.230 nan 0.000 0.435 16 G N 0.043 108.832 108.800 -0.018 0.000 2.186 16 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.130 16 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.130 16 G C -0.067 174.769 174.900 -0.108 0.000 1.031 16 G CA -0.502 44.575 45.100 -0.039 0.000 0.697 16 G HN 0.255 nan 8.290 nan 0.000 0.494 17 R N -1.428 118.944 120.500 -0.213 0.000 2.741 17 R HA 0.681 5.021 4.340 -0.000 0.000 0.274 17 R C -1.367 174.610 176.300 -0.538 0.000 1.029 17 R CA -0.318 55.551 56.100 -0.384 0.000 0.880 17 R CB 1.311 31.265 30.300 -0.575 0.000 1.264 17 R HN 0.263 nan 8.270 nan 0.000 0.465 18 T N 0.666 114.892 114.554 -0.547 0.000 2.824 18 T HA 0.634 4.984 4.350 -0.000 0.000 0.282 18 T C -1.554 172.765 174.700 -0.635 0.000 0.993 18 T CA -0.377 61.453 62.100 -0.450 0.000 0.967 18 T CB 0.474 69.309 68.868 -0.056 0.000 0.960 18 T HN 0.291 nan 8.240 nan 0.000 0.441 19 Y N 2.154 121.988 120.300 -0.775 0.000 2.429 19 Y HA 0.470 5.020 4.550 -0.000 0.000 0.342 19 Y C 1.198 177.097 175.900 -0.001 0.000 1.004 19 Y CA -1.011 56.853 58.100 -0.393 0.000 1.075 19 Y CB 1.651 39.836 38.460 -0.458 0.000 1.214 19 Y HN 0.582 nan 8.280 nan 0.000 0.455 20 T N 1.293 115.996 114.554 0.249 0.000 2.856 20 T HA -0.000 4.350 4.350 -0.000 0.000 0.306 20 T C 0.396 175.257 174.700 0.269 0.000 1.062 20 T CA -0.187 62.044 62.100 0.219 0.000 1.083 20 T CB 0.400 69.350 68.868 0.137 0.000 0.984 20 T HN 0.541 nan 8.240 nan 0.000 0.542 21 D N 0.612 121.160 120.400 0.247 0.000 2.392 21 D HA 0.007 4.647 4.640 -0.000 0.000 0.228 21 D C 1.524 177.901 176.300 0.128 0.000 1.003 21 D CA 0.737 54.879 54.000 0.237 0.000 0.917 21 D CB 0.189 41.115 40.800 0.210 0.000 0.890 21 D HN 0.462 nan 8.370 nan 0.000 0.532 22 E N -0.155 120.105 120.200 0.100 0.000 2.152 22 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 22 E C 1.688 178.294 176.600 0.011 0.000 0.934 22 E CA 0.286 56.705 56.400 0.032 0.000 0.869 22 E CB -0.012 29.698 29.700 0.017 0.000 0.842 22 E HN 0.192 nan 8.360 nan 0.000 0.472 23 E N -0.093 120.132 120.200 0.042 0.000 2.114 23 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 23 E C 1.674 178.197 176.600 -0.128 0.000 1.008 23 E CA 1.174 57.566 56.400 -0.014 0.000 0.810 23 E CB -0.173 29.577 29.700 0.083 0.000 0.739 23 E HN 0.159 nan 8.360 nan 0.000 0.456 24 F N 1.490 121.306 119.950 -0.223 0.000 2.219 24 F HA -0.085 4.442 4.527 -0.000 0.000 0.294 24 F C 1.991 177.666 175.800 -0.208 0.000 1.086 24 F CA 1.171 58.987 58.000 -0.306 0.000 1.330 24 F CB -0.003 38.918 39.000 -0.132 0.000 1.047 24 F HN -0.133 nan 8.300 nan 0.000 0.495 25 D N 0.350 120.704 120.400 -0.077 0.000 2.221 25 D HA -0.216 4.424 4.640 -0.000 0.000 0.204 25 D C 2.011 178.220 176.300 -0.152 0.000 0.982 25 D CA 1.178 55.101 54.000 -0.129 0.000 0.857 25 D CB -0.055 40.708 40.800 -0.061 0.000 0.934 25 D HN 0.346 nan 8.370 nan 0.000 0.475 26 E N 0.028 120.134 120.200 -0.157 0.000 2.016 26 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 26 E C 2.138 178.668 176.600 -0.116 0.000 0.985 26 E CA 0.327 56.650 56.400 -0.129 0.000 0.802 26 E CB -0.690 28.935 29.700 -0.126 0.000 0.762 26 E HN 0.183 nan 8.360 nan 0.000 0.448 27 L N 0.583 121.653 121.223 -0.255 0.000 2.051 27 L HA -0.254 4.086 4.340 -0.000 0.000 0.214 27 L C 2.158 178.871 176.870 -0.262 0.000 1.076 27 L CA 1.841 56.514 54.840 -0.279 0.000 0.758 27 L CB -1.062 40.690 42.059 -0.511 0.000 0.890 27 L HN 0.383 nan 8.230 nan 0.000 0.433 28 C N -0.702 118.351 119.300 -0.412 0.000 2.413 28 C HA -0.246 4.214 4.460 -0.000 0.000 0.278 28 C C 2.593 177.532 174.990 -0.085 0.000 1.224 28 C CA 0.998 59.838 59.018 -0.296 0.000 1.732 28 C CB -1.358 26.186 27.740 -0.327 0.000 2.050 28 C HN 0.620 nan 8.230 nan 0.000 0.463 29 F N 1.634 121.472 119.950 -0.186 0.000 2.065 29 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 29 F C 2.490 178.209 175.800 -0.134 0.000 1.112 29 F CA 2.340 60.255 58.000 -0.141 0.000 1.212 29 F CB -0.553 38.378 39.000 -0.116 0.000 0.975 29 F HN 0.324 nan 8.300 nan 0.000 0.476 30 E N -1.375 118.914 120.200 0.149 0.000 2.273 30 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 30 E C 1.304 177.905 176.600 0.001 0.000 1.002 30 E CA 1.107 57.575 56.400 0.113 0.000 0.828 30 E CB -0.325 29.494 29.700 0.198 0.000 0.747 30 E HN 0.449 nan 8.360 nan 0.000 0.491 31 F N -0.872 118.878 119.950 -0.333 0.000 2.698 31 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 31 F C 0.969 176.492 175.800 -0.461 0.000 1.108 31 F CA 0.665 58.313 58.000 -0.586 0.000 1.263 31 F CB 1.061 39.684 39.000 -0.627 0.000 1.013 31 F HN 0.079 nan 8.300 nan 0.000 0.532 32 G N 1.400 109.932 108.800 -0.447 0.000 2.159 32 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 32 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 32 G C 0.262 174.983 174.900 -0.297 0.000 0.977 32 G CA 0.526 45.355 45.100 -0.452 0.000 0.652 32 G HN 0.377 nan 8.290 nan 0.000 0.531 33 L N -0.664 120.445 121.223 -0.190 0.000 2.440 33 L HA 0.867 5.207 4.340 -0.000 0.000 0.262 33 L C 0.529 177.342 176.870 -0.095 0.000 1.072 33 L CA -0.872 53.904 54.840 -0.106 0.000 0.798 33 L CB 1.369 43.404 42.059 -0.040 0.000 1.307 33 L HN 0.225 nan 8.230 nan 0.000 0.475 34 E N 0.504 120.671 120.200 -0.056 0.000 2.311 34 E HA 0.239 4.589 4.350 -0.000 0.000 0.281 34 E C -1.550 175.043 176.600 -0.012 0.000 0.905 34 E CA -0.568 55.817 56.400 -0.026 0.000 0.778 34 E CB 2.075 31.767 29.700 -0.013 0.000 1.240 34 E HN 0.486 nan 8.360 nan 0.000 0.410 35 L N 5.258 126.468 121.223 -0.021 0.000 2.399 35 L HA 0.120 4.460 4.340 -0.000 0.000 0.257 35 L C 0.831 177.713 176.870 0.020 0.000 1.236 35 L CA -0.024 54.813 54.840 -0.006 0.000 1.144 35 L CB -0.062 41.959 42.059 -0.064 0.000 1.379 35 L HN 0.754 nan 8.230 nan 0.000 0.414 36 D N 2.210 122.634 120.400 0.040 0.000 2.154 36 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 36 D C 0.519 176.851 176.300 0.053 0.000 1.003 36 D CA 2.013 56.039 54.000 0.044 0.000 0.849 36 D CB 0.426 41.254 40.800 0.047 0.000 0.942 36 D HN 0.749 nan 8.370 nan 0.000 0.446 37 E N -1.827 118.418 120.200 0.076 0.000 2.416 37 E HA 0.426 4.776 4.350 -0.000 0.000 0.280 37 E C -1.212 175.472 176.600 0.141 0.000 1.055 37 E CA -0.822 55.630 56.400 0.088 0.000 0.825 37 E CB 0.877 30.620 29.700 0.072 0.000 1.312 37 E HN 0.048 nan 8.360 nan 0.000 0.452 38 I N 1.992 122.650 120.570 0.146 0.000 2.476 38 I HA 0.360 4.530 4.170 -0.000 0.000 0.281 38 I C -0.297 175.888 176.117 0.114 0.000 1.040 38 I CA -0.449 60.970 61.300 0.199 0.000 1.094 38 I CB 1.677 39.839 38.000 0.269 0.000 1.219 38 I HN 0.802 nan 8.210 nan 0.000 0.450 39 T N 1.088 115.693 114.554 0.084 0.000 2.676 39 T HA 0.661 5.011 4.350 -0.000 0.000 0.269 39 T C -0.038 174.674 174.700 0.020 0.000 0.952 39 T CA -0.649 61.479 62.100 0.047 0.000 1.040 39 T CB 1.927 70.820 68.868 0.042 0.000 1.352 39 T HN 0.330 nan 8.240 nan 0.000 0.554 40 S N -0.342 115.365 115.700 0.010 0.000 2.759 40 S HA 0.475 4.945 4.470 -0.000 0.000 0.310 40 S C 0.906 175.506 174.600 -0.000 0.000 1.123 40 S CA -0.823 57.374 58.200 -0.006 0.000 0.959 40 S CB 1.696 64.892 63.200 -0.007 0.000 1.172 40 S HN 0.764 nan 8.310 nan 0.000 0.539 41 E N 1.544 121.740 120.200 -0.006 0.000 2.072 41 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 41 E C 1.899 178.501 176.600 0.005 0.000 0.985 41 E CA 1.158 57.558 56.400 0.001 0.000 0.801 41 E CB -0.153 29.546 29.700 -0.002 0.000 0.750 41 E HN 0.679 nan 8.360 nan 0.000 0.452 42 K N 0.372 120.774 120.400 0.002 0.000 2.228 42 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 42 K C 1.807 178.412 176.600 0.008 0.000 1.051 42 K CA 0.826 57.115 56.287 0.005 0.000 0.960 42 K CB -0.099 32.403 32.500 0.003 0.000 0.743 42 K HN -0.025 nan 8.250 nan 0.000 0.458 43 E N 1.238 121.443 120.200 0.008 0.000 2.160 43 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 43 E C 1.957 178.566 176.600 0.015 0.000 0.991 43 E CA 1.287 57.694 56.400 0.012 0.000 0.810 43 E CB -0.251 29.459 29.700 0.015 0.000 0.742 43 E HN 0.390 nan 8.360 nan 0.000 0.466 44 I N 0.932 121.511 120.570 0.015 0.000 2.163 44 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 44 I C 2.026 178.151 176.117 0.014 0.000 1.085 44 I CA 1.171 62.481 61.300 0.017 0.000 1.347 44 I CB -0.199 37.811 38.000 0.017 0.000 1.044 44 I HN 0.093 nan 8.210 nan 0.000 0.408 45 I N 0.122 120.699 120.570 0.012 0.000 3.749 45 I HA -0.026 4.144 4.170 -0.000 0.000 0.314 45 I C 1.348 177.471 176.117 0.010 0.000 1.267 45 I CA 0.308 61.614 61.300 0.011 0.000 1.169 45 I CB -0.325 37.680 38.000 0.010 0.000 1.009 45 I HN 0.071 nan 8.210 nan 0.000 0.444 46 S N 0.617 116.324 115.700 0.011 0.000 2.593 46 S HA 0.125 4.595 4.470 -0.000 0.000 0.217 46 S C 1.489 176.095 174.600 0.011 0.000 0.966 46 S CA 0.366 58.572 58.200 0.010 0.000 0.914 46 S CB 0.085 63.291 63.200 0.011 0.000 0.776 46 S HN 0.473 nan 8.310 nan 0.000 0.523 47 K N 0.406 120.813 120.400 0.012 0.000 2.567 47 K HA 0.075 4.395 4.320 -0.000 0.000 0.218 47 K C 1.287 177.894 176.600 0.011 0.000 1.440 47 K CA 0.247 56.541 56.287 0.012 0.000 0.995 47 K CB 0.509 33.017 32.500 0.014 0.000 1.186 47 K HN 0.378 nan 8.250 nan 0.000 0.593 48 E N 0.746 120.953 120.200 0.011 0.000 2.474 48 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 48 E C 1.338 177.943 176.600 0.009 0.000 1.041 48 E CA 0.643 57.049 56.400 0.010 0.000 0.874 48 E CB 0.388 30.093 29.700 0.010 0.000 0.914 48 E HN 0.169 nan 8.360 nan 0.000 0.498 49 Q N -1.231 118.574 119.800 0.009 0.000 2.451 49 Q HA 0.271 4.611 4.340 -0.000 0.000 0.216 49 Q C 0.944 176.949 176.000 0.008 0.000 0.746 49 Q CA 0.334 56.142 55.803 0.008 0.000 0.940 49 Q CB 1.885 30.628 28.738 0.008 0.000 1.311 49 Q HN 0.287 nan 8.270 nan 0.000 0.481 50 G N 0.881 109.686 108.800 0.008 0.000 3.154 50 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.114 50 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.114 50 G C -0.040 174.864 174.900 0.007 0.000 2.421 50 G CA 0.272 45.377 45.100 0.008 0.000 1.271 50 G HN 0.074 nan 8.290 nan 0.000 0.371 51 N N 0.204 118.908 118.700 0.007 0.000 2.066 51 N HA 0.048 4.788 4.740 -0.000 0.000 0.223 51 N C 0.413 175.926 175.510 0.006 0.000 1.403 51 N CA 0.848 53.901 53.050 0.007 0.000 0.766 51 N CB 0.897 39.388 38.487 0.006 0.000 1.207 51 N HN 0.901 nan 8.380 nan 0.000 0.545 52 V N 1.194 121.111 119.914 0.006 0.000 2.071 52 V HA 0.291 4.411 4.120 -0.000 0.000 0.254 52 V C 1.164 177.261 176.094 0.006 0.000 1.456 52 V CA -0.564 61.740 62.300 0.006 0.000 1.383 52 V CB -0.985 30.842 31.823 0.006 0.000 1.433 52 V HN 0.095 nan 8.190 nan 0.000 0.499 53 K N 2.822 123.225 120.400 0.005 0.000 2.829 53 K HA 0.807 5.127 4.320 -0.000 0.000 0.302 53 K C 0.106 176.709 176.600 0.004 0.000 1.028 53 K CA -0.134 56.156 56.287 0.005 0.000 1.054 53 K CB 0.470 32.973 32.500 0.004 0.000 1.279 53 K HN 0.816 nan 8.250 nan 0.000 0.485 54 A N -0.307 122.515 122.820 0.003 0.000 2.512 54 A HA 0.522 4.842 4.320 -0.000 0.000 0.290 54 A C -1.491 176.094 177.584 0.000 0.000 1.041 54 A CA -0.557 51.481 52.037 0.002 0.000 0.911 54 A CB 1.133 20.135 19.000 0.003 0.000 1.407 54 A HN 0.768 nan 8.150 nan 0.000 0.398 55 A N 1.653 124.473 122.820 -0.001 0.000 2.249 55 A HA 0.925 5.245 4.320 -0.000 0.000 0.314 55 A C 0.807 178.388 177.584 -0.004 0.000 1.290 55 A CA 0.529 52.564 52.037 -0.003 0.000 0.893 55 A CB 0.429 19.427 19.000 -0.002 0.000 1.165 55 A HN 2.648 nan 8.150 nan 0.000 0.530 56 G N 0.724 109.521 108.800 -0.006 0.000 2.294 56 G HA2 0.467 4.427 3.960 -0.000 0.000 0.061 56 G HA3 0.467 4.427 3.960 -0.000 0.000 0.061 56 G C 0.204 175.097 174.900 -0.010 0.000 0.835 56 G CA 0.219 45.315 45.100 -0.007 0.000 1.182 56 G HN 1.697 nan 8.290 nan 0.000 0.449 57 A N 0.137 122.951 122.820 -0.009 0.000 3.159 57 A HA 0.711 5.031 4.320 -0.000 0.000 0.301 57 A C 0.528 178.105 177.584 -0.010 0.000 1.271 57 A CA 1.131 53.161 52.037 -0.012 0.000 0.998 57 A CB -0.305 18.689 19.000 -0.010 0.000 1.101 57 A HN 1.590 nan 8.150 nan 0.000 0.610 58 S N -0.021 115.673 115.700 -0.010 0.000 2.686 58 S HA 0.277 4.747 4.470 -0.000 0.000 0.223 58 S C -1.009 173.585 174.600 -0.010 0.000 0.885 58 S CA -0.143 58.053 58.200 -0.007 0.000 1.115 58 S CB 0.047 63.247 63.200 0.000 0.000 1.459 58 S HN 0.384 nan 8.310 nan 0.000 0.444 59 D N 1.199 121.588 120.400 -0.018 0.000 3.216 59 D HA 0.254 4.894 4.640 -0.000 0.000 0.348 59 D C -0.446 175.833 176.300 -0.034 0.000 1.407 59 D CA 0.060 54.048 54.000 -0.020 0.000 0.744 59 D CB 0.527 41.318 40.800 -0.015 0.000 1.264 59 D HN 0.225 nan 8.370 nan 0.000 0.543 60 V N 0.233 120.120 119.914 -0.045 0.000 2.837 60 V HA 0.504 4.624 4.120 -0.000 0.000 0.310 60 V C 0.782 176.822 176.094 -0.090 0.000 1.059 60 V CA -1.023 61.233 62.300 -0.074 0.000 1.004 60 V CB 1.832 33.602 31.823 -0.088 0.000 1.045 60 V HN 0.148 nan 8.190 nan 0.000 0.465 61 V N 2.935 122.768 119.914 -0.135 0.000 2.432 61 V HA 0.530 4.650 4.120 -0.000 0.000 0.271 61 V C -0.229 175.716 176.094 -0.248 0.000 1.046 61 V CA -0.369 61.834 62.300 -0.161 0.000 0.945 61 V CB 0.237 31.950 31.823 -0.183 0.000 0.992 61 V HN 0.728 nan 8.190 nan 0.000 0.471 62 L N 2.339 123.465 121.223 -0.162 0.000 2.354 62 L HA 0.763 5.103 4.340 -0.000 0.000 0.269 62 L C -1.123 175.731 176.870 -0.027 0.000 1.005 62 L CA -1.002 53.739 54.840 -0.165 0.000 0.819 62 L CB 1.712 43.734 42.059 -0.062 0.000 1.311 62 L HN 0.399 nan 8.230 nan 0.000 0.423 63 Y N 0.903 121.201 120.300 -0.002 0.000 2.304 63 Y HA 0.409 4.959 4.550 -0.000 0.000 0.328 63 Y C 0.153 176.106 175.900 0.087 0.000 1.123 63 Y CA -0.916 57.223 58.100 0.064 0.000 1.218 63 Y CB 1.367 39.893 38.460 0.111 0.000 1.207 63 Y HN 0.531 nan 8.280 nan 0.000 0.495 64 K N 4.153 124.713 120.400 0.266 0.000 2.296 64 K HA 0.445 4.765 4.320 -0.000 0.000 0.257 64 K C -1.147 175.546 176.600 0.155 0.000 1.088 64 K CA 0.088 56.476 56.287 0.167 0.000 0.980 64 K CB -0.428 32.145 32.500 0.121 0.000 1.430 64 K HN 0.567 nan 8.250 nan 0.000 0.441 65 I N 2.234 122.906 120.570 0.171 0.000 2.365 65 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 65 I C 0.027 176.196 176.117 0.087 0.000 1.004 65 I CA -0.678 60.708 61.300 0.142 0.000 1.311 65 I CB 1.399 39.518 38.000 0.197 0.000 1.401 65 I HN 0.502 nan 8.210 nan 0.000 0.491 66 D N 4.870 125.300 120.400 0.051 0.000 2.177 66 D HA 0.525 5.165 4.640 -0.000 0.000 0.247 66 D C -1.016 175.287 176.300 0.006 0.000 1.063 66 D CA -0.013 54.001 54.000 0.024 0.000 0.867 66 D CB 1.522 42.327 40.800 0.008 0.000 1.168 66 D HN 0.086 nan 8.370 nan 0.000 0.445 67 V N 4.635 124.548 119.914 -0.001 0.000 2.876 67 V HA 0.480 4.600 4.120 -0.000 0.000 0.312 67 V C -2.181 173.880 176.094 -0.055 0.000 1.085 67 V CA -1.711 60.575 62.300 -0.023 0.000 0.945 67 V CB 2.145 33.972 31.823 0.007 0.000 1.017 67 V HN 0.572 nan 8.190 nan 0.000 0.428 68 P HA 0.060 nan 4.420 nan 0.000 0.263 68 P C 0.332 177.555 177.300 -0.127 0.000 1.195 68 P CA 0.093 63.118 63.100 -0.126 0.000 0.762 68 P CB 0.974 32.567 31.700 -0.179 0.000 0.799 69 A N 3.385 126.148 122.820 -0.095 0.000 2.277 69 A HA -0.178 4.142 4.320 -0.000 0.000 0.208 69 A C 1.850 179.331 177.584 -0.172 0.000 1.202 69 A CA 1.085 53.078 52.037 -0.074 0.000 0.762 69 A CB -1.191 17.794 19.000 -0.025 0.000 0.770 69 A HN 0.509 nan 8.150 nan 0.000 0.487 70 N N -0.274 118.267 118.700 -0.265 0.000 2.322 70 N HA 0.028 4.768 4.740 -0.000 0.000 0.186 70 N C 0.254 175.352 175.510 -0.686 0.000 1.037 70 N CA 0.509 53.325 53.050 -0.391 0.000 0.869 70 N CB 0.011 38.345 38.487 -0.255 0.000 1.036 70 N HN 0.233 nan 8.380 nan 0.000 0.439 71 R N 0.686 120.908 120.500 -0.463 0.000 2.288 71 R HA 0.119 4.459 4.340 -0.000 0.000 0.330 71 R C 0.202 176.280 176.300 -0.369 0.000 1.069 71 R CA 0.189 56.046 56.100 -0.405 0.000 0.941 71 R CB -0.364 29.801 30.300 -0.225 0.000 0.998 71 R HN 0.450 nan 8.270 nan 0.000 0.452 72 Y N 0.302 120.557 120.300 -0.074 0.000 2.448 72 Y HA -0.064 4.486 4.550 -0.000 0.000 0.289 72 Y C 1.426 177.283 175.900 -0.073 0.000 1.114 72 Y CA 0.182 58.239 58.100 -0.072 0.000 1.235 72 Y CB 0.296 38.703 38.460 -0.087 0.000 1.045 72 Y HN 0.573 nan 8.280 nan 0.000 0.554 73 D N 0.723 121.140 120.400 0.029 0.000 2.348 73 D HA -0.071 4.569 4.640 -0.000 0.000 0.248 73 D C 0.440 176.749 176.300 0.015 0.000 1.142 73 D CA 0.743 54.731 54.000 -0.020 0.000 0.904 73 D CB -0.221 40.511 40.800 -0.113 0.000 0.901 73 D HN 0.415 nan 8.370 nan 0.000 0.523 74 L N 0.300 121.543 121.223 0.034 0.000 3.291 74 L HA 0.264 4.604 4.340 -0.000 0.000 0.307 74 L C 1.038 177.945 176.870 0.061 0.000 1.303 74 L CA -0.113 54.762 54.840 0.058 0.000 0.949 74 L CB 0.516 42.614 42.059 0.064 0.000 1.375 74 L HN -0.092 nan 8.230 nan 0.000 0.596 75 L N 0.109 121.368 121.223 0.061 0.000 2.728 75 L HA 0.219 4.559 4.340 -0.000 0.000 0.238 75 L C 0.419 177.333 176.870 0.072 0.000 1.143 75 L CA -0.103 54.776 54.840 0.065 0.000 0.937 75 L CB 0.417 42.513 42.059 0.062 0.000 1.225 75 L HN 0.502 nan 8.230 nan 0.000 0.507 76 C N -4.131 115.214 119.300 0.074 0.000 3.241 76 C HA 0.326 4.786 4.460 -0.000 0.000 0.312 76 C C 1.383 176.420 174.990 0.077 0.000 1.350 76 C CA -1.175 57.897 59.018 0.089 0.000 1.415 76 C CB 1.154 28.956 27.740 0.104 0.000 1.770 76 C HN 0.283 nan 8.230 nan 0.000 0.466 77 L N 0.916 122.193 121.223 0.091 0.000 2.046 77 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 77 L C 2.488 179.389 176.870 0.051 0.000 1.077 77 L CA 2.138 57.035 54.840 0.095 0.000 0.747 77 L CB -0.322 41.803 42.059 0.109 0.000 0.896 77 L HN 0.935 nan 8.230 nan 0.000 0.432 78 E N 0.298 120.478 120.200 -0.034 0.000 2.130 78 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 78 E C 1.987 178.558 176.600 -0.048 0.000 0.998 78 E CA 1.416 57.742 56.400 -0.125 0.000 0.806 78 E CB -0.707 28.717 29.700 -0.460 0.000 0.738 78 E HN 0.669 nan 8.360 nan 0.000 0.459 79 G N -0.145 108.640 108.800 -0.025 0.000 2.395 79 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 79 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 79 G C 1.393 176.343 174.900 0.083 0.000 1.177 79 G CA 0.318 45.438 45.100 0.033 0.000 0.794 79 G HN 0.114 nan 8.290 nan 0.000 0.532 80 L N 0.654 121.931 121.223 0.090 0.000 2.042 80 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 80 L C 3.083 180.005 176.870 0.087 0.000 1.076 80 L CA 0.956 55.859 54.840 0.105 0.000 0.749 80 L CB -0.659 41.487 42.059 0.146 0.000 0.893 80 L HN 0.091 nan 8.230 nan 0.000 0.432 81 V N -0.960 119.018 119.914 0.106 0.000 2.427 81 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 81 V C 2.706 178.848 176.094 0.079 0.000 1.051 81 V CA 1.733 64.097 62.300 0.107 0.000 1.048 81 V CB -0.524 31.367 31.823 0.113 0.000 0.666 81 V HN 0.395 nan 8.190 nan 0.000 0.456 82 R N 0.324 120.881 120.500 0.095 0.000 2.066 82 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 82 R C 2.332 178.703 176.300 0.118 0.000 1.131 82 R CA 1.668 57.841 56.100 0.123 0.000 0.955 82 R CB -0.917 29.501 30.300 0.198 0.000 0.851 82 R HN 0.495 nan 8.270 nan 0.000 0.432 83 G N 0.692 109.587 108.800 0.158 0.000 2.480 83 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 83 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 83 G C 1.392 176.196 174.900 -0.160 0.000 1.200 83 G CA 0.932 46.122 45.100 0.151 0.000 0.782 83 G HN 0.254 nan 8.290 nan 0.000 0.554 84 L N -0.178 120.858 121.223 -0.313 0.000 2.079 84 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 84 L C 3.018 179.829 176.870 -0.098 0.000 1.081 84 L CA 1.317 55.934 54.840 -0.372 0.000 0.752 84 L CB -0.414 41.510 42.059 -0.225 0.000 0.896 84 L HN 0.242 nan 8.230 nan 0.000 0.433 85 Q N -0.131 119.645 119.800 -0.040 0.000 2.050 85 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 85 Q C 2.159 178.130 176.000 -0.048 0.000 0.980 85 Q CA 1.680 57.475 55.803 -0.013 0.000 0.840 85 Q CB -0.183 28.560 28.738 0.008 0.000 0.898 85 Q HN 0.322 nan 8.270 nan 0.000 0.424 86 V N 0.125 119.984 119.914 -0.091 0.000 2.548 86 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 86 V C 1.872 177.935 176.094 -0.053 0.000 1.055 86 V CA 1.387 63.601 62.300 -0.143 0.000 1.065 86 V CB -0.705 30.902 31.823 -0.359 0.000 0.681 86 V HN 0.362 nan 8.190 nan 0.000 0.462 87 F N 1.739 121.588 119.950 -0.168 0.000 2.202 87 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 87 F C 1.875 177.628 175.800 -0.077 0.000 1.082 87 F CA 1.409 59.352 58.000 -0.096 0.000 1.313 87 F CB 0.027 38.904 39.000 -0.204 0.000 1.024 87 F HN 0.041 nan 8.300 nan 0.000 0.495 88 K N 1.462 121.761 120.400 -0.169 0.000 2.493 88 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 88 K C 0.105 176.617 176.600 -0.147 0.000 1.033 88 K CA 0.575 56.724 56.287 -0.229 0.000 1.161 88 K CB -0.989 31.448 32.500 -0.105 0.000 0.873 88 K HN 0.544 nan 8.250 nan 0.000 0.491 89 E N 0.225 120.346 120.200 -0.133 0.000 2.325 89 E HA -0.297 4.053 4.350 -0.000 0.000 0.232 89 E C 0.138 176.697 176.600 -0.069 0.000 1.276 89 E CA 0.659 57.000 56.400 -0.097 0.000 0.717 89 E CB -1.686 27.956 29.700 -0.097 0.000 1.192 89 E HN 0.320 nan 8.360 nan 0.000 0.380 90 R N 0.247 120.714 120.500 -0.055 0.000 2.310 90 R HA 0.412 4.752 4.340 -0.000 0.000 0.202 90 R C 1.026 177.309 176.300 -0.029 0.000 0.933 90 R CA 0.657 56.738 56.100 -0.032 0.000 1.054 90 R CB 0.511 30.805 30.300 -0.010 0.000 0.985 90 R HN 0.425 nan 8.270 nan 0.000 0.489 91 I N -0.182 120.361 120.570 -0.045 0.000 2.908 91 I HA 0.189 4.359 4.170 -0.000 0.000 0.300 91 I C -1.619 174.454 176.117 -0.074 0.000 1.385 91 I CA -1.006 60.267 61.300 -0.044 0.000 1.004 91 I CB 2.166 40.148 38.000 -0.030 0.000 1.309 91 I HN -0.168 nan 8.210 nan 0.000 0.449 92 K N 4.708 125.065 120.400 -0.070 0.000 2.218 92 K HA 0.641 4.961 4.320 -0.000 0.000 0.276 92 K C -0.278 176.241 176.600 -0.136 0.000 1.022 92 K CA -0.285 55.947 56.287 -0.093 0.000 0.946 92 K CB 1.420 33.878 32.500 -0.070 0.000 1.000 92 K HN 0.662 nan 8.250 nan 0.000 0.468 93 A N 5.549 128.261 122.820 -0.179 0.000 2.492 93 A HA 0.241 4.561 4.320 -0.000 0.000 0.254 93 A C -2.037 175.415 177.584 -0.220 0.000 1.091 93 A CA -1.128 50.770 52.037 -0.232 0.000 0.768 93 A CB -0.370 18.457 19.000 -0.288 0.000 1.028 93 A HN 0.646 nan 8.150 nan 0.000 0.498 94 P HA 0.319 nan 4.420 nan 0.000 0.274 94 P C -0.731 176.094 177.300 -0.791 0.000 1.231 94 P CA -0.153 62.535 63.100 -0.686 0.000 0.790 94 P CB 0.967 31.844 31.700 -1.372 0.000 0.951 95 V N 2.835 122.363 119.914 -0.644 0.000 2.483 95 V HA 0.253 4.373 4.120 -0.000 0.000 0.295 95 V C -0.398 175.410 176.094 -0.477 0.000 1.035 95 V CA -0.554 61.470 62.300 -0.460 0.000 0.896 95 V CB 0.551 32.250 31.823 -0.207 0.000 0.986 95 V HN 0.379 nan 8.190 nan 0.000 0.447 96 Y N 3.179 123.561 120.300 0.138 0.000 2.385 96 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 96 Y C 0.381 176.367 175.900 0.143 0.000 0.965 96 Y CA -0.688 57.516 58.100 0.174 0.000 1.180 96 Y CB 0.879 39.461 38.460 0.204 0.000 1.139 96 Y HN 0.504 nan 8.280 nan 0.000 0.502 97 K N 3.312 123.840 120.400 0.212 0.000 2.259 97 K HA 0.635 4.955 4.320 -0.000 0.000 0.252 97 K C -0.657 176.030 176.600 0.146 0.000 0.936 97 K CA -1.291 55.071 56.287 0.125 0.000 0.810 97 K CB 2.009 34.543 32.500 0.057 0.000 1.143 97 K HN 0.593 nan 8.250 nan 0.000 0.427 98 R N -0.047 120.524 120.500 0.118 0.000 2.346 98 R HA 0.453 4.793 4.340 -0.000 0.000 0.311 98 R C -0.392 175.960 176.300 0.086 0.000 0.983 98 R CA -0.767 55.401 56.100 0.112 0.000 0.880 98 R CB 0.805 31.170 30.300 0.108 0.000 1.100 98 R HN 0.390 nan 8.270 nan 0.000 0.453 99 V N 0.046 120.012 119.914 0.088 0.000 2.994 99 V HA 0.609 4.729 4.120 -0.000 0.000 0.318 99 V C -0.011 176.128 176.094 0.075 0.000 1.085 99 V CA -1.341 61.003 62.300 0.073 0.000 0.998 99 V CB 1.853 33.719 31.823 0.071 0.000 1.063 99 V HN 0.674 nan 8.190 nan 0.000 0.447 100 M N 3.521 123.161 119.600 0.066 0.000 2.249 100 M HA 0.529 5.009 4.480 -0.000 0.000 0.351 100 M C -2.087 174.254 176.300 0.068 0.000 1.180 100 M CA -2.092 53.249 55.300 0.068 0.000 1.127 100 M CB 0.597 33.231 32.600 0.058 0.000 1.546 100 M HN 0.690 nan 8.290 nan 0.000 0.461 101 P HA 0.267 nan 4.420 nan 0.000 0.297 101 P C -0.989 176.349 177.300 0.063 0.000 1.307 101 P CA -0.390 62.754 63.100 0.073 0.000 0.773 101 P CB 0.864 32.616 31.700 0.087 0.000 1.265 102 D N -0.403 120.032 120.400 0.059 0.000 2.522 102 D HA 0.279 4.919 4.640 -0.000 0.000 0.218 102 D C 1.389 177.718 176.300 0.050 0.000 1.149 102 D CA 0.357 54.387 54.000 0.049 0.000 0.981 102 D CB -0.209 40.618 40.800 0.044 0.000 1.041 102 D HN 0.703 nan 8.370 nan 0.000 0.518 103 G N 3.067 111.897 108.800 0.051 0.000 2.609 103 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.235 103 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.235 103 G C 0.790 175.725 174.900 0.059 0.000 1.177 103 G CA -0.088 45.042 45.100 0.049 0.000 0.707 103 G HN 0.476 nan 8.290 nan 0.000 0.513 104 K N 1.788 122.227 120.400 0.065 0.000 2.972 104 K HA 0.193 4.513 4.320 -0.000 0.000 0.257 104 K C 0.632 177.293 176.600 0.103 0.000 1.118 104 K CA -0.194 56.140 56.287 0.078 0.000 1.142 104 K CB -0.257 32.292 32.500 0.081 0.000 1.252 104 K HN 0.363 nan 8.250 nan 0.000 0.266 105 I N 2.846 123.475 120.570 0.099 0.000 2.566 105 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 105 I C 0.529 176.736 176.117 0.151 0.000 1.060 105 I CA 0.297 61.667 61.300 0.117 0.000 2.222 105 I CB -1.504 36.557 38.000 0.100 0.000 1.534 105 I HN 0.334 nan 8.210 nan 0.000 0.987 106 Q N 4.430 124.342 119.800 0.186 0.000 2.568 106 Q HA -0.110 4.230 4.340 -0.000 0.000 0.367 106 Q C 0.458 176.621 176.000 0.271 0.000 1.138 106 Q CA 1.072 57.031 55.803 0.261 0.000 1.109 106 Q CB 0.408 29.344 28.738 0.330 0.000 1.138 106 Q HN 0.655 nan 8.270 nan 0.000 0.419 107 K N 0.832 121.417 120.400 0.308 0.000 2.498 107 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 107 K C -1.290 175.512 176.600 0.336 0.000 0.933 107 K CA -0.969 55.481 56.287 0.271 0.000 0.806 107 K CB 1.674 34.285 32.500 0.185 0.000 1.301 107 K HN 0.414 nan 8.250 nan 0.000 0.432 108 L N 4.423 125.805 121.223 0.265 0.000 2.349 108 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 108 L C -1.423 175.537 176.870 0.150 0.000 0.996 108 L CA -0.804 54.186 54.840 0.250 0.000 0.825 108 L CB 1.472 43.660 42.059 0.214 0.000 1.243 108 L HN 0.736 nan 8.230 nan 0.000 0.412 109 I N 5.919 126.583 120.570 0.156 0.000 2.359 109 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 109 I C 0.414 176.597 176.117 0.109 0.000 0.987 109 I CA -0.609 60.755 61.300 0.107 0.000 1.225 109 I CB 1.589 39.651 38.000 0.102 0.000 1.366 109 I HN 0.510 nan 8.210 nan 0.000 0.466 110 I N 5.210 125.812 120.570 0.052 0.000 2.428 110 I HA 0.350 4.520 4.170 -0.000 0.000 0.296 110 I C 0.890 177.034 176.117 0.045 0.000 0.985 110 I CA -0.293 61.046 61.300 0.065 0.000 1.260 110 I CB 1.898 39.873 38.000 -0.040 0.000 1.389 110 I HN 0.692 nan 8.210 nan 0.000 0.484 111 T N 0.267 114.822 114.554 0.001 0.000 2.870 111 T HA 0.337 4.687 4.350 -0.000 0.000 0.277 111 T C 0.753 175.448 174.700 -0.008 0.000 1.000 111 T CA -0.649 61.452 62.100 0.002 0.000 0.982 111 T CB 1.834 70.692 68.868 -0.016 0.000 1.249 111 T HN 0.451 nan 8.240 nan 0.000 0.589 112 E N 0.407 120.608 120.200 0.002 0.000 2.072 112 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 112 E C 1.867 178.449 176.600 -0.030 0.000 0.982 112 E CA 1.018 57.419 56.400 0.002 0.000 0.803 112 E CB -0.305 29.403 29.700 0.013 0.000 0.755 112 E HN 0.694 nan 8.360 nan 0.000 0.453 113 E N 0.101 120.272 120.200 -0.048 0.000 2.455 113 E HA -0.101 4.249 4.350 -0.000 0.000 0.202 113 E C 1.698 178.228 176.600 -0.116 0.000 1.045 113 E CA 0.832 57.193 56.400 -0.066 0.000 0.872 113 E CB -0.313 29.350 29.700 -0.062 0.000 0.792 113 E HN 0.160 nan 8.360 nan 0.000 0.542 114 T N 0.510 114.972 114.554 -0.153 0.000 2.623 114 T HA -0.009 4.341 4.350 -0.000 0.000 0.254 114 T C 1.123 175.745 174.700 -0.130 0.000 1.075 114 T CA 0.882 62.846 62.100 -0.227 0.000 1.177 114 T CB -0.406 68.317 68.868 -0.243 0.000 0.869 114 T HN 0.268 nan 8.240 nan 0.000 0.403 115 A N 1.812 124.585 122.820 -0.078 0.000 2.888 115 A HA 0.169 4.489 4.320 -0.000 0.000 0.290 115 A C 0.895 178.439 177.584 -0.068 0.000 1.736 115 A CA 0.836 52.828 52.037 -0.076 0.000 1.244 115 A CB -0.888 18.097 19.000 -0.025 0.000 0.973 115 A HN 0.639 nan 8.150 nan 0.000 0.595 116 K N 0.123 120.475 120.400 -0.079 0.000 1.372 116 K HA -0.022 4.298 4.320 -0.000 0.000 0.094 116 K C -0.139 176.431 176.600 -0.050 0.000 2.226 116 K CA 0.531 56.786 56.287 -0.054 0.000 0.933 116 K CB -0.373 32.106 32.500 -0.034 0.000 2.473 116 K HN 0.537 nan 8.250 nan 0.000 0.332 117 I N -0.537 119.995 120.570 -0.065 0.000 4.738 117 I HA 0.188 4.358 4.170 -0.000 0.000 0.315 117 I C 0.040 176.134 176.117 -0.038 0.000 1.214 117 I CA -0.146 61.122 61.300 -0.055 0.000 1.337 117 I CB 0.655 38.615 38.000 -0.066 0.000 1.433 117 I HN -0.122 nan 8.210 nan 0.000 0.472 118 R N 0.301 120.781 120.500 -0.034 0.000 2.797 118 R HA 0.272 4.612 4.340 -0.000 0.000 0.230 118 R C -2.323 173.976 176.300 -0.002 0.000 1.591 118 R CA -1.081 55.040 56.100 0.036 0.000 1.501 118 R CB 0.453 30.861 30.300 0.180 0.000 1.524 118 R HN -0.041 nan 8.270 nan 0.000 0.711 119 P HA -0.255 nan 4.420 nan 0.000 0.224 119 P C 0.094 177.247 177.300 -0.244 0.000 1.130 119 P CA 1.961 64.802 63.100 -0.431 0.000 0.976 119 P CB 0.054 31.156 31.700 -0.997 0.000 0.781 120 F N -3.637 116.471 119.950 0.264 0.000 2.631 120 F HA 0.848 5.375 4.527 -0.000 0.000 0.328 120 F C -0.317 175.494 175.800 0.017 0.000 1.067 120 F CA -2.530 55.620 58.000 0.248 0.000 0.969 120 F CB 0.566 39.883 39.000 0.527 0.000 1.332 120 F HN -0.058 nan 8.300 nan 0.000 0.490 121 A N 0.322 123.165 122.820 0.038 0.000 2.609 121 A HA 0.850 5.170 4.320 -0.000 0.000 0.291 121 A C -1.954 175.339 177.584 -0.485 0.000 1.096 121 A CA -0.702 51.146 52.037 -0.315 0.000 0.684 121 A CB 1.769 20.360 19.000 -0.682 0.000 1.282 121 A HN 1.600 nan 8.150 nan 0.000 0.412 122 V N -0.643 118.923 119.914 -0.581 0.000 3.120 122 V HA 0.941 5.061 4.120 -0.000 0.000 0.303 122 V C -0.519 175.221 176.094 -0.591 0.000 1.238 122 V CA 0.396 62.225 62.300 -0.785 0.000 1.008 122 V CB 1.853 32.972 31.823 -1.174 0.000 1.064 122 V HN 2.555 nan 8.190 nan 0.000 0.434 123 A N 3.409 125.917 122.820 -0.520 0.000 2.533 123 A HA 1.145 5.465 4.320 -0.000 0.000 0.293 123 A C -0.504 176.905 177.584 -0.293 0.000 1.228 123 A CA -0.187 51.565 52.037 -0.475 0.000 0.689 123 A CB 1.539 20.159 19.000 -0.634 0.000 1.303 123 A HN 2.681 nan 8.150 nan 0.000 0.444 124 A N -1.605 120.987 122.820 -0.380 0.000 2.522 124 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 124 A C -1.054 176.423 177.584 -0.178 0.000 1.001 124 A CA 0.155 52.104 52.037 -0.146 0.000 0.642 124 A CB -0.078 18.909 19.000 -0.023 0.000 1.326 124 A HN 2.353 nan 8.150 nan 0.000 0.435 125 V N -1.197 118.719 119.914 0.003 0.000 3.001 125 V HA 0.926 5.046 4.120 -0.000 0.000 0.314 125 V C -0.501 175.645 176.094 0.087 0.000 1.099 125 V CA -0.796 61.541 62.300 0.061 0.000 0.989 125 V CB 1.648 33.577 31.823 0.177 0.000 1.040 125 V HN 1.630 nan 8.190 nan 0.000 0.434 126 L N 0.243 121.524 121.223 0.097 0.000 2.372 126 L HA 0.718 5.058 4.340 -0.000 0.000 0.273 126 L C -0.130 176.804 176.870 0.107 0.000 0.989 126 L CA -0.775 54.130 54.840 0.107 0.000 0.841 126 L CB 1.750 43.883 42.059 0.122 0.000 1.225 126 L HN 0.586 nan 8.230 nan 0.000 0.414 127 R N 3.314 123.874 120.500 0.100 0.000 2.442 127 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 127 R C -0.154 176.197 176.300 0.085 0.000 1.069 127 R CA 0.003 56.157 56.100 0.091 0.000 1.022 127 R CB 0.449 30.799 30.300 0.083 0.000 0.976 127 R HN 0.830 nan 8.270 nan 0.000 0.443 128 N N 2.245 120.994 118.700 0.082 0.000 2.614 128 N HA -0.232 4.508 4.740 -0.000 0.000 0.276 128 N C -0.445 175.120 175.510 0.092 0.000 1.119 128 N CA 0.795 53.892 53.050 0.078 0.000 0.742 128 N CB -0.909 37.614 38.487 0.061 0.000 0.900 128 N HN 0.516 nan 8.380 nan 0.000 0.549 129 I N 0.829 121.478 120.570 0.131 0.000 2.395 129 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 129 I C 1.044 177.255 176.117 0.156 0.000 1.023 129 I CA -0.383 61.010 61.300 0.154 0.000 1.350 129 I CB 0.879 39.020 38.000 0.234 0.000 1.409 129 I HN -0.156 nan 8.210 nan 0.000 0.507 130 K N 6.868 127.303 120.400 0.059 0.000 2.150 130 K HA 0.301 4.621 4.320 -0.000 0.000 0.261 130 K C -0.387 176.168 176.600 -0.076 0.000 1.127 130 K CA -0.184 56.111 56.287 0.014 0.000 0.989 130 K CB -0.006 32.475 32.500 -0.031 0.000 1.475 130 K HN 0.304 nan 8.250 nan 0.000 0.391 131 F N 0.286 120.189 119.950 -0.078 0.000 2.408 131 F HA 0.136 4.663 4.527 -0.000 0.000 0.303 131 F C 1.374 177.119 175.800 -0.092 0.000 1.268 131 F CA 0.673 58.625 58.000 -0.080 0.000 1.218 131 F CB 0.779 39.764 39.000 -0.025 0.000 1.283 131 F HN 0.184 nan 8.300 nan 0.000 0.545 132 T N -0.329 114.340 114.554 0.192 0.000 2.802 132 T HA 0.210 4.560 4.350 -0.000 0.000 0.311 132 T C 0.283 175.089 174.700 0.176 0.000 1.405 132 T CA -0.908 61.247 62.100 0.091 0.000 1.016 132 T CB 1.810 70.654 68.868 -0.040 0.000 1.352 132 T HN 0.323 nan 8.240 nan 0.000 0.498 133 K N 1.093 121.555 120.400 0.103 0.000 2.032 133 K HA -0.161 4.159 4.320 -0.000 0.000 0.218 133 K C 1.478 178.194 176.600 0.193 0.000 1.054 133 K CA 2.229 58.587 56.287 0.118 0.000 0.941 133 K CB -0.259 32.279 32.500 0.063 0.000 0.720 133 K HN 0.492 nan 8.250 nan 0.000 0.449 134 D N 0.252 120.737 120.400 0.142 0.000 2.085 134 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 134 D C 2.072 178.502 176.300 0.218 0.000 0.981 134 D CA 0.886 54.977 54.000 0.152 0.000 0.834 134 D CB -0.249 40.605 40.800 0.091 0.000 0.992 134 D HN 0.169 nan 8.370 nan 0.000 0.457 135 R N -0.014 120.585 120.500 0.165 0.000 2.133 135 R HA -0.219 4.121 4.340 -0.000 0.000 0.247 135 R C 2.362 178.901 176.300 0.397 0.000 1.151 135 R CA 1.226 57.443 56.100 0.196 0.000 0.971 135 R CB -0.563 29.605 30.300 -0.220 0.000 0.866 135 R HN 0.310 nan 8.270 nan 0.000 0.447 136 Y N 2.186 122.728 120.300 0.402 0.000 2.070 136 Y HA -0.228 4.322 4.550 -0.000 0.000 0.279 136 Y C 1.979 178.109 175.900 0.384 0.000 1.134 136 Y CA 1.688 60.135 58.100 0.578 0.000 1.113 136 Y CB -0.400 38.258 38.460 0.329 0.000 0.981 136 Y HN -0.008 nan 8.280 nan 0.000 0.487 137 D N -0.652 119.907 120.400 0.265 0.000 2.172 137 D HA -0.237 4.403 4.640 -0.000 0.000 0.196 137 D C 2.333 178.700 176.300 0.112 0.000 0.999 137 D CA 1.738 55.806 54.000 0.113 0.000 0.856 137 D CB -0.454 40.451 40.800 0.174 0.000 0.934 137 D HN 0.391 nan 8.370 nan 0.000 0.453 138 S N -0.345 115.497 115.700 0.237 0.000 2.368 138 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 138 S C 1.818 176.626 174.600 0.346 0.000 1.030 138 S CA 0.590 58.980 58.200 0.315 0.000 0.999 138 S CB -0.405 63.056 63.200 0.435 0.000 0.844 138 S HN 0.231 nan 8.310 nan 0.000 0.459 139 F N 1.730 121.731 119.950 0.084 0.000 2.171 139 F HA -0.012 4.515 4.527 0.000 0.000 0.300 139 F C 1.828 177.448 175.800 -0.300 0.000 1.090 139 F CA 1.221 58.928 58.000 -0.488 0.000 1.293 139 F CB -0.125 38.478 39.000 -0.661 0.000 1.013 139 F HN 0.222 nan 8.300 nan 0.000 0.486 140 I N 0.125 120.604 120.570 -0.152 0.000 2.286 140 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 140 I C 2.304 178.337 176.117 -0.139 0.000 1.104 140 I CA 1.151 62.323 61.300 -0.213 0.000 1.397 140 I CB -1.334 36.504 38.000 -0.270 0.000 1.072 140 I HN 0.159 nan 8.210 nan 0.000 0.417 141 E N 1.670 121.835 120.200 -0.057 0.000 2.023 141 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 141 E C 2.319 178.903 176.600 -0.027 0.000 1.003 141 E CA 1.414 57.811 56.400 -0.006 0.000 0.809 141 E CB -0.616 29.114 29.700 0.049 0.000 0.755 141 E HN 0.399 nan 8.360 nan 0.000 0.449 142 L N 0.250 121.455 121.223 -0.031 0.000 2.051 142 L HA -0.333 4.007 4.340 -0.000 0.000 0.214 142 L C 2.585 179.362 176.870 -0.155 0.000 1.076 142 L CA 2.060 56.869 54.840 -0.052 0.000 0.758 142 L CB -0.318 41.743 42.059 0.003 0.000 0.890 142 L HN 0.340 nan 8.230 nan 0.000 0.433 143 Q N -0.570 119.071 119.800 -0.264 0.000 2.061 143 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 143 Q C 2.172 178.088 176.000 -0.141 0.000 0.984 143 Q CA 2.038 57.656 55.803 -0.307 0.000 0.846 143 Q CB 0.019 28.562 28.738 -0.324 0.000 0.902 143 Q HN 0.496 nan 8.270 nan 0.000 0.421 144 E N 0.303 120.494 120.200 -0.015 0.000 2.047 144 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 144 E C 1.910 178.562 176.600 0.086 0.000 0.987 144 E CA 0.972 57.433 56.400 0.101 0.000 0.799 144 E CB -0.062 29.686 29.700 0.080 0.000 0.752 144 E HN 0.117 nan 8.360 nan 0.000 0.449 145 K N 0.885 121.302 120.400 0.028 0.000 2.015 145 K HA -0.189 4.131 4.320 -0.000 0.000 0.216 145 K C 1.973 178.586 176.600 0.022 0.000 1.052 145 K CA 1.564 57.870 56.287 0.031 0.000 0.937 145 K CB -0.372 32.142 32.500 0.023 0.000 0.719 145 K HN 0.098 nan 8.250 nan 0.000 0.446 146 L N -1.060 120.139 121.223 -0.041 0.000 2.627 146 L HA 0.177 4.517 4.340 -0.000 0.000 0.233 146 L C 1.638 178.459 176.870 -0.081 0.000 1.144 146 L CA 1.023 55.816 54.840 -0.078 0.000 0.892 146 L CB -0.685 41.281 42.059 -0.155 0.000 1.039 146 L HN 0.135 nan 8.230 nan 0.000 0.442 147 H N 1.835 120.884 119.070 -0.035 0.000 2.275 147 H HA 0.087 4.643 4.556 -0.000 0.000 0.315 147 H C 0.931 176.286 175.328 0.045 0.000 1.058 147 H CA 1.777 57.819 56.048 -0.010 0.000 1.387 147 H CB -0.187 29.573 29.762 -0.003 0.000 1.435 147 H HN 0.535 nan 8.280 nan 0.000 0.530 148 Q N 1.320 121.275 119.800 0.259 0.000 2.336 148 Q HA 0.110 4.450 4.340 -0.000 0.000 0.231 148 Q C 0.172 176.221 176.000 0.082 0.000 0.900 148 Q CA 0.272 56.171 55.803 0.160 0.000 0.966 148 Q CB -0.317 28.521 28.738 0.167 0.000 1.219 148 Q HN 0.432 nan 8.270 nan 0.000 0.412 149 N N -0.937 117.806 118.700 0.071 0.000 3.085 149 N HA 0.073 4.812 4.740 -0.000 0.000 0.270 149 N C 0.706 176.237 175.510 0.035 0.000 1.319 149 N CA 0.274 53.353 53.050 0.047 0.000 1.379 149 N CB -0.160 38.359 38.487 0.054 0.000 0.903 149 N HN 0.226 nan 8.380 nan 0.000 1.080 150 I N 1.307 121.883 120.570 0.010 0.000 2.676 150 I HA 0.064 4.234 4.170 -0.000 0.000 0.259 150 I C 1.013 177.091 176.117 -0.064 0.000 1.194 150 I CA 1.306 62.578 61.300 -0.046 0.000 1.473 150 I CB -0.052 37.804 38.000 -0.240 0.000 1.096 150 I HN 0.352 nan 8.210 nan 0.000 0.443 151 C N 1.173 120.457 119.300 -0.026 0.000 2.799 151 C HA 0.363 4.823 4.460 -0.000 0.000 0.267 151 C C 1.028 176.043 174.990 0.041 0.000 1.257 151 C CA -0.307 58.715 59.018 0.007 0.000 1.702 151 C CB -1.655 26.125 27.740 0.068 0.000 1.934 151 C HN 0.539 nan 8.230 nan 0.000 0.594 152 R N 0.570 121.092 120.500 0.035 0.000 3.084 152 R HA -0.171 4.169 4.340 -0.000 0.000 0.258 152 R C -0.162 176.155 176.300 0.028 0.000 0.914 152 R CA 0.131 56.244 56.100 0.022 0.000 0.646 152 R CB -1.401 28.907 30.300 0.013 0.000 1.330 152 R HN 0.441 nan 8.270 nan 0.000 0.465 153 K N 0.625 121.056 120.400 0.051 0.000 3.278 153 K HA -0.295 4.025 4.320 -0.000 0.000 0.270 153 K C 0.527 177.236 176.600 0.181 0.000 0.955 153 K CA 1.541 57.869 56.287 0.069 0.000 0.723 153 K CB -0.915 31.457 32.500 -0.213 0.000 1.382 153 K HN 0.740 nan 8.250 nan 0.000 0.461 154 R N -3.923 116.704 120.500 0.211 0.000 3.943 154 R HA -0.387 3.953 4.340 -0.000 0.000 0.459 154 R C 1.578 177.944 176.300 0.110 0.000 0.939 154 R CA 1.371 57.574 56.100 0.172 0.000 1.515 154 R CB -2.238 28.123 30.300 0.101 0.000 2.164 154 R HN 0.512 nan 8.270 nan 0.000 0.516 155 A N 1.055 123.925 122.820 0.083 0.000 1.896 155 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 155 A C 2.014 179.632 177.584 0.056 0.000 1.206 155 A CA 2.375 54.444 52.037 0.053 0.000 0.647 155 A CB -0.324 18.693 19.000 0.029 0.000 0.828 155 A HN 0.210 nan 8.150 nan 0.000 0.455 156 L N -1.901 119.356 121.223 0.057 0.000 2.130 156 L HA 0.164 4.504 4.340 -0.000 0.000 0.200 156 L C 0.446 177.354 176.870 0.063 0.000 1.075 156 L CA 0.805 55.684 54.840 0.064 0.000 0.768 156 L CB -0.406 41.684 42.059 0.051 0.000 0.933 156 L HN 0.142 nan 8.230 nan 0.000 0.451 157 V N -0.571 119.368 119.914 0.041 0.000 2.680 157 V HA 0.824 4.944 4.120 -0.000 0.000 0.309 157 V C -0.577 175.555 176.094 0.063 0.000 1.052 157 V CA -0.805 61.502 62.300 0.011 0.000 0.908 157 V CB 1.625 33.409 31.823 -0.065 0.000 1.001 157 V HN 0.121 nan 8.190 nan 0.000 0.431 158 A N 5.653 128.500 122.820 0.045 0.000 2.359 158 A HA 0.889 5.209 4.320 -0.000 0.000 0.303 158 A C -0.759 176.848 177.584 0.038 0.000 1.066 158 A CA -0.548 51.584 52.037 0.158 0.000 0.730 158 A CB 1.097 20.135 19.000 0.063 0.000 1.211 158 A HN 0.941 nan 8.150 nan 0.000 0.439 159 I N 0.339 120.947 120.570 0.062 0.000 2.412 159 I HA 0.875 5.045 4.170 -0.000 0.000 0.296 159 I C 0.183 176.239 176.117 -0.102 0.000 0.987 159 I CA -0.787 60.416 61.300 -0.161 0.000 1.180 159 I CB 2.155 39.935 38.000 -0.368 0.000 1.340 159 I HN 0.572 nan 8.210 nan 0.000 0.455 160 G N 3.485 112.165 108.800 -0.200 0.000 2.609 160 G HA2 0.597 4.557 3.960 -0.000 0.000 0.308 160 G HA3 0.597 4.557 3.960 -0.000 0.000 0.308 160 G C -0.626 173.983 174.900 -0.486 0.000 1.369 160 G CA -0.564 44.367 45.100 -0.281 0.000 0.958 160 G HN 0.784 nan 8.290 nan 0.000 0.499 161 T N -0.011 114.281 114.554 -0.437 0.000 2.771 161 T HA 0.652 5.002 4.350 -0.000 0.000 0.281 161 T C -0.586 173.888 174.700 -0.377 0.000 0.982 161 T CA -0.854 61.066 62.100 -0.300 0.000 0.978 161 T CB 1.654 70.548 68.868 0.044 0.000 0.930 161 T HN 0.514 nan 8.240 nan 0.000 0.447 162 H N 1.305 120.443 119.070 0.114 0.000 2.679 162 H HA 0.410 4.966 4.556 -0.000 0.000 0.367 162 H C -0.880 174.501 175.328 0.089 0.000 1.162 162 H CA -1.002 55.119 56.048 0.122 0.000 1.181 162 H CB 1.979 31.860 29.762 0.198 0.000 1.693 162 H HN 0.659 nan 8.280 nan 0.000 0.538 163 D N 2.635 123.137 120.400 0.171 0.000 2.483 163 D HA -0.018 4.622 4.640 -0.000 0.000 0.220 163 D C 1.124 177.470 176.300 0.077 0.000 1.173 163 D CA -0.362 53.678 54.000 0.067 0.000 0.964 163 D CB 0.197 40.995 40.800 -0.002 0.000 1.046 163 D HN 0.322 nan 8.370 nan 0.000 0.517 164 L N 3.219 124.520 121.223 0.129 0.000 2.357 164 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 164 L C 1.231 178.144 176.870 0.072 0.000 1.123 164 L CA 1.640 56.559 54.840 0.131 0.000 0.782 164 L CB -0.074 42.089 42.059 0.173 0.000 0.910 164 L HN 0.306 nan 8.230 nan 0.000 0.442 165 D N -1.388 119.035 120.400 0.039 0.000 2.363 165 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 165 D C 1.236 177.532 176.300 -0.006 0.000 0.994 165 D CA 1.217 55.229 54.000 0.020 0.000 0.890 165 D CB 0.044 40.852 40.800 0.014 0.000 0.906 165 D HN 0.514 nan 8.370 nan 0.000 0.530 166 T N -0.941 113.584 114.554 -0.048 0.000 3.268 166 T HA 0.475 4.825 4.350 -0.000 0.000 0.258 166 T C 0.042 174.630 174.700 -0.187 0.000 0.966 166 T CA -0.622 61.392 62.100 -0.144 0.000 0.952 166 T CB -0.705 67.982 68.868 -0.302 0.000 1.132 166 T HN -0.005 nan 8.240 nan 0.000 0.536 167 L N -3.171 118.032 121.223 -0.034 0.000 3.085 167 L HA 0.779 5.119 4.340 -0.000 0.000 0.242 167 L C -0.833 176.000 176.870 -0.062 0.000 0.985 167 L CA -0.891 53.943 54.840 -0.011 0.000 1.052 167 L CB 0.307 42.361 42.059 -0.010 0.000 1.495 167 L HN 0.290 nan 8.230 nan 0.000 0.409 168 S N -1.541 114.053 115.700 -0.178 0.000 2.672 168 S HA 0.970 5.440 4.470 -0.000 0.000 0.271 168 S C 0.068 174.422 174.600 -0.409 0.000 1.171 168 S CA -0.048 58.011 58.200 -0.236 0.000 0.817 168 S CB 0.867 64.004 63.200 -0.105 0.000 1.150 168 S HN 2.835 nan 8.310 nan 0.000 0.478 169 G N 0.759 109.368 108.800 -0.318 0.000 2.750 169 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 169 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 169 G C -3.079 171.527 174.900 -0.491 0.000 1.395 169 G CA -0.560 44.362 45.100 -0.297 0.000 0.918 169 G HN 0.759 nan 8.290 nan 0.000 0.594 170 P HA 0.146 nan 4.420 nan 0.000 0.261 170 P C 0.130 177.289 177.300 -0.235 0.000 1.158 170 P CA 0.637 63.660 63.100 -0.128 0.000 0.758 170 P CB 0.059 31.748 31.700 -0.018 0.000 0.763 171 F N 1.170 121.097 119.950 -0.038 0.000 2.378 171 F HA 0.473 5.000 4.527 -0.000 0.000 0.325 171 F C 1.182 177.016 175.800 0.057 0.000 1.097 171 F CA -0.037 57.950 58.000 -0.020 0.000 1.079 171 F CB 0.747 39.691 39.000 -0.094 0.000 1.240 171 F HN 0.055 nan 8.300 nan 0.000 0.519 172 T N 1.171 115.893 114.554 0.280 0.000 2.861 172 T HA 0.285 4.635 4.350 -0.000 0.000 0.287 172 T C -1.879 172.961 174.700 0.233 0.000 1.003 172 T CA -0.483 61.752 62.100 0.226 0.000 0.977 172 T CB 0.952 69.941 68.868 0.201 0.000 0.996 172 T HN 0.374 nan 8.240 nan 0.000 0.448 173 Y N 2.555 122.878 120.300 0.039 0.000 2.328 173 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 173 Y C 0.117 176.004 175.900 -0.022 0.000 0.966 173 Y CA -0.409 57.682 58.100 -0.015 0.000 1.136 173 Y CB 1.281 39.722 38.460 -0.032 0.000 1.170 173 Y HN 0.764 nan 8.280 nan 0.000 0.470 174 T N 3.426 117.760 114.554 -0.367 0.000 2.653 174 T HA 0.847 5.197 4.350 -0.000 0.000 0.306 174 T C -2.065 172.440 174.700 -0.325 0.000 1.426 174 T CA -0.110 61.779 62.100 -0.353 0.000 1.008 174 T CB 0.772 69.571 68.868 -0.116 0.000 1.692 174 T HN 0.933 nan 8.240 nan 0.000 0.483 175 A N 1.700 124.406 122.820 -0.190 0.000 2.381 175 A HA 0.822 5.142 4.320 -0.000 0.000 0.299 175 A C -0.919 176.645 177.584 -0.033 0.000 1.049 175 A CA -0.677 51.298 52.037 -0.104 0.000 0.715 175 A CB 1.270 20.212 19.000 -0.096 0.000 1.222 175 A HN 0.745 nan 8.150 nan 0.000 0.428 176 K N 0.769 121.168 120.400 -0.002 0.000 2.378 176 K HA 0.535 4.855 4.320 -0.000 0.000 0.244 176 K C -0.104 176.491 176.600 -0.009 0.000 1.039 176 K CA -1.053 55.237 56.287 0.005 0.000 0.863 176 K CB 1.995 34.507 32.500 0.020 0.000 1.326 176 K HN 0.743 nan 8.250 nan 0.000 0.460 177 R N 1.995 122.476 120.500 -0.032 0.000 2.698 177 R HA -0.009 4.331 4.340 -0.000 0.000 0.266 177 R C -1.555 174.627 176.300 -0.197 0.000 1.026 177 R CA -0.898 55.154 56.100 -0.080 0.000 1.102 177 R CB 0.326 30.590 30.300 -0.060 0.000 0.978 177 R HN 0.346 nan 8.270 nan 0.000 0.436 178 P HA -0.181 nan 4.420 nan 0.000 0.213 178 P C 0.208 177.327 177.300 -0.301 0.000 1.176 178 P CA 1.542 64.247 63.100 -0.659 0.000 0.919 178 P CB -0.204 31.011 31.700 -0.808 0.000 0.791 179 S N -0.381 115.203 115.700 -0.193 0.000 4.085 179 S HA 0.123 4.593 4.470 -0.000 0.000 0.189 179 S C 0.469 175.027 174.600 -0.070 0.000 1.392 179 S CA -0.260 57.879 58.200 -0.102 0.000 0.972 179 S CB -0.995 62.162 63.200 -0.072 0.000 1.482 179 S HN 0.156 nan 8.310 nan 0.000 0.446 180 D N 1.290 121.651 120.400 -0.065 0.000 2.848 180 D HA 0.139 4.779 4.640 -0.000 0.000 0.303 180 D C -0.530 175.770 176.300 0.001 0.000 1.665 180 D CA -0.065 53.917 54.000 -0.030 0.000 0.807 180 D CB 0.529 41.311 40.800 -0.031 0.000 1.288 180 D HN 0.711 nan 8.370 nan 0.000 0.441 181 I N -1.332 119.241 120.570 0.006 0.000 2.637 181 I HA 0.448 4.618 4.170 -0.000 0.000 0.285 181 I C -1.004 175.158 176.117 0.075 0.000 1.222 181 I CA -0.951 60.374 61.300 0.041 0.000 1.067 181 I CB 1.351 39.358 38.000 0.011 0.000 1.279 181 I HN -0.397 nan 8.210 nan 0.000 0.441 182 K N 5.052 125.505 120.400 0.088 0.000 2.154 182 K HA 0.692 5.012 4.320 -0.000 0.000 0.264 182 K C -1.193 175.558 176.600 0.252 0.000 1.008 182 K CA -0.020 56.347 56.287 0.133 0.000 0.937 182 K CB 1.235 33.782 32.500 0.078 0.000 1.002 182 K HN 0.632 nan 8.250 nan 0.000 0.469 183 F N 0.131 120.134 119.950 0.089 0.000 2.703 183 F HA 0.264 4.791 4.527 -0.000 0.000 0.308 183 F C -1.005 174.873 175.800 0.130 0.000 1.126 183 F CA -1.014 57.053 58.000 0.111 0.000 0.959 183 F CB 1.528 40.599 39.000 0.119 0.000 1.297 183 F HN 0.144 nan 8.300 nan 0.000 0.441 184 K N 6.033 126.573 120.400 0.234 0.000 2.606 184 K HA 0.325 4.645 4.320 -0.000 0.000 0.196 184 K C -2.783 173.628 176.600 -0.315 0.000 1.048 184 K CA -2.120 54.167 56.287 -0.001 0.000 1.017 184 K CB 1.079 33.637 32.500 0.096 0.000 1.413 184 K HN 0.232 nan 8.250 nan 0.000 0.568 185 P HA -0.080 nan 4.420 nan 0.000 0.268 185 P C 1.414 178.598 177.300 -0.194 0.000 1.208 185 P CA -0.517 62.264 63.100 -0.530 0.000 0.777 185 P CB 0.848 32.328 31.700 -0.367 0.000 0.875 186 L N 2.588 123.729 121.223 -0.135 0.000 2.156 186 L HA -0.248 4.092 4.340 -0.000 0.000 0.248 186 L C 1.250 178.110 176.870 -0.016 0.000 1.108 186 L CA 2.100 56.914 54.840 -0.043 0.000 0.842 186 L CB -2.289 39.749 42.059 -0.035 0.000 0.950 186 L HN 0.567 nan 8.230 nan 0.000 0.441 187 N N 0.070 118.766 118.700 -0.008 0.000 3.271 187 N HA 0.112 4.852 4.740 -0.000 0.000 0.303 187 N C -0.729 174.793 175.510 0.019 0.000 1.415 187 N CA -0.108 52.950 53.050 0.013 0.000 1.159 187 N CB 0.225 38.724 38.487 0.021 0.000 1.432 187 N HN 0.180 nan 8.380 nan 0.000 0.521 188 K N -0.254 120.156 120.400 0.017 0.000 2.471 188 K HA 0.178 4.498 4.320 -0.000 0.000 0.252 188 K C 0.872 177.533 176.600 0.102 0.000 0.938 188 K CA -0.627 55.682 56.287 0.036 0.000 0.796 188 K CB 1.667 34.150 32.500 -0.027 0.000 1.161 188 K HN -0.114 nan 8.250 nan 0.000 0.425 189 T N 1.508 116.138 114.554 0.127 0.000 2.555 189 T HA -0.156 4.194 4.350 -0.000 0.000 0.264 189 T C 0.799 175.567 174.700 0.113 0.000 1.083 189 T CA 1.848 64.015 62.100 0.112 0.000 1.179 189 T CB 0.082 69.012 68.868 0.103 0.000 0.863 189 T HN 0.486 nan 8.240 nan 0.000 0.412 190 K N 0.400 120.895 120.400 0.158 0.000 2.958 190 K HA 0.369 4.689 4.320 -0.000 0.000 0.304 190 K C 0.143 176.744 176.600 0.002 0.000 0.995 190 K CA -0.348 55.917 56.287 -0.037 0.000 1.492 190 K CB 0.121 32.408 32.500 -0.355 0.000 1.842 190 K HN 0.388 nan 8.250 nan 0.000 0.725 191 E N 0.523 120.588 120.200 -0.225 0.000 2.302 191 E HA 0.203 4.553 4.350 -0.000 0.000 0.263 191 E C -1.628 174.870 176.600 -0.170 0.000 0.897 191 E CA -0.363 56.016 56.400 -0.036 0.000 0.809 191 E CB 0.623 30.315 29.700 -0.013 0.000 1.270 191 E HN 0.292 nan 8.360 nan 0.000 0.410 192 Y N 0.900 121.210 120.300 0.017 0.000 2.654 192 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 192 Y C 0.806 176.740 175.900 0.056 0.000 1.174 192 Y CA -0.925 57.179 58.100 0.007 0.000 1.293 192 Y CB 1.031 39.460 38.460 -0.053 0.000 1.464 192 Y HN 0.287 nan 8.280 nan 0.000 0.559 193 T N -0.273 114.405 114.554 0.207 0.000 2.944 193 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 193 T C 1.010 175.770 174.700 0.099 0.000 1.010 193 T CA -0.087 62.085 62.100 0.119 0.000 1.025 193 T CB 1.553 70.448 68.868 0.045 0.000 1.079 193 T HN 0.763 nan 8.240 nan 0.000 0.516 194 A N 0.266 123.116 122.820 0.050 0.000 1.845 194 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 194 A C 2.495 180.039 177.584 -0.066 0.000 1.195 194 A CA 1.697 53.745 52.037 0.018 0.000 0.616 194 A CB -1.338 17.600 19.000 -0.102 0.000 0.832 194 A HN 0.925 nan 8.150 nan 0.000 0.443 195 C N -0.165 119.044 119.300 -0.151 0.000 2.400 195 C HA -0.102 4.358 4.460 -0.000 0.000 0.291 195 C C 2.468 177.428 174.990 -0.050 0.000 1.372 195 C CA 1.560 60.498 59.018 -0.133 0.000 1.800 195 C CB -1.401 26.264 27.740 -0.124 0.000 1.869 195 C HN 0.754 nan 8.230 nan 0.000 0.533 196 E N -0.674 119.514 120.200 -0.021 0.000 2.166 196 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 196 E C 2.163 178.711 176.600 -0.087 0.000 0.967 196 E CA 0.332 56.729 56.400 -0.005 0.000 0.840 196 E CB -0.127 29.617 29.700 0.074 0.000 0.795 196 E HN 0.660 nan 8.360 nan 0.000 0.470 197 L N 0.588 121.733 121.223 -0.129 0.000 2.027 197 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 197 L C 2.653 179.345 176.870 -0.295 0.000 1.074 197 L CA 0.760 55.362 54.840 -0.396 0.000 0.745 197 L CB -0.413 41.473 42.059 -0.288 0.000 0.898 197 L HN 0.299 nan 8.230 nan 0.000 0.433 198 M N 0.625 120.214 119.600 -0.018 0.000 2.147 198 M HA -0.288 4.192 4.480 -0.000 0.000 0.253 198 M C 2.002 178.327 176.300 0.041 0.000 1.075 198 M CA 2.201 57.547 55.300 0.076 0.000 1.085 198 M CB -1.544 31.103 32.600 0.079 0.000 1.305 198 M HN 0.544 nan 8.290 nan 0.000 0.409 199 N N 1.042 119.736 118.700 -0.009 0.000 2.415 199 N HA -0.063 4.677 4.740 -0.000 0.000 0.176 199 N C 1.459 176.951 175.510 -0.030 0.000 1.042 199 N CA 1.139 54.194 53.050 0.009 0.000 0.902 199 N CB -0.775 37.721 38.487 0.014 0.000 0.986 199 N HN 0.591 nan 8.380 nan 0.000 0.447 200 I N -3.018 117.466 120.570 -0.143 0.000 3.291 200 I HA 0.051 4.221 4.170 -0.000 0.000 0.279 200 I C 1.346 177.375 176.117 -0.147 0.000 1.294 200 I CA 0.491 61.671 61.300 -0.201 0.000 1.428 200 I CB -0.541 37.234 38.000 -0.374 0.000 1.070 200 I HN -0.068 nan 8.210 nan 0.000 0.478 201 Y N 0.957 121.226 120.300 -0.052 0.000 2.509 201 Y HA 0.235 4.785 4.550 -0.000 0.000 0.270 201 Y C 1.967 177.852 175.900 -0.026 0.000 1.103 201 Y CA -0.374 57.697 58.100 -0.047 0.000 1.278 201 Y CB 0.163 38.596 38.460 -0.045 0.000 1.087 201 Y HN 0.047 nan 8.280 nan 0.000 0.542 202 K N 0.082 120.568 120.400 0.142 0.000 2.520 202 K HA -0.138 4.182 4.320 -0.000 0.000 0.197 202 K C 1.518 178.149 176.600 0.052 0.000 1.044 202 K CA 1.699 58.040 56.287 0.090 0.000 0.938 202 K CB -0.260 32.291 32.500 0.085 0.000 0.767 202 K HN 0.349 nan 8.250 nan 0.000 0.481 203 T N -2.963 111.628 114.554 0.063 0.000 3.010 203 T HA 0.014 4.364 4.350 -0.000 0.000 0.257 203 T C 0.430 175.158 174.700 0.046 0.000 1.020 203 T CA -0.430 61.695 62.100 0.041 0.000 0.938 203 T CB 0.217 69.106 68.868 0.034 0.000 1.049 203 T HN -0.098 nan 8.240 nan 0.000 0.522 204 D N 2.601 123.047 120.400 0.077 0.000 2.359 204 D HA 0.132 4.772 4.640 -0.000 0.000 0.250 204 D C 0.678 176.993 176.300 0.024 0.000 1.264 204 D CA -0.104 53.936 54.000 0.067 0.000 0.911 204 D CB 0.404 41.253 40.800 0.082 0.000 1.056 204 D HN 0.118 nan 8.370 nan 0.000 0.499 205 N N 2.501 121.223 118.700 0.036 0.000 2.144 205 N HA -0.269 4.471 4.740 -0.000 0.000 0.195 205 N C 1.425 176.996 175.510 0.101 0.000 1.006 205 N CA 1.219 54.291 53.050 0.037 0.000 0.880 205 N CB -0.284 38.234 38.487 0.052 0.000 1.018 205 N HN 0.700 nan 8.380 nan 0.000 0.443 206 H N -0.125 118.956 119.070 0.019 0.000 2.294 206 H HA 0.072 4.628 4.556 -0.000 0.000 0.306 206 H C 1.569 176.989 175.328 0.153 0.000 1.065 206 H CA 0.622 56.725 56.048 0.092 0.000 1.343 206 H CB 0.189 29.970 29.762 0.032 0.000 1.396 206 H HN -0.018 nan 8.280 nan 0.000 0.506 207 L N 1.424 122.665 121.223 0.031 0.000 2.552 207 L HA -0.027 4.313 4.340 -0.000 0.000 0.227 207 L C 2.258 179.134 176.870 0.010 0.000 1.146 207 L CA 0.732 55.552 54.840 -0.033 0.000 0.858 207 L CB -0.337 41.470 42.059 -0.420 0.000 0.969 207 L HN 0.236 nan 8.230 nan 0.000 0.451 208 K N -0.635 119.705 120.400 -0.100 0.000 2.242 208 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 208 K C 1.750 178.205 176.600 -0.242 0.000 1.045 208 K CA 1.476 57.641 56.287 -0.203 0.000 0.930 208 K CB 0.024 32.317 32.500 -0.345 0.000 0.726 208 K HN 0.487 nan 8.250 nan 0.000 0.462 209 H N -1.260 117.830 119.070 0.034 0.000 2.273 209 H HA -0.047 4.509 4.556 -0.000 0.000 0.317 209 H C 2.045 177.328 175.328 -0.076 0.000 1.062 209 H CA 1.474 57.475 56.048 -0.079 0.000 1.419 209 H CB -1.060 28.552 29.762 -0.250 0.000 1.442 209 H HN 0.161 nan 8.280 nan 0.000 0.542 210 Y N 2.624 122.979 120.300 0.092 0.000 2.073 210 Y HA -0.336 4.214 4.550 0.000 0.000 0.270 210 Y C 2.846 178.734 175.900 -0.020 0.000 1.226 210 Y CA 1.698 59.794 58.100 -0.008 0.000 1.117 210 Y CB -1.118 37.280 38.460 -0.103 0.000 0.939 210 Y HN 0.181 nan 8.280 nan 0.000 0.504 211 L N -1.536 119.769 121.223 0.137 0.000 1.924 211 L HA -0.297 4.043 4.340 -0.000 0.000 0.237 211 L C 2.299 179.198 176.870 0.048 0.000 1.090 211 L CA 1.978 56.855 54.840 0.061 0.000 0.829 211 L CB -1.353 40.745 42.059 0.065 0.000 0.903 211 L HN 0.193 nan 8.230 nan 0.000 0.430 212 H N 0.461 119.554 119.070 0.039 0.000 2.394 212 H HA -0.112 4.444 4.556 0.000 0.000 0.297 212 H C 2.353 177.686 175.328 0.008 0.000 1.113 212 H CA 2.281 58.343 56.048 0.024 0.000 1.277 212 H CB -0.361 29.421 29.762 0.032 0.000 1.370 212 H HN 0.483 nan 8.280 nan 0.000 0.506 213 I N 0.272 120.928 120.570 0.143 0.000 2.953 213 I HA -0.227 3.943 4.170 -0.000 0.000 0.271 213 I C 1.393 177.539 176.117 0.048 0.000 1.286 213 I CA 1.041 62.384 61.300 0.072 0.000 1.449 213 I CB -0.033 37.985 38.000 0.029 0.000 1.086 213 I HN 0.231 nan 8.210 nan 0.000 0.483 214 I N -1.687 118.907 120.570 0.041 0.000 4.866 214 I HA 0.165 4.335 4.170 -0.000 0.000 0.325 214 I C 0.259 176.344 176.117 -0.052 0.000 1.240 214 I CA 0.047 61.348 61.300 0.002 0.000 1.355 214 I CB 0.630 38.631 38.000 0.002 0.000 1.395 214 I HN -0.037 nan 8.210 nan 0.000 0.479 215 E N 3.012 123.151 120.200 -0.102 0.000 2.266 215 E HA 0.403 4.753 4.350 -0.000 0.000 0.268 215 E C -0.796 175.686 176.600 -0.197 0.000 0.879 215 E CA -0.305 55.944 56.400 -0.252 0.000 0.762 215 E CB 1.692 31.056 29.700 -0.559 0.000 1.199 215 E HN 0.245 nan 8.360 nan 0.000 0.422 216 N N 1.514 120.143 118.700 -0.120 0.000 3.608 216 N HA -0.044 4.696 4.740 -0.000 0.000 0.134 216 N C -1.149 174.430 175.510 0.114 0.000 0.977 216 N CA -0.085 53.008 53.050 0.071 0.000 3.004 216 N CB -0.428 38.184 38.487 0.208 0.000 1.225 216 N HN 0.270 nan 8.380 nan 0.000 0.796 217 K N 0.539 120.984 120.400 0.075 0.000 2.419 217 K HA 0.518 4.838 4.320 -0.000 0.000 0.246 217 K C -1.357 175.340 176.600 0.162 0.000 1.037 217 K CA -1.479 54.858 56.287 0.084 0.000 0.982 217 K CB 1.024 33.535 32.500 0.018 0.000 1.283 217 K HN -0.134 nan 8.250 nan 0.000 0.500 218 P HA -0.024 nan 4.420 nan 0.000 0.230 218 P C -0.274 177.097 177.300 0.117 0.000 1.158 218 P CA 1.076 64.233 63.100 0.095 0.000 0.769 218 P CB 0.398 32.129 31.700 0.052 0.000 0.807 219 L N -1.751 119.571 121.223 0.166 0.000 2.359 219 L HA 0.485 4.825 4.340 -0.000 0.000 0.256 219 L C -0.958 176.135 176.870 0.371 0.000 1.026 219 L CA -1.243 53.708 54.840 0.186 0.000 0.828 219 L CB 1.813 43.907 42.059 0.060 0.000 1.406 219 L HN -0.279 nan 8.230 nan 0.000 0.413 220 Y N 1.226 121.497 120.300 -0.048 0.000 2.391 220 Y HA 0.411 4.961 4.550 -0.000 0.000 0.341 220 Y C -2.262 173.592 175.900 -0.076 0.000 0.965 220 Y CA -2.823 55.252 58.100 -0.042 0.000 1.067 220 Y CB 1.895 40.342 38.460 -0.023 0.000 1.199 220 Y HN 0.221 nan 8.280 nan 0.000 0.450 221 P HA 0.269 nan 4.420 nan 0.000 0.271 221 P C -0.969 176.337 177.300 0.010 0.000 1.216 221 P CA 0.101 63.187 63.100 -0.024 0.000 0.776 221 P CB 1.647 33.404 31.700 0.095 0.000 0.881 222 V N 0.375 120.246 119.914 -0.071 0.000 3.120 222 V HA 0.615 4.735 4.120 -0.000 0.000 0.303 222 V C -0.778 175.217 176.094 -0.165 0.000 1.238 222 V CA -0.997 61.188 62.300 -0.191 0.000 1.008 222 V CB 2.108 33.667 31.823 -0.441 0.000 1.064 222 V HN 0.341 nan 8.190 nan 0.000 0.434 223 I N 3.128 123.571 120.570 -0.212 0.000 2.439 223 I HA 0.610 4.780 4.170 -0.000 0.000 0.285 223 I C -1.055 174.987 176.117 -0.124 0.000 1.021 223 I CA -0.370 60.898 61.300 -0.054 0.000 1.091 223 I CB 1.739 39.807 38.000 0.115 0.000 1.242 223 I HN 0.651 nan 8.210 nan 0.000 0.439 224 Y N 4.013 124.361 120.300 0.078 0.000 2.679 224 Y HA 0.581 5.131 4.550 -0.000 0.000 0.331 224 Y C 0.229 176.134 175.900 0.009 0.000 1.183 224 Y CA -0.858 57.251 58.100 0.014 0.000 1.290 224 Y CB 0.830 39.276 38.460 -0.024 0.000 1.489 224 Y HN 0.567 nan 8.280 nan 0.000 0.583 225 D N -2.581 117.867 120.400 0.080 0.000 2.643 225 D HA 0.135 4.775 4.640 -0.000 0.000 0.283 225 D C 0.589 176.762 176.300 -0.213 0.000 1.242 225 D CA -0.306 53.537 54.000 -0.262 0.000 0.863 225 D CB 1.384 41.861 40.800 -0.540 0.000 1.382 225 D HN 0.429 nan 8.370 nan 0.000 0.444 226 S N -0.089 115.435 115.700 -0.293 0.000 2.389 226 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 226 S C 1.434 175.946 174.600 -0.148 0.000 1.048 226 S CA 2.227 60.313 58.200 -0.190 0.000 1.117 226 S CB -0.805 62.281 63.200 -0.191 0.000 1.020 226 S HN 0.534 nan 8.310 nan 0.000 0.430 227 N N 1.008 119.625 118.700 -0.139 0.000 2.184 227 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 227 N C 1.540 176.983 175.510 -0.112 0.000 1.011 227 N CA 1.452 54.441 53.050 -0.101 0.000 0.867 227 N CB -0.794 37.653 38.487 -0.067 0.000 0.993 227 N HN 0.758 nan 8.380 nan 0.000 0.433 228 G N -0.858 107.867 108.800 -0.125 0.000 2.163 228 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.213 228 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.213 228 G C -0.066 174.778 174.900 -0.093 0.000 0.991 228 G CA 0.114 45.101 45.100 -0.190 0.000 0.653 228 G HN 0.201 nan 8.290 nan 0.000 0.518 229 V N 0.805 120.722 119.914 0.005 0.000 2.715 229 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 229 V C 1.245 177.459 176.094 0.200 0.000 1.054 229 V CA 0.028 62.388 62.300 0.099 0.000 1.077 229 V CB 1.768 33.693 31.823 0.170 0.000 0.972 229 V HN 0.692 nan 8.190 nan 0.000 0.484 230 V N 6.301 126.325 119.914 0.183 0.000 2.389 230 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 230 V C 0.996 177.118 176.094 0.047 0.000 1.049 230 V CA -0.042 62.282 62.300 0.041 0.000 0.932 230 V CB 0.633 32.272 31.823 -0.308 0.000 1.011 230 V HN 0.762 nan 8.190 nan 0.000 0.475 231 L N 5.047 126.267 121.223 -0.005 0.000 2.005 231 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 231 L C 1.100 178.001 176.870 0.051 0.000 1.072 231 L CA 1.977 56.750 54.840 -0.113 0.000 0.744 231 L CB -0.824 41.131 42.059 -0.174 0.000 0.895 231 L HN 1.008 nan 8.230 nan 0.000 0.433 232 S N -2.645 113.105 115.700 0.083 0.000 2.645 232 S HA 0.250 4.720 4.470 -0.000 0.000 0.268 232 S C -0.678 173.982 174.600 0.099 0.000 1.110 232 S CA -0.722 57.647 58.200 0.282 0.000 0.823 232 S CB 1.474 64.890 63.200 0.361 0.000 1.091 232 S HN 0.099 nan 8.310 nan 0.000 0.466 233 M N 1.923 121.667 119.600 0.241 0.000 3.157 233 M HA 0.357 4.837 4.480 -0.000 0.000 0.213 233 M C -2.216 174.170 176.300 0.144 0.000 1.177 233 M CA -1.683 53.715 55.300 0.163 0.000 1.109 233 M CB -0.057 32.703 32.600 0.266 0.000 1.262 233 M HN 0.513 nan 8.290 nan 0.000 0.570 234 P HA -0.318 nan 4.420 nan 0.000 0.233 234 P C -1.752 175.561 177.300 0.022 0.000 0.738 234 P CA 2.660 65.808 63.100 0.080 0.000 1.103 234 P CB -1.475 30.302 31.700 0.129 0.000 0.675 235 P HA 0.020 nan 4.420 nan 0.000 0.224 235 P C 1.275 178.509 177.300 -0.109 0.000 1.157 235 P CA 0.980 64.055 63.100 -0.042 0.000 0.799 235 P CB -0.191 31.502 31.700 -0.013 0.000 0.809 236 I N -0.911 119.622 120.570 -0.060 0.000 2.490 236 I HA 0.042 4.212 4.170 -0.000 0.000 0.234 236 I C 0.931 176.937 176.117 -0.185 0.000 1.066 236 I CA 0.894 62.125 61.300 -0.116 0.000 1.405 236 I CB -0.791 37.217 38.000 0.014 0.000 1.191 236 I HN -0.156 nan 8.210 nan 0.000 0.433 237 I N -2.128 118.425 120.570 -0.029 0.000 3.006 237 I HA 0.483 4.653 4.170 -0.000 0.000 0.306 237 I C -0.983 175.210 176.117 0.127 0.000 1.250 237 I CA -1.407 59.872 61.300 -0.035 0.000 0.996 237 I CB 0.957 38.911 38.000 -0.076 0.000 1.261 237 I HN -0.076 nan 8.210 nan 0.000 0.442 238 N N 0.832 119.592 118.700 0.101 0.000 2.476 238 N HA 0.694 5.434 4.740 -0.000 0.000 0.276 238 N C -0.005 175.642 175.510 0.229 0.000 1.204 238 N CA -0.384 52.820 53.050 0.258 0.000 0.974 238 N CB 0.961 39.590 38.487 0.236 0.000 1.204 238 N HN 1.056 nan 8.380 nan 0.000 0.543 239 G N -0.831 108.225 108.800 0.427 0.000 2.403 239 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.259 239 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.259 239 G C 0.445 175.449 174.900 0.173 0.000 1.244 239 G CA -0.303 45.009 45.100 0.352 0.000 0.849 239 G HN 0.678 nan 8.290 nan 0.000 0.532 240 D N 0.824 121.268 120.400 0.073 0.000 2.264 240 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 240 D C 1.631 178.022 176.300 0.152 0.000 0.966 240 D CA 0.710 54.760 54.000 0.082 0.000 0.864 240 D CB 0.143 40.966 40.800 0.038 0.000 0.933 240 D HN 0.588 nan 8.370 nan 0.000 0.499 241 H N 0.974 120.103 119.070 0.097 0.000 2.321 241 H HA -0.050 4.506 4.556 -0.000 0.000 0.300 241 H C 1.686 177.066 175.328 0.086 0.000 1.087 241 H CA 2.406 58.506 56.048 0.087 0.000 1.319 241 H CB -0.338 29.485 29.762 0.102 0.000 1.379 241 H HN 0.054 nan 8.280 nan 0.000 0.501 242 S N 0.245 115.922 115.700 -0.038 0.000 2.660 242 S HA 0.104 4.574 4.470 -0.000 0.000 0.227 242 S C 0.982 175.645 174.600 0.105 0.000 0.948 242 S CA -0.561 57.603 58.200 -0.060 0.000 0.948 242 S CB -0.211 62.953 63.200 -0.061 0.000 0.779 242 S HN 0.388 nan 8.310 nan 0.000 0.487 243 R N 1.252 121.805 120.500 0.087 0.000 2.758 243 R HA 0.172 4.512 4.340 -0.000 0.000 0.263 243 R C -0.721 175.610 176.300 0.050 0.000 1.010 243 R CA -0.001 56.154 56.100 0.091 0.000 1.114 243 R CB 0.107 30.445 30.300 0.064 0.000 0.985 243 R HN 0.387 nan 8.270 nan 0.000 0.439 244 I N 0.711 121.313 120.570 0.053 0.000 2.378 244 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 244 I C -0.469 175.650 176.117 0.005 0.000 0.992 244 I CA -0.357 60.941 61.300 -0.003 0.000 1.154 244 I CB 1.921 39.908 38.000 -0.022 0.000 1.315 244 I HN 0.426 nan 8.210 nan 0.000 0.448 245 T N 3.490 117.935 114.554 -0.181 0.000 2.916 245 T HA 0.366 4.716 4.350 -0.000 0.000 0.292 245 T C 1.418 175.754 174.700 -0.606 0.000 1.064 245 T CA -0.711 61.127 62.100 -0.436 0.000 1.011 245 T CB 2.136 70.818 68.868 -0.310 0.000 1.152 245 T HN 0.366 nan 8.240 nan 0.000 0.510 246 V N 1.627 121.022 119.914 -0.865 0.000 2.353 246 V HA -0.280 3.840 4.120 -0.000 0.000 0.260 246 V C 1.902 177.846 176.094 -0.250 0.000 1.091 246 V CA 1.937 63.932 62.300 -0.509 0.000 1.088 246 V CB -0.684 30.927 31.823 -0.354 0.000 0.672 246 V HN 0.777 nan 8.190 nan 0.000 0.455 247 N N -0.949 117.615 118.700 -0.226 0.000 2.398 247 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 247 N C 0.709 176.150 175.510 -0.114 0.000 1.122 247 N CA 0.228 53.204 53.050 -0.123 0.000 0.866 247 N CB 0.013 38.441 38.487 -0.097 0.000 0.970 247 N HN 0.474 nan 8.380 nan 0.000 0.462 248 T N 1.040 115.476 114.554 -0.196 0.000 2.940 248 T HA 0.055 4.404 4.350 -0.000 0.000 0.309 248 T C 1.402 176.067 174.700 -0.058 0.000 1.056 248 T CA 0.096 62.105 62.100 -0.151 0.000 1.137 248 T CB 1.799 70.524 68.868 -0.238 0.000 0.976 248 T HN 0.032 nan 8.240 nan 0.000 0.547 249 R N 1.838 122.332 120.500 -0.010 0.000 2.121 249 R HA 0.180 4.520 4.340 -0.000 0.000 0.206 249 R C 0.128 176.464 176.300 0.059 0.000 1.094 249 R CA 0.710 56.832 56.100 0.038 0.000 1.055 249 R CB 0.173 30.492 30.300 0.031 0.000 0.964 249 R HN 0.660 nan 8.270 nan 0.000 0.473 250 N N 0.322 119.052 118.700 0.050 0.000 2.314 250 N HA 0.397 5.137 4.740 -0.000 0.000 0.294 250 N C -0.994 174.563 175.510 0.079 0.000 1.029 250 N CA -0.398 52.697 53.050 0.076 0.000 0.845 250 N CB 2.518 41.058 38.487 0.088 0.000 1.321 250 N HN -0.064 nan 8.380 nan 0.000 0.481 251 I N 2.016 122.640 120.570 0.089 0.000 2.404 251 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 251 I C -1.035 175.172 176.117 0.150 0.000 0.992 251 I CA -0.811 60.544 61.300 0.090 0.000 1.149 251 I CB 1.333 39.346 38.000 0.022 0.000 1.315 251 I HN 0.448 nan 8.210 nan 0.000 0.446 252 F N 7.932 127.890 119.950 0.014 0.000 2.402 252 F HA 0.607 5.134 4.527 -0.000 0.000 0.355 252 F C -0.703 175.055 175.800 -0.070 0.000 1.123 252 F CA -0.574 57.405 58.000 -0.034 0.000 1.021 252 F CB 0.671 39.623 39.000 -0.079 0.000 1.160 252 F HN 0.190 nan 8.300 nan 0.000 0.451 253 I N 6.405 126.600 120.570 -0.624 0.000 2.377 253 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 253 I C -0.545 175.084 176.117 -0.812 0.000 0.987 253 I CA -0.648 60.325 61.300 -0.545 0.000 1.185 253 I CB 1.539 39.371 38.000 -0.280 0.000 1.341 253 I HN 0.529 nan 8.210 nan 0.000 0.455 254 E N 6.806 126.645 120.200 -0.602 0.000 2.266 254 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 254 E C -1.996 174.387 176.600 -0.362 0.000 0.879 254 E CA -0.544 55.554 56.400 -0.504 0.000 0.762 254 E CB 2.222 31.741 29.700 -0.303 0.000 1.199 254 E HN 0.632 nan 8.360 nan 0.000 0.422 255 C N 2.763 121.837 119.300 -0.376 0.000 2.397 255 C HA 0.663 5.123 4.460 -0.000 0.000 0.325 255 C C 0.043 174.830 174.990 -0.338 0.000 1.201 255 C CA -0.445 58.383 59.018 -0.315 0.000 1.377 255 C CB 0.776 28.328 27.740 -0.315 0.000 2.038 255 C HN 0.808 nan 8.230 nan 0.000 0.457 256 T N 0.512 114.905 114.554 -0.268 0.000 2.942 256 T HA 0.975 5.325 4.350 -0.000 0.000 0.289 256 T C -0.115 174.555 174.700 -0.050 0.000 1.044 256 T CA 0.047 61.994 62.100 -0.254 0.000 1.023 256 T CB 2.091 70.759 68.868 -0.334 0.000 1.123 256 T HN 1.610 nan 8.240 nan 0.000 0.512 257 G N -0.124 108.727 108.800 0.084 0.000 2.320 257 G HA2 0.386 4.346 3.960 -0.000 0.000 0.297 257 G HA3 0.386 4.346 3.960 -0.000 0.000 0.297 257 G C 0.310 175.370 174.900 0.267 0.000 1.344 257 G CA 0.130 45.315 45.100 0.143 0.000 0.851 257 G HN 1.178 nan 8.290 nan 0.000 0.567 258 T N -2.891 111.799 114.554 0.228 0.000 3.054 258 T HA 0.199 4.549 4.350 -0.000 0.000 0.259 258 T C 0.461 175.495 174.700 0.557 0.000 1.092 258 T CA 1.469 63.720 62.100 0.252 0.000 1.121 258 T CB 0.296 69.239 68.868 0.126 0.000 0.912 258 T HN 0.436 nan 8.240 nan 0.000 0.489 259 D N 0.414 121.060 120.400 0.409 0.000 2.454 259 D HA 0.240 4.880 4.640 -0.000 0.000 0.225 259 D C 0.319 176.661 176.300 0.071 0.000 1.081 259 D CA -0.908 53.257 54.000 0.274 0.000 0.864 259 D CB 0.611 41.485 40.800 0.122 0.000 1.040 259 D HN 0.038 nan 8.370 nan 0.000 0.517 260 F N 3.181 122.831 119.950 -0.498 0.000 2.005 260 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 260 F C 2.452 178.042 175.800 -0.349 0.000 1.175 260 F CA 2.905 60.380 58.000 -0.875 0.000 1.192 260 F CB -0.813 37.427 39.000 -1.267 0.000 0.953 260 F HN 0.430 nan 8.300 nan 0.000 0.504 261 T N -0.856 113.840 114.554 0.237 0.000 2.680 261 T HA -0.321 4.029 4.350 -0.000 0.000 0.268 261 T C 1.966 176.654 174.700 -0.021 0.000 1.033 261 T CA 2.013 64.206 62.100 0.154 0.000 1.152 261 T CB -0.779 68.147 68.868 0.098 0.000 0.859 261 T HN 0.354 nan 8.240 nan 0.000 0.452 262 K N 1.554 121.924 120.400 -0.051 0.000 2.009 262 K HA 0.011 4.331 4.320 -0.000 0.000 0.210 262 K C 2.948 179.448 176.600 -0.165 0.000 1.049 262 K CA 1.346 57.570 56.287 -0.105 0.000 0.929 262 K CB -0.679 31.773 32.500 -0.080 0.000 0.714 262 K HN 0.461 nan 8.250 nan 0.000 0.440 263 A N 2.018 124.726 122.820 -0.187 0.000 1.873 263 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 263 A C 2.098 179.515 177.584 -0.278 0.000 1.193 263 A CA 2.078 53.967 52.037 -0.246 0.000 0.629 263 A CB -0.584 18.241 19.000 -0.291 0.000 0.826 263 A HN 0.286 nan 8.150 nan 0.000 0.447 264 K N -0.875 119.338 120.400 -0.312 0.000 2.127 264 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 264 K C 1.756 178.286 176.600 -0.117 0.000 1.047 264 K CA 1.707 57.871 56.287 -0.206 0.000 0.927 264 K CB -0.209 32.237 32.500 -0.089 0.000 0.716 264 K HN 0.441 nan 8.250 nan 0.000 0.450 265 I N 0.427 120.918 120.570 -0.133 0.000 2.277 265 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 265 I C 2.252 178.254 176.117 -0.192 0.000 1.094 265 I CA 0.874 62.091 61.300 -0.139 0.000 1.393 265 I CB -0.887 37.018 38.000 -0.159 0.000 1.078 265 I HN -0.005 nan 8.210 nan 0.000 0.417 266 V N 1.312 121.083 119.914 -0.239 0.000 2.324 266 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 266 V C 2.577 178.537 176.094 -0.224 0.000 1.060 266 V CA 1.653 63.795 62.300 -0.262 0.000 1.042 266 V CB -0.767 30.889 31.823 -0.278 0.000 0.650 266 V HN 0.376 nan 8.190 nan 0.000 0.450 267 L N 0.058 121.156 121.223 -0.208 0.000 1.955 267 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 267 L C 2.398 179.191 176.870 -0.127 0.000 1.072 267 L CA 2.481 57.213 54.840 -0.180 0.000 0.755 267 L CB -0.586 41.367 42.059 -0.178 0.000 0.888 267 L HN 0.317 nan 8.230 nan 0.000 0.432 268 D N -0.018 120.320 120.400 -0.104 0.000 2.133 268 D HA -0.269 4.371 4.640 -0.000 0.000 0.192 268 D C 2.171 178.392 176.300 -0.132 0.000 1.001 268 D CA 1.603 55.546 54.000 -0.095 0.000 0.844 268 D CB -0.117 40.630 40.800 -0.088 0.000 0.944 268 D HN 0.263 nan 8.370 nan 0.000 0.447 269 I N 0.401 120.887 120.570 -0.140 0.000 2.179 269 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 269 I C 2.364 178.429 176.117 -0.086 0.000 1.088 269 I CA 1.052 62.275 61.300 -0.129 0.000 1.357 269 I CB -0.749 37.178 38.000 -0.121 0.000 1.051 269 I HN 0.121 nan 8.210 nan 0.000 0.409 270 I N -0.182 120.333 120.570 -0.092 0.000 2.113 270 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 270 I C 2.690 178.865 176.117 0.095 0.000 1.070 270 I CA 1.183 62.457 61.300 -0.044 0.000 1.332 270 I CB -0.502 37.399 38.000 -0.165 0.000 1.044 270 I HN -0.000 nan 8.210 nan 0.000 0.402 271 V N -0.019 119.920 119.914 0.041 0.000 2.343 271 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 271 V C 2.586 178.735 176.094 0.092 0.000 1.051 271 V CA 2.667 65.023 62.300 0.094 0.000 1.036 271 V CB -0.260 31.590 31.823 0.044 0.000 0.654 271 V HN 0.523 nan 8.190 nan 0.000 0.451 272 T N -1.371 113.161 114.554 -0.037 0.000 2.867 272 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 272 T C 1.730 176.379 174.700 -0.084 0.000 1.057 272 T CA 1.946 63.922 62.100 -0.208 0.000 1.136 272 T CB -0.115 68.400 68.868 -0.589 0.000 0.874 272 T HN 0.355 nan 8.240 nan 0.000 0.466 273 M N 0.101 119.685 119.600 -0.027 0.000 2.064 273 M HA 0.197 4.677 4.480 -0.000 0.000 0.260 273 M C 1.156 177.382 176.300 -0.124 0.000 1.073 273 M CA 1.680 56.957 55.300 -0.037 0.000 1.124 273 M CB -0.416 32.190 32.600 0.010 0.000 1.326 273 M HN 0.289 nan 8.290 nan 0.000 0.410 274 F N -0.507 119.449 119.950 0.010 0.000 2.797 274 F HA 0.118 4.645 4.527 -0.000 0.000 0.302 274 F C 2.174 177.911 175.800 -0.104 0.000 1.130 274 F CA 0.538 58.506 58.000 -0.054 0.000 1.387 274 F CB -0.665 38.462 39.000 0.211 0.000 1.107 274 F HN 0.258 nan 8.300 nan 0.000 0.577 275 S N -0.686 115.084 115.700 0.116 0.000 2.595 275 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 275 S C 1.709 176.144 174.600 -0.274 0.000 0.974 275 S CA 0.769 59.003 58.200 0.057 0.000 0.942 275 S CB -0.601 62.726 63.200 0.212 0.000 0.766 275 S HN 0.611 nan 8.310 nan 0.000 0.536 276 E N 0.433 120.322 120.200 -0.518 0.000 2.347 276 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 276 E C 0.473 176.736 176.600 -0.561 0.000 1.008 276 E CA 0.662 56.459 56.400 -1.005 0.000 0.852 276 E CB -0.068 29.151 29.700 -0.801 0.000 0.783 276 E HN 0.895 nan 8.360 nan 0.000 0.505 277 Y N -0.849 119.320 120.300 -0.218 0.000 2.507 277 Y HA 0.214 4.764 4.550 -0.000 0.000 0.254 277 Y C 0.600 176.440 175.900 -0.099 0.000 1.171 277 Y CA -1.315 56.695 58.100 -0.150 0.000 1.238 277 Y CB 0.511 38.888 38.460 -0.139 0.000 1.148 277 Y HN 0.032 nan 8.280 nan 0.000 0.525 278 C N 0.987 120.305 119.300 0.031 0.000 2.534 278 C HA -0.004 4.456 4.460 -0.000 0.000 0.385 278 C C 2.242 177.243 174.990 0.019 0.000 1.264 278 C CA -0.356 58.686 59.018 0.041 0.000 2.342 278 C CB 1.099 28.865 27.740 0.043 0.000 2.564 278 C HN 0.605 nan 8.230 nan 0.000 0.603 279 E N 1.725 121.947 120.200 0.036 0.000 2.070 279 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 279 E C 1.081 177.694 176.600 0.021 0.000 1.004 279 E CA 1.235 57.653 56.400 0.029 0.000 0.805 279 E CB -0.066 29.656 29.700 0.036 0.000 0.744 279 E HN 0.680 nan 8.360 nan 0.000 0.451 280 N N 1.613 120.331 118.700 0.030 0.000 3.188 280 N HA -0.044 4.696 4.740 -0.000 0.000 0.279 280 N C -1.074 174.452 175.510 0.026 0.000 1.213 280 N CA -0.019 53.053 53.050 0.036 0.000 1.138 280 N CB 0.171 38.689 38.487 0.051 0.000 1.417 280 N HN 0.256 nan 8.380 nan 0.000 0.526 281 Q N 1.496 121.284 119.800 -0.020 0.000 2.873 281 Q HA -0.209 4.131 4.340 -0.000 0.000 0.385 281 Q C -0.439 175.551 176.000 -0.017 0.000 1.117 281 Q CA 0.896 56.618 55.803 -0.135 0.000 1.167 281 Q CB -0.074 28.559 28.738 -0.176 0.000 1.105 281 Q HN 0.552 nan 8.270 nan 0.000 0.444 282 F N 0.878 120.872 119.950 0.074 0.000 2.983 282 F HA -0.279 4.248 4.527 -0.000 0.000 0.288 282 F C 0.094 175.967 175.800 0.121 0.000 0.980 282 F CA 0.970 59.035 58.000 0.109 0.000 0.965 282 F CB -1.440 37.572 39.000 0.019 0.000 0.967 282 F HN 0.515 nan 8.300 nan 0.000 0.800 283 T N 0.421 115.115 114.554 0.233 0.000 2.952 283 T HA 0.732 5.082 4.350 -0.000 0.000 0.305 283 T C -0.829 173.970 174.700 0.165 0.000 1.064 283 T CA -0.583 61.628 62.100 0.184 0.000 1.008 283 T CB 1.684 70.627 68.868 0.125 0.000 1.078 283 T HN 0.022 nan 8.240 nan 0.000 0.459 284 V N 4.265 124.274 119.914 0.159 0.000 2.540 284 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 284 V C 0.084 176.248 176.094 0.117 0.000 1.035 284 V CA -0.935 61.447 62.300 0.136 0.000 0.873 284 V CB 1.731 33.636 31.823 0.137 0.000 0.992 284 V HN 0.928 nan 8.190 nan 0.000 0.428 285 E N 3.685 123.950 120.200 0.108 0.000 2.217 285 E HA 0.519 4.869 4.350 -0.000 0.000 0.279 285 E C 0.442 177.109 176.600 0.112 0.000 1.068 285 E CA -0.339 56.125 56.400 0.107 0.000 0.882 285 E CB 1.072 30.838 29.700 0.110 0.000 1.039 285 E HN 0.896 nan 8.360 nan 0.000 0.418 286 A N 3.587 126.473 122.820 0.111 0.000 2.567 286 A HA 0.387 4.707 4.320 -0.000 0.000 0.236 286 A C -0.062 177.608 177.584 0.143 0.000 1.088 286 A CA 0.664 52.774 52.037 0.121 0.000 0.776 286 A CB 0.237 19.301 19.000 0.106 0.000 1.033 286 A HN 0.758 nan 8.150 nan 0.000 0.513 287 A N 0.282 123.205 122.820 0.173 0.000 2.520 287 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 287 A C -0.626 177.102 177.584 0.239 0.000 1.051 287 A CA -0.372 51.785 52.037 0.199 0.000 0.690 287 A CB 1.049 20.151 19.000 0.169 0.000 1.281 287 A HN 0.882 nan 8.150 nan 0.000 0.402 288 E N 1.694 122.030 120.200 0.225 0.000 2.109 288 E HA 0.527 4.877 4.350 -0.000 0.000 0.278 288 E C -1.301 175.441 176.600 0.237 0.000 0.954 288 E CA -0.383 56.155 56.400 0.231 0.000 0.779 288 E CB 1.147 30.949 29.700 0.169 0.000 1.093 288 E HN 0.421 nan 8.360 nan 0.000 0.401 289 V N 5.193 125.295 119.914 0.313 0.000 2.394 289 V HA 0.247 4.367 4.120 -0.000 0.000 0.282 289 V C -0.161 176.048 176.094 0.191 0.000 1.031 289 V CA -0.720 61.700 62.300 0.199 0.000 0.881 289 V CB 1.556 33.450 31.823 0.119 0.000 0.982 289 V HN 0.473 nan 8.190 nan 0.000 0.451 290 V N 5.872 125.839 119.914 0.089 0.000 2.370 290 V HA 0.459 4.579 4.120 -0.000 0.000 0.283 290 V C -0.201 175.936 176.094 0.071 0.000 1.023 290 V CA -0.495 61.867 62.300 0.104 0.000 0.857 290 V CB 1.209 33.087 31.823 0.091 0.000 0.985 290 V HN 0.613 nan 8.190 nan 0.000 0.443 291 F N 5.742 125.756 119.950 0.107 0.000 2.375 291 F HA 0.354 4.881 4.527 -0.000 0.000 0.313 291 F C -1.047 174.831 175.800 0.130 0.000 1.176 291 F CA -1.642 56.464 58.000 0.176 0.000 1.142 291 F CB 0.551 39.710 39.000 0.266 0.000 1.275 291 F HN 0.348 nan 8.300 nan 0.000 0.544 292 P HA -0.192 nan 4.420 nan 0.000 0.219 292 P C 1.410 178.824 177.300 0.189 0.000 1.146 292 P CA 1.240 64.454 63.100 0.190 0.000 0.808 292 P CB 0.034 31.835 31.700 0.169 0.000 0.779 293 N N -0.326 118.530 118.700 0.260 0.000 2.272 293 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 293 N C 1.493 177.092 175.510 0.149 0.000 1.014 293 N CA 1.904 55.071 53.050 0.194 0.000 0.870 293 N CB -0.509 38.109 38.487 0.218 0.000 0.975 293 N HN 0.189 nan 8.380 nan 0.000 0.433 294 G N -0.111 108.785 108.800 0.159 0.000 2.213 294 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 294 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 294 G C 0.034 174.986 174.900 0.087 0.000 0.991 294 G CA 0.157 45.322 45.100 0.108 0.000 0.629 294 G HN 0.331 nan 8.290 nan 0.000 0.517 295 K N 0.838 121.292 120.400 0.090 0.000 2.126 295 K HA 0.668 4.988 4.320 -0.000 0.000 0.257 295 K C -0.180 176.344 176.600 -0.127 0.000 1.007 295 K CA -0.100 56.188 56.287 0.001 0.000 0.928 295 K CB 1.346 33.867 32.500 0.034 0.000 1.013 295 K HN 0.166 nan 8.250 nan 0.000 0.473 296 S N 1.799 117.390 115.700 -0.182 0.000 2.552 296 S HA 0.357 4.827 4.470 -0.000 0.000 0.314 296 S C -0.894 173.603 174.600 -0.172 0.000 1.099 296 S CA -0.886 57.227 58.200 -0.144 0.000 1.070 296 S CB 0.696 63.907 63.200 0.018 0.000 0.998 296 S HN 0.382 nan 8.310 nan 0.000 0.474 297 H N 1.089 120.343 119.070 0.307 0.000 2.524 297 H HA 0.468 5.024 4.556 -0.000 0.000 0.353 297 H C -0.183 175.227 175.328 0.137 0.000 1.136 297 H CA -0.623 55.530 56.048 0.175 0.000 1.193 297 H CB 1.124 31.020 29.762 0.225 0.000 1.558 297 H HN 0.382 nan 8.280 nan 0.000 0.515 298 T N 2.907 117.480 114.554 0.032 0.000 2.882 298 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 298 T C -0.201 174.346 174.700 -0.255 0.000 0.992 298 T CA -0.193 61.919 62.100 0.020 0.000 1.076 298 T CB 0.255 69.135 68.868 0.020 0.000 0.961 298 T HN 0.259 nan 8.240 nan 0.000 0.490 299 F N 2.096 122.109 119.950 0.105 0.000 2.643 299 F HA 0.508 5.035 4.527 -0.000 0.000 0.314 299 F C -2.227 173.595 175.800 0.037 0.000 1.096 299 F CA -2.303 55.736 58.000 0.063 0.000 0.953 299 F CB 1.984 41.002 39.000 0.031 0.000 1.345 299 F HN 0.308 nan 8.300 nan 0.000 0.468 300 P HA 0.155 nan 4.420 nan 0.000 0.276 300 P C -1.318 176.070 177.300 0.146 0.000 1.244 300 P CA -0.438 62.830 63.100 0.280 0.000 0.801 300 P CB 0.905 32.688 31.700 0.138 0.000 1.006 301 E N 1.692 121.962 120.200 0.116 0.000 2.069 301 E HA 0.240 4.590 4.350 -0.000 0.000 0.254 301 E C -0.204 176.438 176.600 0.071 0.000 1.088 301 E CA -0.546 55.863 56.400 0.014 0.000 1.017 301 E CB -0.648 29.014 29.700 -0.064 0.000 1.226 301 E HN 0.320 nan 8.360 nan 0.000 0.458 302 L N 2.762 124.047 121.223 0.105 0.000 2.694 302 L HA 0.001 4.341 4.340 -0.000 0.000 0.287 302 L C 0.591 177.581 176.870 0.201 0.000 1.249 302 L CA -0.220 54.707 54.840 0.146 0.000 1.177 302 L CB -0.549 41.650 42.059 0.233 0.000 1.435 302 L HN 0.559 nan 8.230 nan 0.000 0.440 303 A N 3.490 126.369 122.820 0.097 0.000 2.524 303 A HA 0.158 4.478 4.320 -0.000 0.000 0.250 303 A C -0.680 176.949 177.584 0.076 0.000 1.078 303 A CA 0.252 52.344 52.037 0.092 0.000 0.761 303 A CB -0.188 18.829 19.000 0.028 0.000 1.012 303 A HN 0.514 nan 8.150 nan 0.000 0.500 304 Y N 2.525 122.840 120.300 0.024 0.000 2.555 304 Y HA 0.326 4.876 4.550 0.000 0.000 0.326 304 Y C 0.606 176.517 175.900 0.019 0.000 0.984 304 Y CA -0.243 57.875 58.100 0.030 0.000 1.298 304 Y CB 1.169 39.652 38.460 0.038 0.000 1.094 304 Y HN 0.721 nan 8.280 nan 0.000 0.500 305 R N 2.341 122.887 120.500 0.076 0.000 2.490 305 R HA 0.398 4.738 4.340 -0.000 0.000 0.278 305 R C -0.319 176.020 176.300 0.065 0.000 1.069 305 R CA -0.559 55.573 56.100 0.054 0.000 1.080 305 R CB 0.907 31.215 30.300 0.013 0.000 1.030 305 R HN 0.420 nan 8.270 nan 0.000 0.491 306 K N 2.334 122.765 120.400 0.052 0.000 2.762 306 K HA 0.134 4.454 4.320 -0.000 0.000 0.180 306 K C -0.712 175.902 176.600 0.023 0.000 1.067 306 K CA -0.127 56.188 56.287 0.046 0.000 0.973 306 K CB 0.867 33.398 32.500 0.050 0.000 1.290 306 K HN 0.544 nan 8.250 nan 0.000 0.604 307 E N 1.381 121.589 120.200 0.012 0.000 2.342 307 E HA 0.252 4.602 4.350 -0.000 0.000 0.257 307 E C -0.332 176.266 176.600 -0.004 0.000 1.150 307 E CA -0.305 56.095 56.400 -0.001 0.000 0.926 307 E CB 1.233 30.924 29.700 -0.015 0.000 1.074 307 E HN 0.201 nan 8.360 nan 0.000 0.449 308 M N 1.966 121.559 119.600 -0.012 0.000 2.395 308 M HA 0.377 4.857 4.480 -0.000 0.000 0.307 308 M C -1.914 174.371 176.300 -0.025 0.000 1.091 308 M CA -0.779 54.513 55.300 -0.013 0.000 0.919 308 M CB 1.711 34.306 32.600 -0.009 0.000 1.662 308 M HN 0.272 nan 8.290 nan 0.000 0.440 309 V N 4.783 124.681 119.914 -0.027 0.000 2.656 309 V HA 0.557 4.677 4.120 -0.000 0.000 0.307 309 V C -0.246 175.830 176.094 -0.030 0.000 1.051 309 V CA -0.918 61.360 62.300 -0.037 0.000 0.893 309 V CB 2.208 34.003 31.823 -0.045 0.000 0.999 309 V HN 0.857 nan 8.190 nan 0.000 0.426 310 R N 2.131 122.612 120.500 -0.032 0.000 2.389 310 R HA 0.438 4.778 4.340 -0.000 0.000 0.295 310 R C 1.335 177.616 176.300 -0.032 0.000 1.075 310 R CA 0.264 56.347 56.100 -0.028 0.000 1.005 310 R CB 1.094 31.379 30.300 -0.025 0.000 0.987 310 R HN 0.922 nan 8.270 nan 0.000 0.452 311 A N 3.526 126.328 122.820 -0.030 0.000 1.917 311 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 311 A C 1.417 178.977 177.584 -0.040 0.000 1.182 311 A CA 1.640 53.656 52.037 -0.035 0.000 0.633 311 A CB -0.261 18.720 19.000 -0.033 0.000 0.819 311 A HN 0.786 nan 8.150 nan 0.000 0.448 312 D N -0.510 119.869 120.400 -0.035 0.000 2.149 312 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 312 D C 1.841 178.118 176.300 -0.038 0.000 0.990 312 D CA 1.527 55.506 54.000 -0.035 0.000 0.839 312 D CB -0.284 40.499 40.800 -0.028 0.000 0.948 312 D HN 0.387 nan 8.370 nan 0.000 0.460 313 L N 1.368 122.569 121.223 -0.036 0.000 1.970 313 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 313 L C 2.349 179.193 176.870 -0.043 0.000 1.071 313 L CA 1.425 56.242 54.840 -0.037 0.000 0.751 313 L CB -0.723 41.312 42.059 -0.040 0.000 0.889 313 L HN -0.026 nan 8.230 nan 0.000 0.432 314 I N -0.030 120.511 120.570 -0.048 0.000 2.145 314 I HA -0.404 3.766 4.170 -0.000 0.000 0.244 314 I C 2.271 178.350 176.117 -0.063 0.000 1.075 314 I CA 1.636 62.904 61.300 -0.052 0.000 1.332 314 I CB -0.728 37.241 38.000 -0.052 0.000 1.033 314 I HN 0.448 nan 8.210 nan 0.000 0.410 315 N N 1.042 119.700 118.700 -0.070 0.000 2.039 315 N HA -0.224 4.516 4.740 -0.000 0.000 0.193 315 N C 1.823 177.295 175.510 -0.063 0.000 1.044 315 N CA 1.369 54.370 53.050 -0.082 0.000 0.847 315 N CB -0.438 38.002 38.487 -0.078 0.000 1.030 315 N HN 0.336 nan 8.380 nan 0.000 0.422 316 K N 0.865 121.235 120.400 -0.049 0.000 2.281 316 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 316 K C 1.450 178.027 176.600 -0.038 0.000 1.046 316 K CA 1.034 57.298 56.287 -0.039 0.000 0.938 316 K CB 0.243 32.724 32.500 -0.031 0.000 0.737 316 K HN -0.008 nan 8.250 nan 0.000 0.458 317 K N -0.087 120.288 120.400 -0.041 0.000 2.168 317 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 317 K C 2.024 178.595 176.600 -0.048 0.000 1.049 317 K CA 0.577 56.841 56.287 -0.038 0.000 0.974 317 K CB -0.014 32.467 32.500 -0.033 0.000 0.792 317 K HN -0.022 nan 8.250 nan 0.000 0.463 318 V N 0.000 119.881 119.914 -0.055 0.000 2.379 318 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 318 V C 1.251 177.308 176.094 -0.063 0.000 1.044 318 V CA 1.626 63.889 62.300 -0.063 0.000 1.036 318 V CB -0.434 31.353 31.823 -0.059 0.000 0.664 318 V HN 0.611 nan 8.190 nan 0.000 0.453 319 G N 0.785 109.550 108.800 -0.059 0.000 2.181 319 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.152 319 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.152 319 G C -0.157 174.716 174.900 -0.043 0.000 1.026 319 G CA 0.010 45.084 45.100 -0.045 0.000 0.699 319 G HN 0.711 nan 8.290 nan 0.000 0.497 320 I N -3.728 116.790 120.570 -0.087 0.000 2.934 320 I HA 0.862 5.032 4.170 -0.000 0.000 0.306 320 I C -0.140 175.896 176.117 -0.135 0.000 1.110 320 I CA -1.953 59.266 61.300 -0.135 0.000 1.019 320 I CB 1.973 39.773 38.000 -0.333 0.000 1.227 320 I HN -0.081 nan 8.210 nan 0.000 0.434 321 R N 2.443 122.869 120.500 -0.123 0.000 2.835 321 R HA 0.340 4.680 4.340 -0.000 0.000 0.290 321 R C -0.896 175.345 176.300 -0.099 0.000 1.410 321 R CA -0.498 55.546 56.100 -0.092 0.000 1.590 321 R CB 0.679 30.948 30.300 -0.051 0.000 1.288 321 R HN 0.578 nan 8.270 nan 0.000 0.637 322 E N 1.102 121.211 120.200 -0.151 0.000 2.283 322 E HA 0.107 4.457 4.350 -0.000 0.000 0.267 322 E C 0.323 176.874 176.600 -0.081 0.000 1.045 322 E CA -0.239 56.085 56.400 -0.127 0.000 0.884 322 E CB 1.464 31.043 29.700 -0.203 0.000 1.106 322 E HN 0.233 nan 8.360 nan 0.000 0.408 323 T N -1.207 113.317 114.554 -0.051 0.000 2.913 323 T HA 0.138 4.488 4.350 -0.000 0.000 0.297 323 T C -1.517 173.162 174.700 -0.035 0.000 1.029 323 T CA -1.490 60.589 62.100 -0.036 0.000 1.104 323 T CB 1.116 69.971 68.868 -0.021 0.000 0.964 323 T HN 0.131 nan 8.240 nan 0.000 0.532 324 P HA -0.210 nan 4.420 nan 0.000 0.216 324 P C 1.257 178.547 177.300 -0.018 0.000 1.150 324 P CA 1.366 64.451 63.100 -0.025 0.000 0.843 324 P CB 0.177 31.864 31.700 -0.021 0.000 0.787 325 E N -0.229 119.962 120.200 -0.014 0.000 2.077 325 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 325 E C 1.863 178.460 176.600 -0.006 0.000 0.989 325 E CA 1.032 57.427 56.400 -0.009 0.000 0.800 325 E CB -0.220 29.475 29.700 -0.007 0.000 0.746 325 E HN 0.161 nan 8.360 nan 0.000 0.452 326 N N 0.433 119.128 118.700 -0.008 0.000 2.270 326 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 326 N C 1.866 177.374 175.510 -0.003 0.000 1.016 326 N CA 0.446 53.495 53.050 -0.001 0.000 0.870 326 N CB -0.197 38.291 38.487 0.002 0.000 0.979 326 N HN 0.143 nan 8.380 nan 0.000 0.431 327 L N 1.679 122.889 121.223 -0.021 0.000 2.042 327 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 327 L C 2.343 179.212 176.870 -0.002 0.000 1.076 327 L CA 1.315 56.139 54.840 -0.025 0.000 0.749 327 L CB -1.101 40.933 42.059 -0.041 0.000 0.893 327 L HN 0.094 nan 8.230 nan 0.000 0.432 328 A N -0.918 121.901 122.820 -0.002 0.000 1.883 328 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 328 A C 2.332 179.924 177.584 0.014 0.000 1.186 328 A CA 2.022 54.063 52.037 0.006 0.000 0.624 328 A CB -0.482 18.520 19.000 0.003 0.000 0.822 328 A HN 0.431 nan 8.150 nan 0.000 0.444 329 K N -0.496 119.911 120.400 0.012 0.000 2.032 329 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 329 K C 1.915 178.530 176.600 0.025 0.000 1.048 329 K CA 1.330 57.625 56.287 0.013 0.000 0.927 329 K CB -0.390 32.116 32.500 0.010 0.000 0.712 329 K HN 0.332 nan 8.250 nan 0.000 0.441 330 L N 1.135 122.382 121.223 0.040 0.000 1.944 330 L HA -0.234 4.106 4.340 -0.000 0.000 0.218 330 L C 2.458 179.372 176.870 0.074 0.000 1.075 330 L CA 1.772 56.654 54.840 0.069 0.000 0.767 330 L CB -1.232 40.879 42.059 0.086 0.000 0.890 330 L HN 0.293 nan 8.230 nan 0.000 0.434 331 L N -0.680 120.579 121.223 0.061 0.000 2.103 331 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 331 L C 2.535 179.448 176.870 0.071 0.000 1.080 331 L CA 1.805 56.684 54.840 0.064 0.000 0.764 331 L CB -0.974 41.111 42.059 0.042 0.000 0.890 331 L HN 0.395 nan 8.230 nan 0.000 0.435 332 T N -0.836 113.748 114.554 0.050 0.000 2.708 332 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 332 T C 1.932 176.649 174.700 0.028 0.000 1.037 332 T CA 1.217 63.340 62.100 0.039 0.000 1.146 332 T CB -0.197 68.681 68.868 0.017 0.000 0.865 332 T HN 0.309 nan 8.240 nan 0.000 0.435 333 R N 0.178 120.696 120.500 0.029 0.000 2.249 333 R HA 0.043 4.383 4.340 -0.000 0.000 0.230 333 R C 1.621 177.978 176.300 0.095 0.000 1.121 333 R CA 0.899 57.012 56.100 0.021 0.000 0.997 333 R CB -0.225 30.084 30.300 0.015 0.000 0.867 333 R HN 0.240 nan 8.270 nan 0.000 0.465 334 M N -1.245 118.442 119.600 0.145 0.000 2.505 334 M HA 0.086 4.566 4.480 -0.000 0.000 0.230 334 M C -0.390 176.077 176.300 0.279 0.000 1.153 334 M CA 0.359 55.795 55.300 0.227 0.000 0.997 334 M CB -0.008 32.709 32.600 0.194 0.000 1.606 334 M HN 0.203 nan 8.290 nan 0.000 0.481 335 Y N -3.060 117.295 120.300 0.091 0.000 4.168 335 Y HA -0.296 4.254 4.550 -0.000 0.000 0.342 335 Y C -0.101 175.826 175.900 0.044 0.000 1.201 335 Y CA 0.258 58.396 58.100 0.063 0.000 1.722 335 Y CB -1.177 37.318 38.460 0.059 0.000 0.841 335 Y HN 0.043 nan 8.280 nan 0.000 0.405 336 L N 2.919 124.261 121.223 0.198 0.000 2.395 336 L HA 0.093 4.433 4.340 -0.000 0.000 0.268 336 L C 0.656 177.582 176.870 0.094 0.000 1.223 336 L CA 0.307 55.219 54.840 0.120 0.000 1.093 336 L CB 0.127 42.234 42.059 0.081 0.000 1.349 336 L HN 0.035 nan 8.230 nan 0.000 0.427 337 K N 2.150 122.613 120.400 0.105 0.000 2.405 337 K HA 0.067 4.386 4.320 -0.000 0.000 0.276 337 K C -0.225 176.410 176.600 0.057 0.000 1.099 337 K CA 0.148 56.481 56.287 0.076 0.000 1.120 337 K CB 0.328 32.882 32.500 0.089 0.000 0.877 337 K HN 0.464 nan 8.250 nan 0.000 0.472 338 S N 3.205 118.929 115.700 0.039 0.000 2.621 338 S HA 0.375 4.845 4.470 -0.000 0.000 0.302 338 S C -0.957 173.654 174.600 0.018 0.000 1.093 338 S CA -0.846 57.371 58.200 0.027 0.000 1.017 338 S CB 1.945 65.159 63.200 0.022 0.000 1.077 338 S HN 0.675 nan 8.310 nan 0.000 0.517 339 E N 1.084 121.292 120.200 0.013 0.000 2.321 339 E HA 0.395 4.745 4.350 -0.000 0.000 0.281 339 E C -1.592 175.009 176.600 0.003 0.000 0.910 339 E CA -0.540 55.864 56.400 0.007 0.000 0.770 339 E CB 1.402 31.107 29.700 0.008 0.000 1.225 339 E HN 0.365 nan 8.360 nan 0.000 0.417 340 V N 4.865 124.778 119.914 -0.001 0.000 2.811 340 V HA 0.157 4.277 4.120 -0.000 0.000 0.302 340 V C 0.573 176.666 176.094 -0.003 0.000 1.063 340 V CA 0.159 62.457 62.300 -0.004 0.000 1.088 340 V CB 0.968 32.788 31.823 -0.006 0.000 0.982 340 V HN 0.618 nan 8.190 nan 0.000 0.485 341 I N 4.638 125.205 120.570 -0.004 0.000 2.317 341 I HA 0.357 4.527 4.170 -0.000 0.000 0.286 341 I C 1.387 177.501 176.117 -0.005 0.000 1.119 341 I CA 0.547 61.845 61.300 -0.004 0.000 1.228 341 I CB -0.014 37.984 38.000 -0.004 0.000 1.476 341 I HN 0.948 nan 8.210 nan 0.000 0.514 342 G N 4.775 113.573 108.800 -0.004 0.000 4.982 342 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.351 342 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.351 342 G C 0.805 175.702 174.900 -0.006 0.000 1.462 342 G CA 0.633 45.730 45.100 -0.005 0.000 1.248 342 G HN 0.734 nan 8.290 nan 0.000 0.842 343 D N 3.095 123.491 120.400 -0.006 0.000 2.490 343 D HA 0.284 4.924 4.640 -0.000 0.000 0.255 343 D C 1.583 177.878 176.300 -0.009 0.000 1.248 343 D CA 1.074 55.070 54.000 -0.007 0.000 0.887 343 D CB -1.087 39.709 40.800 -0.007 0.000 0.978 343 D HN 1.703 nan 8.370 nan 0.000 0.491 344 G N 1.355 110.150 108.800 -0.009 0.000 2.485 344 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.315 344 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.315 344 G C 0.674 175.566 174.900 -0.013 0.000 0.914 344 G CA 1.137 46.230 45.100 -0.010 0.000 0.889 344 G HN 0.613 nan 8.290 nan 0.000 0.512 345 N N -1.585 117.107 118.700 -0.012 0.000 2.684 345 N HA 0.052 4.792 4.740 -0.000 0.000 0.220 345 N C 0.822 176.322 175.510 -0.016 0.000 1.037 345 N CA 0.015 53.056 53.050 -0.015 0.000 0.975 345 N CB 0.473 38.952 38.487 -0.013 0.000 1.426 345 N HN 0.487 nan 8.380 nan 0.000 0.450 346 Q N 0.786 120.578 119.800 -0.013 0.000 2.222 346 Q HA 0.496 4.836 4.340 -0.000 0.000 0.252 346 Q C -0.965 175.028 176.000 -0.012 0.000 0.926 346 Q CA -0.075 55.720 55.803 -0.014 0.000 0.899 346 Q CB 2.706 31.437 28.738 -0.012 0.000 1.250 346 Q HN 0.291 nan 8.270 nan 0.000 0.441 347 I N 0.992 121.554 120.570 -0.013 0.000 2.406 347 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 347 I C -0.262 175.852 176.117 -0.005 0.000 0.999 347 I CA -0.681 60.614 61.300 -0.009 0.000 1.124 347 I CB 1.738 39.732 38.000 -0.010 0.000 1.289 347 I HN 0.575 nan 8.210 nan 0.000 0.441 348 E N 7.120 127.321 120.200 0.001 0.000 2.167 348 E HA 0.476 4.826 4.350 -0.000 0.000 0.284 348 E C -1.144 175.464 176.600 0.014 0.000 1.016 348 E CA -0.490 55.914 56.400 0.006 0.000 0.817 348 E CB 1.016 30.722 29.700 0.009 0.000 1.080 348 E HN 0.478 nan 8.360 nan 0.000 0.397 349 I N 3.733 124.312 120.570 0.015 0.000 2.404 349 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 349 I C -0.004 176.137 176.117 0.039 0.000 0.992 349 I CA -0.635 60.680 61.300 0.025 0.000 1.149 349 I CB 1.778 39.785 38.000 0.013 0.000 1.315 349 I HN 0.519 nan 8.210 nan 0.000 0.446 350 E N 6.138 126.376 120.200 0.063 0.000 2.073 350 E HA 0.366 4.716 4.350 -0.000 0.000 0.269 350 E C -1.109 175.538 176.600 0.078 0.000 0.917 350 E CA -0.899 55.559 56.400 0.097 0.000 0.757 350 E CB 0.991 30.782 29.700 0.151 0.000 1.111 350 E HN 0.387 nan 8.360 nan 0.000 0.410 351 I N 7.831 128.420 120.570 0.031 0.000 2.347 351 I HA 0.170 4.340 4.170 -0.000 0.000 0.294 351 I C -2.202 173.813 176.117 -0.170 0.000 1.090 351 I CA -2.172 59.105 61.300 -0.038 0.000 1.314 351 I CB 0.635 38.611 38.000 -0.040 0.000 1.423 351 I HN 0.391 nan 8.210 nan 0.000 0.503 352 P HA 0.115 nan 4.420 nan 0.000 0.272 352 P C -1.897 175.103 177.300 -0.500 0.000 1.223 352 P CA -1.189 61.566 63.100 -0.575 0.000 0.784 352 P CB 0.120 31.672 31.700 -0.247 0.000 0.923 353 P HA -0.138 nan 4.420 nan 0.000 0.230 353 P C 0.982 178.110 177.300 -0.286 0.000 1.158 353 P CA 1.376 64.279 63.100 -0.329 0.000 0.769 353 P CB -0.418 31.136 31.700 -0.244 0.000 0.807 354 T N -2.616 111.723 114.554 -0.358 0.000 2.770 354 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 354 T C 1.469 176.006 174.700 -0.272 0.000 1.039 354 T CA 0.466 62.347 62.100 -0.365 0.000 1.142 354 T CB -0.520 68.040 68.868 -0.514 0.000 0.868 354 T HN -0.049 nan 8.240 nan 0.000 0.435 355 R N 2.015 122.349 120.500 -0.276 0.000 2.891 355 R HA 0.531 4.871 4.340 -0.000 0.000 0.248 355 R C 0.689 176.919 176.300 -0.115 0.000 1.439 355 R CA 0.132 56.122 56.100 -0.183 0.000 1.288 355 R CB 0.189 30.398 30.300 -0.153 0.000 1.212 355 R HN 0.524 nan 8.270 nan 0.000 0.605 356 A N 2.043 124.828 122.820 -0.059 0.000 2.251 356 A HA -0.048 4.272 4.320 -0.000 0.000 0.209 356 A C 1.347 178.936 177.584 0.009 0.000 1.187 356 A CA 0.270 52.305 52.037 -0.003 0.000 0.823 356 A CB 0.026 19.069 19.000 0.070 0.000 0.846 356 A HN 0.614 nan 8.150 nan 0.000 0.486 357 D N -0.302 120.062 120.400 -0.059 0.000 2.234 357 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 357 D C 0.166 176.435 176.300 -0.052 0.000 0.962 357 D CA 0.165 54.112 54.000 -0.088 0.000 0.855 357 D CB -0.155 40.536 40.800 -0.181 0.000 0.951 357 D HN 0.340 nan 8.370 nan 0.000 0.500 358 I N 2.349 122.891 120.570 -0.047 0.000 2.576 358 I HA -0.050 4.120 4.170 -0.000 0.000 0.288 358 I C 1.412 177.525 176.117 -0.007 0.000 1.126 358 I CA 0.222 61.504 61.300 -0.029 0.000 1.362 358 I CB 0.320 38.300 38.000 -0.034 0.000 1.419 358 I HN 0.145 nan 8.210 nan 0.000 0.533 359 I N 2.504 123.086 120.570 0.019 0.000 4.403 359 I HA 0.384 4.554 4.170 -0.000 0.000 0.331 359 I C 0.139 176.318 176.117 0.103 0.000 1.327 359 I CA -0.130 61.196 61.300 0.043 0.000 1.175 359 I CB 0.345 38.368 38.000 0.039 0.000 1.165 359 I HN 0.462 nan 8.210 nan 0.000 0.413 360 H N 0.494 119.551 119.070 -0.020 0.000 2.946 360 H HA 0.718 5.274 4.556 0.000 0.000 0.365 360 H C 0.787 176.105 175.328 -0.017 0.000 1.197 360 H CA -0.024 56.014 56.048 -0.018 0.000 1.131 360 H CB 2.169 31.919 29.762 -0.020 0.000 1.849 360 H HN -0.027 nan 8.280 nan 0.000 0.555 361 A N 1.062 123.289 122.820 -0.989 0.000 1.917 361 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 361 A C 2.430 179.773 177.584 -0.402 0.000 1.182 361 A CA 2.052 53.714 52.037 -0.624 0.000 0.633 361 A CB -1.348 17.280 19.000 -0.621 0.000 0.819 361 A HN 0.754 nan 8.150 nan 0.000 0.448 362 C N -0.406 118.654 119.300 -0.399 0.000 2.411 362 C HA -0.120 4.340 4.460 -0.000 0.000 0.279 362 C C 2.270 177.251 174.990 -0.015 0.000 1.288 362 C CA 1.130 60.128 59.018 -0.034 0.000 1.764 362 C CB -1.298 26.555 27.740 0.188 0.000 1.974 362 C HN 0.582 nan 8.230 nan 0.000 0.498 363 D N 0.677 121.070 120.400 -0.012 0.000 2.218 363 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 363 D C 1.980 178.264 176.300 -0.028 0.000 0.976 363 D CA 1.003 54.995 54.000 -0.013 0.000 0.853 363 D CB -0.131 40.664 40.800 -0.009 0.000 0.939 363 D HN 0.392 nan 8.370 nan 0.000 0.481 364 I N 0.720 121.263 120.570 -0.045 0.000 2.286 364 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 364 I C 2.589 178.697 176.117 -0.015 0.000 1.104 364 I CA 0.567 61.849 61.300 -0.030 0.000 1.397 364 I CB -1.166 36.807 38.000 -0.046 0.000 1.072 364 I HN -0.098 nan 8.210 nan 0.000 0.417 365 V N 1.087 120.986 119.914 -0.026 0.000 2.282 365 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 365 V C 2.538 178.642 176.094 0.018 0.000 1.057 365 V CA 2.131 64.424 62.300 -0.012 0.000 1.032 365 V CB -0.866 30.944 31.823 -0.022 0.000 0.645 365 V HN 0.457 nan 8.190 nan 0.000 0.447 366 E N 0.392 120.602 120.200 0.017 0.000 2.026 366 E HA -0.329 4.021 4.350 -0.000 0.000 0.206 366 E C 1.990 178.623 176.600 0.056 0.000 1.028 366 E CA 2.128 58.552 56.400 0.040 0.000 0.845 366 E CB -0.237 29.463 29.700 0.001 0.000 0.772 366 E HN 0.609 nan 8.360 nan 0.000 0.462 367 D N 0.021 120.432 120.400 0.018 0.000 2.149 367 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 367 D C 1.774 178.126 176.300 0.087 0.000 1.001 367 D CA 1.625 55.643 54.000 0.030 0.000 0.849 367 D CB -0.536 40.282 40.800 0.029 0.000 0.939 367 D HN 0.362 nan 8.370 nan 0.000 0.449 368 A N 0.856 123.722 122.820 0.076 0.000 1.873 368 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 368 A C 2.336 180.013 177.584 0.155 0.000 1.193 368 A CA 2.811 54.902 52.037 0.089 0.000 0.629 368 A CB -1.034 17.988 19.000 0.037 0.000 0.826 368 A HN 0.264 nan 8.150 nan 0.000 0.447 369 A N -0.178 122.743 122.820 0.168 0.000 1.902 369 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 369 A C 2.126 179.945 177.584 0.392 0.000 1.181 369 A CA 1.561 53.767 52.037 0.281 0.000 0.623 369 A CB -0.682 18.451 19.000 0.223 0.000 0.818 369 A HN 0.527 nan 8.150 nan 0.000 0.443 370 I N -0.211 120.529 120.570 0.283 0.000 2.264 370 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 370 I C 2.912 179.178 176.117 0.248 0.000 1.111 370 I CA 1.104 62.464 61.300 0.100 0.000 1.382 370 I CB -0.380 37.560 38.000 -0.101 0.000 1.060 370 I HN 0.373 nan 8.210 nan 0.000 0.418 371 A N 0.037 123.034 122.820 0.295 0.000 1.930 371 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 371 A C 2.267 179.995 177.584 0.240 0.000 1.175 371 A CA 1.285 53.518 52.037 0.327 0.000 0.627 371 A CB -0.898 18.246 19.000 0.241 0.000 0.815 371 A HN 0.501 nan 8.150 nan 0.000 0.443 372 Y N 0.485 120.859 120.300 0.123 0.000 2.439 372 Y HA 0.264 4.814 4.550 -0.000 0.000 0.292 372 Y C 1.113 177.077 175.900 0.108 0.000 1.130 372 Y CA 0.625 58.779 58.100 0.090 0.000 1.254 372 Y CB -0.406 38.102 38.460 0.081 0.000 1.000 372 Y HN 0.591 nan 8.280 nan 0.000 0.554 373 G N -0.266 108.602 108.800 0.114 0.000 3.405 373 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.676 373 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.676 373 G C 0.273 175.262 174.900 0.149 0.000 1.039 373 G CA -0.121 45.007 45.100 0.046 0.000 0.855 373 G HN 0.502 nan 8.290 nan 0.000 0.443 374 Y N 1.074 121.384 120.300 0.017 0.000 2.139 374 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 374 Y C 2.620 178.530 175.900 0.016 0.000 1.179 374 Y CA 1.477 59.593 58.100 0.026 0.000 1.161 374 Y CB 0.012 38.473 38.460 0.003 0.000 0.970 374 Y HN 0.605 nan 8.280 nan 0.000 0.511 375 N N 0.522 119.330 118.700 0.179 0.000 2.575 375 N HA -0.087 4.653 4.740 -0.000 0.000 0.192 375 N C 0.260 175.783 175.510 0.020 0.000 1.200 375 N CA 0.482 53.588 53.050 0.094 0.000 0.897 375 N CB -0.179 38.363 38.487 0.092 0.000 0.990 375 N HN 0.490 nan 8.380 nan 0.000 0.449 376 N N 0.408 119.086 118.700 -0.036 0.000 2.205 376 N HA 0.195 4.935 4.740 -0.000 0.000 0.201 376 N C 0.123 175.659 175.510 0.043 0.000 1.128 376 N CA -0.024 52.955 53.050 -0.119 0.000 0.867 376 N CB 1.291 39.499 38.487 -0.465 0.000 0.996 376 N HN 0.222 nan 8.380 nan 0.000 0.503 377 I N 1.410 122.048 120.570 0.114 0.000 2.371 377 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 377 I C 0.851 177.019 176.117 0.084 0.000 1.028 377 I CA -0.425 60.975 61.300 0.167 0.000 1.345 377 I CB 1.080 39.149 38.000 0.116 0.000 1.407 377 I HN -0.095 nan 8.210 nan 0.000 0.501 378 Q N 7.230 127.076 119.800 0.078 0.000 2.313 378 Q HA 0.250 4.590 4.340 -0.000 0.000 0.266 378 Q C -0.732 175.283 176.000 0.024 0.000 0.989 378 Q CA -0.453 55.377 55.803 0.044 0.000 0.890 378 Q CB 0.890 29.652 28.738 0.040 0.000 1.200 378 Q HN 0.565 nan 8.270 nan 0.000 0.396 379 M N 3.780 123.390 119.600 0.017 0.000 2.227 379 M HA 0.144 4.624 4.480 -0.000 0.000 0.349 379 M C 0.107 176.410 176.300 0.004 0.000 1.443 379 M CA 0.057 55.360 55.300 0.006 0.000 1.110 379 M CB 0.565 33.169 32.600 0.007 0.000 1.773 379 M HN 0.659 nan 8.290 nan 0.000 0.463 380 T N 1.285 115.838 114.554 -0.002 0.000 2.942 380 T HA 0.727 5.077 4.350 -0.000 0.000 0.289 380 T C -0.634 174.064 174.700 -0.003 0.000 1.044 380 T CA -1.045 61.054 62.100 -0.001 0.000 1.023 380 T CB 1.853 70.719 68.868 -0.004 0.000 1.123 380 T HN 0.658 nan 8.240 nan 0.000 0.512 381 L N 2.797 124.020 121.223 0.000 0.000 2.319 381 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 381 L C -1.968 174.904 176.870 0.004 0.000 1.005 381 L CA -2.460 52.381 54.840 0.002 0.000 0.828 381 L CB 1.950 44.013 42.059 0.007 0.000 1.227 381 L HN 0.675 nan 8.230 nan 0.000 0.415 382 P HA -0.029 nan 4.420 nan 0.000 0.258 382 P C -0.941 176.368 177.300 0.014 0.000 1.172 382 P CA -0.089 63.013 63.100 0.004 0.000 0.762 382 P CB 0.491 32.190 31.700 -0.001 0.000 0.764 383 K N 2.944 123.354 120.400 0.016 0.000 2.535 383 K HA 0.217 4.537 4.320 -0.000 0.000 0.242 383 K C -0.088 176.537 176.600 0.041 0.000 1.210 383 K CA -0.040 56.264 56.287 0.028 0.000 1.178 383 K CB -0.009 32.502 32.500 0.019 0.000 1.778 383 K HN 0.464 nan 8.250 nan 0.000 0.372 384 T N -0.947 113.637 114.554 0.051 0.000 2.847 384 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 384 T C -0.514 174.248 174.700 0.102 0.000 0.998 384 T CA -0.764 61.374 62.100 0.063 0.000 0.967 384 T CB 0.852 69.737 68.868 0.027 0.000 0.954 384 T HN 0.191 nan 8.240 nan 0.000 0.441 385 Y N 3.886 124.182 120.300 -0.008 0.000 2.442 385 Y HA 0.437 4.987 4.550 -0.000 0.000 0.330 385 Y C 0.383 176.279 175.900 -0.007 0.000 1.129 385 Y CA -0.136 57.960 58.100 -0.007 0.000 1.365 385 Y CB 0.397 38.854 38.460 -0.006 0.000 1.233 385 Y HN 0.882 nan 8.280 nan 0.000 0.529 386 T N 5.799 120.024 114.554 -0.547 0.000 2.971 386 T HA 0.521 4.871 4.350 -0.000 0.000 0.304 386 T C -1.009 173.330 174.700 -0.600 0.000 1.038 386 T CA -0.980 60.846 62.100 -0.457 0.000 1.007 386 T CB 1.135 69.879 68.868 -0.207 0.000 1.055 386 T HN 0.436 nan 8.240 nan 0.000 0.451 387 I N 2.509 122.803 120.570 -0.459 0.000 2.371 387 I HA 0.496 4.667 4.170 -0.000 0.000 0.290 387 I C 1.087 177.102 176.117 -0.169 0.000 1.028 387 I CA -0.657 60.456 61.300 -0.311 0.000 1.345 387 I CB 0.581 38.471 38.000 -0.184 0.000 1.407 387 I HN 0.988 nan 8.210 nan 0.000 0.501 388 A N 7.612 130.361 122.820 -0.119 0.000 2.351 388 A HA 0.494 4.814 4.320 -0.000 0.000 0.257 388 A C 0.033 177.593 177.584 -0.040 0.000 1.087 388 A CA -0.385 51.611 52.037 -0.068 0.000 0.798 388 A CB 0.313 19.286 19.000 -0.045 0.000 1.033 388 A HN 0.821 nan 8.150 nan 0.000 0.488 389 N N 0.922 119.608 118.700 -0.023 0.000 2.369 389 N HA 0.232 4.972 4.740 -0.000 0.000 0.287 389 N C -1.203 174.322 175.510 0.025 0.000 1.067 389 N CA -0.409 52.641 53.050 -0.001 0.000 0.888 389 N CB 1.934 40.417 38.487 -0.007 0.000 1.616 389 N HN 0.772 nan 8.380 nan 0.000 0.482 390 Q N 0.461 120.290 119.800 0.047 0.000 2.317 390 Q HA 0.334 4.674 4.340 -0.000 0.000 0.229 390 Q C -0.440 175.657 176.000 0.163 0.000 0.984 390 Q CA -0.313 55.540 55.803 0.083 0.000 0.911 390 Q CB 1.726 30.500 28.738 0.061 0.000 1.217 390 Q HN 0.527 nan 8.270 nan 0.000 0.501 391 F N 1.942 121.883 119.950 -0.015 0.000 2.413 391 F HA 0.167 4.694 4.527 0.000 0.000 0.359 391 F C -1.788 174.005 175.800 -0.012 0.000 1.122 391 F CA -2.517 55.472 58.000 -0.017 0.000 1.160 391 F CB 0.981 39.968 39.000 -0.020 0.000 1.146 391 F HN 0.415 nan 8.300 nan 0.000 0.514 392 P HA -0.349 nan 4.420 nan 0.000 0.224 392 P C 1.974 179.153 177.300 -0.202 0.000 1.130 392 P CA 1.927 65.048 63.100 0.034 0.000 0.976 392 P CB 0.092 31.868 31.700 0.126 0.000 0.781 393 L N -1.119 119.763 121.223 -0.567 0.000 1.971 393 L HA -0.253 4.087 4.340 -0.000 0.000 0.215 393 L C 2.173 178.813 176.870 -0.384 0.000 1.072 393 L CA 1.971 56.481 54.840 -0.550 0.000 0.758 393 L CB -0.805 40.730 42.059 -0.875 0.000 0.889 393 L HN 0.078 nan 8.230 nan 0.000 0.433 394 N N -0.127 118.301 118.700 -0.454 0.000 2.149 394 N HA -0.263 4.477 4.740 -0.000 0.000 0.188 394 N C 1.729 177.179 175.510 -0.101 0.000 1.019 394 N CA 1.395 54.323 53.050 -0.204 0.000 0.857 394 N CB -0.155 38.261 38.487 -0.117 0.000 0.997 394 N HN 0.381 nan 8.380 nan 0.000 0.426 395 K N 1.000 121.351 120.400 -0.081 0.000 1.985 395 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 395 K C 2.135 178.715 176.600 -0.032 0.000 1.047 395 K CA 0.907 57.177 56.287 -0.028 0.000 0.932 395 K CB -0.265 32.229 32.500 -0.009 0.000 0.716 395 K HN -0.020 nan 8.250 nan 0.000 0.439 396 L N 1.506 122.696 121.223 -0.056 0.000 1.990 396 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 396 L C 2.004 178.846 176.870 -0.047 0.000 1.072 396 L CA 2.262 57.074 54.840 -0.048 0.000 0.755 396 L CB -1.133 40.893 42.059 -0.055 0.000 0.889 396 L HN 0.281 nan 8.230 nan 0.000 0.432 397 T N -0.714 113.802 114.554 -0.064 0.000 2.635 397 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 397 T C 1.753 176.439 174.700 -0.023 0.000 1.040 397 T CA 1.695 63.767 62.100 -0.047 0.000 1.156 397 T CB -0.375 68.456 68.868 -0.062 0.000 0.863 397 T HN 0.399 nan 8.240 nan 0.000 0.430 398 E N 0.737 120.928 120.200 -0.014 0.000 2.171 398 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 398 E C 1.952 178.598 176.600 0.077 0.000 0.997 398 E CA 0.946 57.357 56.400 0.017 0.000 0.810 398 E CB -0.460 29.265 29.700 0.042 0.000 0.738 398 E HN 0.496 nan 8.360 nan 0.000 0.467 399 L N -0.624 120.632 121.223 0.055 0.000 2.049 399 L HA -0.098 4.242 4.340 -0.000 0.000 0.203 399 L C 2.448 179.335 176.870 0.028 0.000 1.074 399 L CA 0.791 55.672 54.840 0.069 0.000 0.749 399 L CB -0.491 41.577 42.059 0.015 0.000 0.907 399 L HN 0.172 nan 8.230 nan 0.000 0.439 400 L N -0.465 120.738 121.223 -0.034 0.000 2.013 400 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 400 L C 2.925 179.731 176.870 -0.107 0.000 1.073 400 L CA 1.358 56.141 54.840 -0.095 0.000 0.753 400 L CB -0.693 41.298 42.059 -0.113 0.000 0.890 400 L HN 0.257 nan 8.230 nan 0.000 0.432 401 R N -0.825 119.653 120.500 -0.036 0.000 2.113 401 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 401 R C 2.250 178.508 176.300 -0.070 0.000 1.142 401 R CA 1.549 57.656 56.100 0.013 0.000 0.953 401 R CB -0.793 29.501 30.300 -0.011 0.000 0.860 401 R HN 0.501 nan 8.270 nan 0.000 0.438 402 H N 0.098 119.164 119.070 -0.005 0.000 2.489 402 H HA -0.067 4.489 4.556 -0.000 0.000 0.293 402 H C 1.403 176.694 175.328 -0.062 0.000 1.066 402 H CA 1.097 57.136 56.048 -0.015 0.000 1.305 402 H CB 0.091 29.845 29.762 -0.014 0.000 1.386 402 H HN 0.280 nan 8.280 nan 0.000 0.551 403 D N -0.422 119.971 120.400 -0.012 0.000 2.277 403 D HA -0.049 4.591 4.640 -0.000 0.000 0.209 403 D C 2.218 178.399 176.300 -0.199 0.000 0.970 403 D CA 0.077 54.024 54.000 -0.088 0.000 0.874 403 D CB 0.354 41.088 40.800 -0.110 0.000 0.982 403 D HN 0.179 nan 8.370 nan 0.000 0.504 404 M N 0.967 120.342 119.600 -0.375 0.000 2.117 404 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 404 M C 2.322 178.409 176.300 -0.356 0.000 1.065 404 M CA 0.724 55.619 55.300 -0.674 0.000 1.114 404 M CB -1.031 30.601 32.600 -1.613 0.000 1.361 404 M HN -0.074 nan 8.290 nan 0.000 0.408 405 A N 0.130 122.854 122.820 -0.160 0.000 1.902 405 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 405 A C 2.434 180.050 177.584 0.053 0.000 1.181 405 A CA 2.015 54.086 52.037 0.058 0.000 0.623 405 A CB -0.884 18.184 19.000 0.113 0.000 0.818 405 A HN 0.476 nan 8.150 nan 0.000 0.443 406 A N -0.128 122.701 122.820 0.015 0.000 1.933 406 A HA 0.198 4.518 4.320 -0.000 0.000 0.218 406 A C 2.136 179.735 177.584 0.024 0.000 1.175 406 A CA 1.704 53.753 52.037 0.020 0.000 0.628 406 A CB -0.831 18.168 19.000 -0.002 0.000 0.814 406 A HN 1.162 nan 8.150 nan 0.000 0.444 407 A N -1.239 121.580 122.820 -0.001 0.000 2.268 407 A HA 0.421 4.741 4.320 -0.000 0.000 0.221 407 A C 1.696 179.415 177.584 0.225 0.000 1.287 407 A CA 1.031 53.096 52.037 0.046 0.000 0.902 407 A CB -1.512 17.439 19.000 -0.081 0.000 0.877 407 A HN 1.895 nan 8.150 nan 0.000 0.487 408 G N -1.780 107.130 108.800 0.183 0.000 2.189 408 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 408 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 408 G C 0.019 175.058 174.900 0.232 0.000 0.975 408 G CA 0.561 45.774 45.100 0.187 0.000 0.644 408 G HN 0.365 nan 8.290 nan 0.000 0.537 409 F N 0.860 120.832 119.950 0.037 0.000 2.370 409 F HA 0.655 5.182 4.527 -0.000 0.000 0.319 409 F C 1.042 176.999 175.800 0.261 0.000 1.129 409 F CA -0.205 57.875 58.000 0.133 0.000 1.109 409 F CB 1.492 40.565 39.000 0.120 0.000 1.262 409 F HN -0.079 nan 8.300 nan 0.000 0.534 410 T N 1.082 115.894 114.554 0.430 0.000 2.807 410 T HA 0.214 4.564 4.350 -0.000 0.000 0.279 410 T C -0.652 174.099 174.700 0.086 0.000 0.993 410 T CA -0.745 61.509 62.100 0.256 0.000 0.970 410 T CB 1.250 70.160 68.868 0.071 0.000 0.950 410 T HN 0.512 nan 8.240 nan 0.000 0.441 411 E N 1.812 121.913 120.200 -0.164 0.000 2.313 411 E HA 0.566 4.916 4.350 -0.000 0.000 0.276 411 E C -0.412 175.965 176.600 -0.373 0.000 1.031 411 E CA -0.549 55.428 56.400 -0.705 0.000 0.857 411 E CB 0.683 30.013 29.700 -0.617 0.000 1.040 411 E HN 0.726 nan 8.360 nan 0.000 0.408 412 A N 4.184 126.771 122.820 -0.387 0.000 2.392 412 A HA 0.638 4.958 4.320 -0.000 0.000 0.283 412 A C -0.945 176.510 177.584 -0.215 0.000 1.197 412 A CA -0.778 51.121 52.037 -0.230 0.000 0.895 412 A CB 1.116 20.011 19.000 -0.175 0.000 1.400 412 A HN 0.647 nan 8.150 nan 0.000 0.461 413 L N 1.090 122.207 121.223 -0.177 0.000 2.502 413 L HA 0.257 4.597 4.340 -0.000 0.000 0.249 413 L C -0.369 176.366 176.870 -0.225 0.000 1.446 413 L CA -0.182 54.537 54.840 -0.200 0.000 0.887 413 L CB 0.840 42.772 42.059 -0.212 0.000 1.126 413 L HN 0.832 nan 8.230 nan 0.000 0.509 414 T N 0.708 115.176 114.554 -0.144 0.000 2.906 414 T HA 0.132 4.482 4.350 -0.000 0.000 0.320 414 T C 0.081 174.718 174.700 -0.104 0.000 1.088 414 T CA 0.392 62.454 62.100 -0.064 0.000 1.120 414 T CB 0.335 69.201 68.868 -0.004 0.000 1.000 414 T HN 0.030 nan 8.240 nan 0.000 0.550 415 F N 0.391 120.354 119.950 0.020 0.000 2.380 415 F HA 0.446 4.973 4.527 -0.000 0.000 0.325 415 F C 1.344 177.172 175.800 0.046 0.000 1.136 415 F CA -0.638 57.387 58.000 0.042 0.000 1.171 415 F CB 0.598 39.645 39.000 0.077 0.000 1.230 415 F HN 0.647 nan 8.300 nan 0.000 0.554 416 A N 2.248 125.209 122.820 0.235 0.000 2.178 416 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 416 A C 0.318 177.999 177.584 0.161 0.000 1.157 416 A CA 0.352 52.477 52.037 0.146 0.000 0.780 416 A CB -0.403 18.650 19.000 0.089 0.000 0.828 416 A HN 0.529 nan 8.150 nan 0.000 0.476 417 L N -0.343 121.019 121.223 0.231 0.000 2.330 417 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 417 L C -0.004 176.994 176.870 0.212 0.000 1.013 417 L CA -0.836 54.136 54.840 0.220 0.000 0.816 417 L CB 1.827 44.051 42.059 0.274 0.000 1.287 417 L HN 0.562 nan 8.230 nan 0.000 0.435 418 C N -1.344 118.059 119.300 0.170 0.000 3.253 418 C HA 0.536 4.996 4.460 -0.000 0.000 0.361 418 C C -0.250 174.786 174.990 0.076 0.000 1.498 418 C CA -0.965 58.112 59.018 0.098 0.000 1.163 418 C CB 1.123 28.924 27.740 0.102 0.000 1.687 418 C HN 0.823 nan 8.230 nan 0.000 0.430 419 S N 0.394 116.116 115.700 0.037 0.000 2.554 419 S HA 0.387 4.857 4.470 -0.000 0.000 0.278 419 S C 0.627 175.258 174.600 0.051 0.000 1.242 419 S CA -0.231 57.987 58.200 0.030 0.000 1.051 419 S CB 1.169 64.359 63.200 -0.016 0.000 0.986 419 S HN 0.888 nan 8.310 nan 0.000 0.502 420 Q N 1.739 121.581 119.800 0.069 0.000 2.118 420 Q HA -0.297 4.043 4.340 -0.000 0.000 0.211 420 Q C 2.038 178.070 176.000 0.054 0.000 0.998 420 Q CA 2.268 58.121 55.803 0.084 0.000 0.872 420 Q CB -0.597 28.209 28.738 0.114 0.000 0.925 420 Q HN 1.037 nan 8.270 nan 0.000 0.414 421 E N 0.885 121.097 120.200 0.019 0.000 2.273 421 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 421 E C 1.085 177.671 176.600 -0.023 0.000 1.002 421 E CA 1.390 57.780 56.400 -0.017 0.000 0.828 421 E CB -0.143 29.521 29.700 -0.059 0.000 0.747 421 E HN 0.334 nan 8.360 nan 0.000 0.491 422 D N 1.178 121.592 120.400 0.023 0.000 2.183 422 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 422 D C 1.772 178.192 176.300 0.199 0.000 0.969 422 D CA 1.272 55.342 54.000 0.116 0.000 0.842 422 D CB 0.111 41.000 40.800 0.148 0.000 0.957 422 D HN 0.511 nan 8.370 nan 0.000 0.484 423 I N -3.665 116.980 120.570 0.125 0.000 3.927 423 I HA 0.523 4.693 4.170 -0.000 0.000 0.332 423 I C 0.713 176.885 176.117 0.091 0.000 1.485 423 I CA -0.369 61.001 61.300 0.115 0.000 1.131 423 I CB 1.114 39.166 38.000 0.087 0.000 1.092 423 I HN -0.166 nan 8.210 nan 0.000 0.410 424 A N 0.577 123.447 122.820 0.082 0.000 1.663 424 A HA 0.267 4.587 4.320 -0.000 0.000 0.152 424 A C 1.126 178.741 177.584 0.053 0.000 1.634 424 A CA 0.550 52.626 52.037 0.066 0.000 1.780 424 A CB -0.577 18.460 19.000 0.061 0.000 1.649 424 A HN 0.207 nan 8.150 nan 0.000 1.147 425 D N 1.081 121.498 120.400 0.030 0.000 2.126 425 D HA -0.165 4.475 4.640 -0.000 0.000 0.190 425 D C 1.473 177.773 176.300 -0.000 0.000 1.001 425 D CA 1.865 55.870 54.000 0.009 0.000 0.841 425 D CB -0.214 40.578 40.800 -0.014 0.000 0.949 425 D HN 0.492 nan 8.370 nan 0.000 0.446 426 K N -0.276 120.101 120.400 -0.038 0.000 2.442 426 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 426 K C 1.222 177.888 176.600 0.111 0.000 1.042 426 K CA 0.455 56.694 56.287 -0.080 0.000 0.958 426 K CB 0.115 32.362 32.500 -0.422 0.000 0.766 426 K HN 0.251 nan 8.250 nan 0.000 0.474 427 L N -0.873 120.424 121.223 0.122 0.000 2.766 427 L HA 0.229 4.569 4.340 -0.000 0.000 0.242 427 L C 0.791 177.713 176.870 0.088 0.000 1.136 427 L CA -0.087 54.830 54.840 0.127 0.000 0.933 427 L CB 0.712 42.842 42.059 0.119 0.000 1.241 427 L HN 0.263 nan 8.230 nan 0.000 0.522 428 G N 0.896 109.741 108.800 0.076 0.000 2.137 428 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 428 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 428 G C -0.182 174.748 174.900 0.049 0.000 1.002 428 G CA 0.121 45.257 45.100 0.061 0.000 0.702 428 G HN 0.123 nan 8.290 nan 0.000 0.515 429 V N -0.324 119.620 119.914 0.051 0.000 3.007 429 V HA 0.567 4.687 4.120 -0.000 0.000 0.311 429 V C -0.312 175.808 176.094 0.044 0.000 1.120 429 V CA -1.256 61.072 62.300 0.047 0.000 0.980 429 V CB 2.078 33.933 31.823 0.053 0.000 1.033 429 V HN 0.282 nan 8.190 nan 0.000 0.429 430 D N 1.404 121.828 120.400 0.040 0.000 2.304 430 D HA 0.228 4.868 4.640 -0.000 0.000 0.250 430 D C 0.893 177.225 176.300 0.053 0.000 1.107 430 D CA -0.279 53.746 54.000 0.040 0.000 0.885 430 D CB 1.671 42.491 40.800 0.033 0.000 1.192 430 D HN 0.403 nan 8.370 nan 0.000 0.436 431 I N 2.564 123.172 120.570 0.064 0.000 2.908 431 I HA -0.258 3.912 4.170 -0.000 0.000 0.271 431 I C 2.241 178.425 176.117 0.110 0.000 1.275 431 I CA 0.817 62.175 61.300 0.097 0.000 1.446 431 I CB -0.865 37.215 38.000 0.132 0.000 1.092 431 I HN 0.291 nan 8.210 nan 0.000 0.482 432 S N -0.130 115.617 115.700 0.077 0.000 2.548 432 S HA 0.345 4.815 4.470 -0.000 0.000 0.215 432 S C 1.538 176.172 174.600 0.057 0.000 0.976 432 S CA 0.214 58.457 58.200 0.071 0.000 0.908 432 S CB 0.017 63.245 63.200 0.048 0.000 0.781 432 S HN 0.362 nan 8.310 nan 0.000 0.519 433 A N 1.388 124.238 122.820 0.050 0.000 2.594 433 A HA 0.454 4.774 4.320 -0.000 0.000 0.287 433 A C 1.479 179.084 177.584 0.035 0.000 1.227 433 A CA 0.246 52.306 52.037 0.039 0.000 0.952 433 A CB -0.380 18.641 19.000 0.035 0.000 1.161 433 A HN 0.545 nan 8.150 nan 0.000 0.524 434 T N -3.572 111.005 114.554 0.038 0.000 3.001 434 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 434 T C 0.866 175.571 174.700 0.008 0.000 1.040 434 T CA 0.427 62.543 62.100 0.026 0.000 0.985 434 T CB -0.076 68.810 68.868 0.030 0.000 1.011 434 T HN 0.292 nan 8.240 nan 0.000 0.509 435 K N 0.482 120.890 120.400 0.013 0.000 3.407 435 K HA -0.132 4.188 4.320 -0.000 0.000 0.312 435 K C 0.591 177.178 176.600 -0.021 0.000 1.302 435 K CA 0.715 57.004 56.287 0.004 0.000 0.931 435 K CB -2.583 29.914 32.500 -0.006 0.000 1.257 435 K HN 0.755 nan 8.250 nan 0.000 0.454 436 A N 0.886 123.676 122.820 -0.051 0.000 2.448 436 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 436 A C 0.649 178.091 177.584 -0.237 0.000 1.080 436 A CA -0.094 51.863 52.037 -0.134 0.000 0.779 436 A CB 0.587 19.483 19.000 -0.173 0.000 1.026 436 A HN 0.079 nan 8.150 nan 0.000 0.499 437 V N 3.084 122.862 119.914 -0.226 0.000 2.472 437 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 437 V C -0.165 175.750 176.094 -0.298 0.000 1.037 437 V CA -0.523 61.665 62.300 -0.187 0.000 0.908 437 V CB 1.185 32.972 31.823 -0.059 0.000 0.985 437 V HN 0.874 nan 8.190 nan 0.000 0.454 438 H N 4.117 123.208 119.070 0.035 0.000 2.459 438 H HA 0.479 5.035 4.556 -0.000 0.000 0.332 438 H C -0.576 174.771 175.328 0.032 0.000 1.094 438 H CA -0.577 55.492 56.048 0.035 0.000 1.224 438 H CB 1.897 31.677 29.762 0.030 0.000 1.449 438 H HN 0.404 nan 8.280 nan 0.000 0.484 439 I N 1.546 122.205 120.570 0.150 0.000 2.428 439 I HA -0.023 4.147 4.170 -0.000 0.000 0.289 439 I C 1.070 177.242 176.117 0.091 0.000 1.019 439 I CA 0.167 61.523 61.300 0.094 0.000 1.351 439 I CB 1.052 39.098 38.000 0.077 0.000 1.412 439 I HN 0.407 nan 8.210 nan 0.000 0.513 440 S N 4.888 120.623 115.700 0.059 0.000 2.548 440 S HA 0.219 4.689 4.470 -0.000 0.000 0.277 440 S C 0.339 174.962 174.600 0.039 0.000 1.315 440 S CA -0.322 57.904 58.200 0.044 0.000 1.050 440 S CB -0.318 62.900 63.200 0.029 0.000 0.918 440 S HN 0.701 nan 8.310 nan 0.000 0.497 441 N N 2.354 121.076 118.700 0.036 0.000 2.669 441 N HA -0.109 4.631 4.740 -0.000 0.000 0.266 441 N C -2.616 172.927 175.510 0.055 0.000 1.024 441 N CA 0.822 53.894 53.050 0.036 0.000 0.766 441 N CB -0.897 37.605 38.487 0.023 0.000 0.898 441 N HN 0.533 nan 8.380 nan 0.000 0.548 442 P HA 0.039 nan 4.420 nan 0.000 0.271 442 P C 0.524 177.913 177.300 0.149 0.000 1.216 442 P CA -0.092 63.092 63.100 0.140 0.000 0.771 442 P CB 1.243 33.048 31.700 0.175 0.000 0.864 443 K N 0.715 121.247 120.400 0.221 0.000 1.968 443 K HA -0.080 4.240 4.320 -0.000 0.000 0.222 443 K C 1.407 178.063 176.600 0.095 0.000 1.043 443 K CA 1.476 57.868 56.287 0.175 0.000 0.991 443 K CB -0.729 31.924 32.500 0.254 0.000 0.744 443 K HN 0.496 nan 8.250 nan 0.000 0.445 444 T N -1.235 113.338 114.554 0.032 0.000 2.770 444 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 444 T C 1.039 175.652 174.700 -0.144 0.000 0.981 444 T CA 0.083 62.080 62.100 -0.172 0.000 0.955 444 T CB 1.293 69.887 68.868 -0.457 0.000 1.060 444 T HN 0.299 nan 8.240 nan 0.000 0.531 445 A N 0.598 123.322 122.820 -0.160 0.000 1.968 445 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 445 A C 1.503 179.017 177.584 -0.116 0.000 1.169 445 A CA 1.207 53.185 52.037 -0.098 0.000 0.638 445 A CB -0.492 18.455 19.000 -0.088 0.000 0.812 445 A HN 0.915 nan 8.150 nan 0.000 0.446 446 E N -1.134 118.905 120.200 -0.267 0.000 2.330 446 E HA 0.220 4.570 4.350 -0.000 0.000 0.210 446 E C -0.449 176.025 176.600 -0.209 0.000 1.256 446 E CA -0.093 56.151 56.400 -0.260 0.000 1.346 446 E CB -0.542 28.953 29.700 -0.341 0.000 1.308 446 E HN 0.726 nan 8.360 nan 0.000 0.441 447 F N 0.086 120.028 119.950 -0.013 0.000 2.856 447 F HA 0.169 4.696 4.527 -0.000 0.000 0.333 447 F C 1.534 177.348 175.800 0.022 0.000 1.200 447 F CA -0.438 57.560 58.000 -0.002 0.000 1.128 447 F CB 0.836 39.830 39.000 -0.011 0.000 1.172 447 F HN 0.004 nan 8.300 nan 0.000 0.511 448 Q N 0.151 120.070 119.800 0.197 0.000 2.089 448 Q HA 0.059 4.399 4.340 -0.000 0.000 0.195 448 Q C 0.373 176.473 176.000 0.168 0.000 0.963 448 Q CA 0.981 56.885 55.803 0.169 0.000 0.834 448 Q CB 0.629 29.452 28.738 0.141 0.000 0.906 448 Q HN 0.123 nan 8.270 nan 0.000 0.452 449 V N -0.480 119.507 119.914 0.121 0.000 3.074 449 V HA 0.666 4.786 4.120 -0.000 0.000 0.314 449 V C -1.062 175.063 176.094 0.050 0.000 1.117 449 V CA -1.134 61.187 62.300 0.035 0.000 1.014 449 V CB 1.853 33.663 31.823 -0.023 0.000 1.057 449 V HN 0.164 nan 8.190 nan 0.000 0.438 450 A N 1.963 124.790 122.820 0.012 0.000 2.292 450 A HA 0.662 4.982 4.320 -0.000 0.000 0.319 450 A C 0.291 177.898 177.584 0.039 0.000 1.206 450 A CA -0.641 51.419 52.037 0.039 0.000 0.835 450 A CB 0.324 19.338 19.000 0.024 0.000 1.164 450 A HN 0.832 nan 8.150 nan 0.000 0.505 451 R N 1.247 121.788 120.500 0.068 0.000 2.442 451 R HA -0.068 4.272 4.340 -0.000 0.000 0.274 451 R C -0.005 176.333 176.300 0.064 0.000 0.944 451 R CA 1.162 57.307 56.100 0.074 0.000 1.097 451 R CB -0.093 30.258 30.300 0.084 0.000 0.847 451 R HN 0.744 nan 8.270 nan 0.000 0.430 452 T N -0.568 114.030 114.554 0.074 0.000 3.016 452 T HA 0.074 4.424 4.350 -0.000 0.000 0.271 452 T C 0.047 174.815 174.700 0.114 0.000 0.968 452 T CA 0.411 62.554 62.100 0.072 0.000 0.891 452 T CB 0.686 69.581 68.868 0.045 0.000 1.149 452 T HN 0.741 nan 8.240 nan 0.000 0.524 453 T N 0.321 114.947 114.554 0.120 0.000 2.827 453 T HA 0.411 4.761 4.350 -0.000 0.000 0.328 453 T C -0.840 173.923 174.700 0.106 0.000 1.598 453 T CA -0.662 61.515 62.100 0.129 0.000 1.043 453 T CB 0.721 69.632 68.868 0.072 0.000 1.447 453 T HN -0.214 nan 8.240 nan 0.000 0.491 454 L N 3.249 124.532 121.223 0.100 0.000 2.554 454 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 454 L C 2.346 179.226 176.870 0.017 0.000 1.104 454 L CA 0.361 55.239 54.840 0.065 0.000 0.866 454 L CB -1.358 40.747 42.059 0.076 0.000 1.047 454 L HN 0.633 nan 8.230 nan 0.000 0.468 455 L N 1.569 122.795 121.223 0.004 0.000 1.990 455 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 455 L C -0.167 176.602 176.870 -0.168 0.000 1.072 455 L CA 2.401 57.205 54.840 -0.060 0.000 0.755 455 L CB -1.550 40.476 42.059 -0.055 0.000 0.889 455 L HN 0.150 nan 8.230 nan 0.000 0.432 456 P HA -0.153 nan 4.420 nan 0.000 0.208 456 P C 1.691 178.892 177.300 -0.165 0.000 1.180 456 P CA 1.958 64.931 63.100 -0.211 0.000 0.935 456 P CB -0.476 31.273 31.700 0.082 0.000 0.785 457 G N -0.309 108.481 108.800 -0.017 0.000 2.556 457 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 457 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 457 G C 1.592 176.463 174.900 -0.049 0.000 1.156 457 G CA 1.054 46.161 45.100 0.011 0.000 0.766 457 G HN 0.208 nan 8.290 nan 0.000 0.583 458 L N -0.685 120.489 121.223 -0.081 0.000 2.012 458 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 458 L C 2.895 179.674 176.870 -0.152 0.000 1.073 458 L CA 0.576 55.359 54.840 -0.094 0.000 0.748 458 L CB -0.410 41.613 42.059 -0.061 0.000 0.891 458 L HN 0.164 nan 8.230 nan 0.000 0.431 459 L N -0.044 121.033 121.223 -0.245 0.000 1.971 459 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 459 L C 2.468 179.213 176.870 -0.209 0.000 1.072 459 L CA 1.833 56.482 54.840 -0.319 0.000 0.758 459 L CB -0.899 40.766 42.059 -0.657 0.000 0.889 459 L HN 0.164 nan 8.230 nan 0.000 0.433 460 K N -1.330 118.993 120.400 -0.128 0.000 2.228 460 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 460 K C 1.883 178.468 176.600 -0.027 0.000 1.045 460 K CA 1.756 58.052 56.287 0.014 0.000 0.931 460 K CB -0.516 32.038 32.500 0.089 0.000 0.727 460 K HN 0.401 nan 8.250 nan 0.000 0.458 461 T N 1.478 115.992 114.554 -0.067 0.000 2.812 461 T HA -0.018 4.332 4.350 -0.000 0.000 0.264 461 T C 1.925 176.553 174.700 -0.121 0.000 1.042 461 T CA 0.935 62.992 62.100 -0.073 0.000 1.140 461 T CB -0.139 68.680 68.868 -0.080 0.000 0.870 461 T HN 0.143 nan 8.240 nan 0.000 0.445 462 I N 1.746 122.195 120.570 -0.201 0.000 2.179 462 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 462 I C 2.989 178.954 176.117 -0.254 0.000 1.088 462 I CA 1.119 62.224 61.300 -0.326 0.000 1.357 462 I CB -0.640 36.987 38.000 -0.623 0.000 1.051 462 I HN 0.164 nan 8.210 nan 0.000 0.409 463 A N 0.975 123.687 122.820 -0.179 0.000 1.927 463 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 463 A C 2.413 179.964 177.584 -0.055 0.000 1.185 463 A CA 2.266 54.252 52.037 -0.084 0.000 0.639 463 A CB -0.865 18.130 19.000 -0.008 0.000 0.820 463 A HN 0.481 nan 8.150 nan 0.000 0.451 464 A N -1.397 121.393 122.820 -0.051 0.000 2.208 464 A HA 0.086 4.406 4.320 -0.000 0.000 0.209 464 A C 1.096 178.656 177.584 -0.040 0.000 1.161 464 A CA 0.531 52.549 52.037 -0.031 0.000 0.782 464 A CB -0.158 18.833 19.000 -0.015 0.000 0.816 464 A HN 0.485 nan 8.150 nan 0.000 0.477 465 N N -0.026 118.634 118.700 -0.067 0.000 2.480 465 N HA 0.098 4.838 4.740 -0.000 0.000 0.281 465 N C 0.567 176.043 175.510 -0.056 0.000 1.381 465 N CA -0.148 52.865 53.050 -0.060 0.000 0.903 465 N CB 0.431 38.873 38.487 -0.074 0.000 1.274 465 N HN 0.500 nan 8.380 nan 0.000 0.505 466 R N 0.957 121.434 120.500 -0.038 0.000 2.127 466 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 466 R C 1.688 177.992 176.300 0.006 0.000 1.134 466 R CA 1.107 57.204 56.100 -0.005 0.000 0.975 466 R CB -0.362 29.943 30.300 0.010 0.000 0.865 466 R HN 0.314 nan 8.270 nan 0.000 0.447 467 K N 0.087 120.484 120.400 -0.006 0.000 2.442 467 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 467 K C 0.470 177.066 176.600 -0.006 0.000 1.044 467 K CA 0.647 56.932 56.287 -0.004 0.000 0.948 467 K CB -0.000 32.495 32.500 -0.007 0.000 0.762 467 K HN 0.025 nan 8.250 nan 0.000 0.472 468 M N 2.283 121.876 119.600 -0.012 0.000 2.235 468 M HA 0.273 4.753 4.480 -0.000 0.000 0.351 468 M C -2.064 174.232 176.300 -0.007 0.000 1.178 468 M CA -2.952 52.339 55.300 -0.017 0.000 1.143 468 M CB 0.055 32.635 32.600 -0.034 0.000 1.530 468 M HN -0.140 nan 8.290 nan 0.000 0.461 469 P HA -0.022 nan 4.420 nan 0.000 0.271 469 P C 1.105 178.391 177.300 -0.022 0.000 1.212 469 P CA -0.106 62.983 63.100 -0.017 0.000 0.788 469 P CB 0.386 32.073 31.700 -0.023 0.000 0.865 470 L N 0.203 121.411 121.223 -0.025 0.000 2.350 470 L HA -0.209 4.131 4.340 -0.000 0.000 0.250 470 L C -1.081 175.747 176.870 -0.070 0.000 1.109 470 L CA 1.798 56.616 54.840 -0.037 0.000 0.820 470 L CB -2.221 39.819 42.059 -0.032 0.000 0.977 470 L HN 0.502 nan 8.230 nan 0.000 0.423 471 P HA 0.290 nan 4.420 nan 0.000 0.301 471 P C -1.213 175.923 177.300 -0.273 0.000 1.338 471 P CA -0.195 62.741 63.100 -0.273 0.000 0.834 471 P CB 1.306 32.763 31.700 -0.404 0.000 0.967 472 L N 4.249 125.341 121.223 -0.218 0.000 2.276 472 L HA 0.365 4.705 4.340 -0.000 0.000 0.286 472 L C 0.822 177.500 176.870 -0.320 0.000 1.061 472 L CA -0.272 54.455 54.840 -0.188 0.000 0.807 472 L CB 0.903 42.909 42.059 -0.088 0.000 1.177 472 L HN 0.265 nan 8.230 nan 0.000 0.429 473 K N 5.089 125.268 120.400 -0.369 0.000 2.530 473 K HA 0.458 4.778 4.320 -0.000 0.000 0.230 473 K C -1.326 175.121 176.600 -0.256 0.000 1.002 473 K CA -0.712 55.199 56.287 -0.627 0.000 1.014 473 K CB 1.448 33.214 32.500 -1.224 0.000 1.286 473 K HN 0.248 nan 8.250 nan 0.000 0.480 474 L N 3.172 124.413 121.223 0.029 0.000 2.334 474 L HA 0.649 4.989 4.340 -0.000 0.000 0.270 474 L C -0.432 176.706 176.870 0.448 0.000 1.018 474 L CA -0.614 54.336 54.840 0.183 0.000 0.811 474 L CB 0.661 42.737 42.059 0.029 0.000 1.271 474 L HN 0.525 nan 8.230 nan 0.000 0.443 475 F N -0.778 119.274 119.950 0.171 0.000 2.741 475 F HA 0.773 5.300 4.527 -0.000 0.000 0.311 475 F C -1.239 174.589 175.800 0.046 0.000 1.149 475 F CA -0.702 57.371 58.000 0.122 0.000 0.930 475 F CB 1.567 40.636 39.000 0.115 0.000 1.312 475 F HN 0.524 nan 8.300 nan 0.000 0.450 476 E N 2.186 122.293 120.200 -0.156 0.000 2.378 476 E HA 0.564 4.914 4.350 -0.000 0.000 0.283 476 E C -1.986 174.633 176.600 0.032 0.000 0.979 476 E CA -0.758 55.469 56.400 -0.289 0.000 0.795 476 E CB 2.544 32.127 29.700 -0.194 0.000 1.221 476 E HN 0.766 nan 8.360 nan 0.000 0.428 477 I N 2.745 123.333 120.570 0.029 0.000 2.502 477 I HA 0.343 4.513 4.170 -0.000 0.000 0.276 477 I C -0.351 175.775 176.117 0.014 0.000 1.057 477 I CA -0.136 61.212 61.300 0.079 0.000 1.163 477 I CB 1.379 39.446 38.000 0.111 0.000 1.288 477 I HN 0.254 nan 8.210 nan 0.000 0.479 478 S N 2.656 118.365 115.700 0.014 0.000 2.851 478 S HA 0.506 4.976 4.470 -0.000 0.000 0.313 478 S C -1.093 173.499 174.600 -0.014 0.000 1.163 478 S CA -0.710 57.483 58.200 -0.012 0.000 0.850 478 S CB 1.928 65.114 63.200 -0.024 0.000 1.245 478 S HN 0.412 nan 8.310 nan 0.000 0.558 479 D N 0.863 121.249 120.400 -0.023 0.000 2.294 479 D HA 0.646 5.286 4.640 -0.000 0.000 0.250 479 D C -0.532 175.763 176.300 -0.009 0.000 1.058 479 D CA -0.140 53.840 54.000 -0.035 0.000 0.950 479 D CB 0.877 41.664 40.800 -0.022 0.000 1.158 479 D HN 0.418 nan 8.370 nan 0.000 0.453 480 I N -1.908 118.651 120.570 -0.017 0.000 2.722 480 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 480 I C -1.049 175.107 176.117 0.064 0.000 1.161 480 I CA -1.064 60.257 61.300 0.035 0.000 1.032 480 I CB 1.672 39.719 38.000 0.077 0.000 1.244 480 I HN 0.093 nan 8.210 nan 0.000 0.421 481 V N 6.477 126.429 119.914 0.063 0.000 2.716 481 V HA 0.684 4.804 4.120 -0.000 0.000 0.304 481 V C -0.300 175.830 176.094 0.059 0.000 1.053 481 V CA -0.559 61.785 62.300 0.074 0.000 0.984 481 V CB 1.669 33.519 31.823 0.044 0.000 1.021 481 V HN 0.752 nan 8.190 nan 0.000 0.467 482 I N 3.863 124.480 120.570 0.080 0.000 2.913 482 I HA 0.405 4.575 4.170 -0.000 0.000 0.302 482 I C -0.713 175.439 176.117 0.058 0.000 1.246 482 I CA -1.003 60.321 61.300 0.040 0.000 1.010 482 I CB 2.588 40.583 38.000 -0.009 0.000 1.259 482 I HN 0.472 nan 8.210 nan 0.000 0.434 483 K N 2.960 123.380 120.400 0.033 0.000 2.249 483 K HA 0.262 4.582 4.320 -0.000 0.000 0.280 483 K C -0.980 175.654 176.600 0.056 0.000 1.033 483 K CA -0.318 55.993 56.287 0.040 0.000 0.946 483 K CB 0.780 33.299 32.500 0.030 0.000 1.005 483 K HN 0.400 nan 8.250 nan 0.000 0.469 484 D N 1.314 121.751 120.400 0.063 0.000 2.575 484 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 484 D C 0.041 176.371 176.300 0.049 0.000 1.279 484 D CA -0.303 53.739 54.000 0.070 0.000 0.925 484 D CB 1.553 42.413 40.800 0.101 0.000 1.261 484 D HN 0.339 nan 8.370 nan 0.000 0.567 485 S N 2.333 118.058 115.700 0.041 0.000 2.500 485 S HA -0.065 4.405 4.470 -0.000 0.000 0.239 485 S C 0.985 175.602 174.600 0.029 0.000 0.989 485 S CA 0.564 58.783 58.200 0.032 0.000 0.951 485 S CB -0.173 63.044 63.200 0.029 0.000 0.759 485 S HN 0.539 nan 8.310 nan 0.000 0.523 486 N N 1.865 120.584 118.700 0.033 0.000 2.453 486 N HA 0.101 4.841 4.740 -0.000 0.000 0.270 486 N C -0.693 174.830 175.510 0.021 0.000 1.195 486 N CA -0.102 52.963 53.050 0.026 0.000 0.902 486 N CB 0.701 39.204 38.487 0.028 0.000 1.186 486 N HN 0.282 nan 8.380 nan 0.000 0.510 487 T N -2.510 112.057 114.554 0.020 0.000 2.971 487 T HA 0.086 4.436 4.350 -0.000 0.000 0.304 487 T C 0.801 175.507 174.700 0.010 0.000 1.038 487 T CA -0.917 61.191 62.100 0.013 0.000 1.007 487 T CB 1.856 70.734 68.868 0.016 0.000 1.055 487 T HN 0.032 nan 8.240 nan 0.000 0.451 488 D N 2.234 122.636 120.400 0.003 0.000 2.220 488 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 488 D C 1.538 177.840 176.300 0.004 0.000 1.001 488 D CA 1.272 55.273 54.000 0.002 0.000 0.875 488 D CB -0.460 40.337 40.800 -0.004 0.000 0.921 488 D HN 0.351 nan 8.370 nan 0.000 0.454 489 V N -1.062 118.856 119.914 0.006 0.000 2.825 489 V HA 0.316 4.436 4.120 -0.000 0.000 0.246 489 V C 1.845 177.948 176.094 0.015 0.000 1.068 489 V CA 1.572 63.877 62.300 0.008 0.000 1.088 489 V CB 0.207 32.033 31.823 0.006 0.000 0.733 489 V HN 0.644 nan 8.190 nan 0.000 0.468 490 G N -0.807 108.005 108.800 0.020 0.000 2.229 490 G HA2 0.078 4.038 3.960 -0.000 0.000 0.189 490 G HA3 0.078 4.038 3.960 -0.000 0.000 0.189 490 G C 0.125 175.046 174.900 0.035 0.000 1.000 490 G CA 0.044 45.160 45.100 0.027 0.000 0.663 490 G HN 1.356 nan 8.290 nan 0.000 0.493 491 A N -0.567 122.274 122.820 0.036 0.000 2.566 491 A HA 0.928 5.248 4.320 -0.000 0.000 0.292 491 A C -0.645 176.975 177.584 0.060 0.000 1.112 491 A CA 0.164 52.232 52.037 0.052 0.000 0.707 491 A CB 1.938 20.962 19.000 0.040 0.000 1.302 491 A HN 0.861 nan 8.150 nan 0.000 0.409 492 K N 0.724 121.188 120.400 0.106 0.000 2.502 492 K HA 0.392 4.712 4.320 -0.000 0.000 0.257 492 K C -1.275 175.408 176.600 0.138 0.000 0.938 492 K CA -0.550 55.790 56.287 0.088 0.000 0.819 492 K CB 1.581 34.137 32.500 0.094 0.000 1.333 492 K HN 0.862 nan 8.250 nan 0.000 0.434 493 N N 2.000 120.703 118.700 0.004 0.000 2.508 493 N HA 0.300 5.040 4.740 -0.000 0.000 0.285 493 N C -1.428 174.015 175.510 -0.111 0.000 1.144 493 N CA -0.317 52.750 53.050 0.028 0.000 0.978 493 N CB 0.826 39.302 38.487 -0.019 0.000 1.180 493 N HN 0.321 nan 8.380 nan 0.000 0.484 494 Y N 0.172 120.377 120.300 -0.158 0.000 2.512 494 Y HA 0.322 4.872 4.550 0.000 0.000 0.348 494 Y C -0.003 175.686 175.900 -0.351 0.000 0.990 494 Y CA -0.896 57.055 58.100 -0.249 0.000 1.033 494 Y CB 1.349 39.608 38.460 -0.335 0.000 1.259 494 Y HN 0.172 nan 8.280 nan 0.000 0.461 495 R N 2.809 123.235 120.500 -0.123 0.000 2.235 495 R HA 0.249 4.589 4.340 -0.000 0.000 0.338 495 R C -1.071 175.228 176.300 -0.002 0.000 1.087 495 R CA -0.363 55.685 56.100 -0.086 0.000 0.948 495 R CB -0.289 29.980 30.300 -0.051 0.000 1.099 495 R HN 0.657 nan 8.270 nan 0.000 0.483 496 H N 2.260 121.376 119.070 0.077 0.000 2.463 496 H HA 0.283 4.839 4.556 0.000 0.000 0.332 496 H C -0.190 175.166 175.328 0.047 0.000 1.127 496 H CA -0.823 55.264 56.048 0.066 0.000 1.238 496 H CB 2.143 31.943 29.762 0.065 0.000 1.478 496 H HN 0.348 nan 8.280 nan 0.000 0.499 497 L N 3.048 124.372 121.223 0.168 0.000 2.280 497 L HA 0.388 4.728 4.340 -0.000 0.000 0.287 497 L C -0.786 176.143 176.870 0.099 0.000 1.023 497 L CA -0.473 54.431 54.840 0.106 0.000 0.819 497 L CB 0.458 42.523 42.059 0.011 0.000 1.212 497 L HN 0.607 nan 8.230 nan 0.000 0.420 498 C N 5.460 124.841 119.300 0.135 0.000 2.396 498 C HA 0.947 5.407 4.460 -0.000 0.000 0.321 498 C C 0.047 175.138 174.990 0.170 0.000 1.233 498 C CA -0.012 59.077 59.018 0.117 0.000 1.440 498 C CB 0.457 28.258 27.740 0.102 0.000 2.110 498 C HN 1.024 nan 8.230 nan 0.000 0.473 499 A N 4.357 127.277 122.820 0.166 0.000 2.430 499 A HA 0.966 5.286 4.320 -0.000 0.000 0.300 499 A C -0.745 177.012 177.584 0.289 0.000 1.124 499 A CA -0.166 52.035 52.037 0.274 0.000 0.766 499 A CB 1.649 20.758 19.000 0.182 0.000 1.328 499 A HN 2.054 nan 8.150 nan 0.000 0.424 500 V N -2.096 118.043 119.914 0.373 0.000 3.012 500 V HA 0.712 4.832 4.120 -0.000 0.000 0.307 500 V C -1.351 174.943 176.094 0.333 0.000 1.166 500 V CA -0.732 61.750 62.300 0.304 0.000 0.974 500 V CB 1.337 33.260 31.823 0.167 0.000 1.040 500 V HN 1.058 nan 8.190 nan 0.000 0.428 501 Y N 3.563 123.985 120.300 0.203 0.000 2.328 501 Y HA 0.724 5.274 4.550 0.000 0.000 0.333 501 Y C -1.433 174.566 175.900 0.165 0.000 0.958 501 Y CA -0.960 57.222 58.100 0.138 0.000 1.167 501 Y CB 1.783 40.331 38.460 0.145 0.000 1.151 501 Y HN 0.840 nan 8.280 nan 0.000 0.470 502 Y N 7.159 127.309 120.300 -0.250 0.000 2.328 502 Y HA 0.493 5.043 4.550 0.000 0.000 0.333 502 Y C -0.805 174.953 175.900 -0.236 0.000 0.958 502 Y CA -0.682 57.333 58.100 -0.143 0.000 1.167 502 Y CB 0.733 39.114 38.460 -0.131 0.000 1.151 502 Y HN 0.852 nan 8.280 nan 0.000 0.470 503 N N 2.867 121.366 118.700 -0.334 0.000 3.116 503 N HA 0.145 4.885 4.740 -0.000 0.000 0.244 503 N C 0.153 175.551 175.510 -0.186 0.000 1.485 503 N CA -0.726 52.195 53.050 -0.214 0.000 0.884 503 N CB 1.285 39.776 38.487 0.007 0.000 1.415 503 N HN 0.297 nan 8.380 nan 0.000 0.524 504 K N 0.279 120.615 120.400 -0.106 0.000 2.059 504 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 504 K C 0.353 176.915 176.600 -0.065 0.000 1.050 504 K CA 1.800 58.035 56.287 -0.087 0.000 0.927 504 K CB -0.988 31.488 32.500 -0.041 0.000 0.714 504 K HN 0.675 nan 8.250 nan 0.000 0.447 505 N N 0.307 119.007 118.700 -0.000 0.000 2.319 505 N HA 0.263 5.003 4.740 -0.000 0.000 0.305 505 N C -2.942 172.616 175.510 0.080 0.000 1.103 505 N CA -1.901 51.157 53.050 0.013 0.000 0.815 505 N CB 2.074 40.573 38.487 0.020 0.000 1.288 505 N HN -0.208 nan 8.380 nan 0.000 0.493 506 P HA 0.156 nan 4.420 nan 0.000 0.275 506 P C 0.115 177.445 177.300 0.050 0.000 1.227 506 P CA -0.180 62.998 63.100 0.130 0.000 0.781 506 P CB 1.001 32.760 31.700 0.098 0.000 0.906 507 G N 2.057 110.776 108.800 -0.135 0.000 3.639 507 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.279 507 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.279 507 G C 0.599 175.398 174.900 -0.169 0.000 1.312 507 G CA -0.373 44.404 45.100 -0.538 0.000 1.355 507 G HN 0.386 nan 8.290 nan 0.000 0.595 508 F N 1.808 121.712 119.950 -0.077 0.000 2.225 508 F HA -0.216 4.311 4.527 -0.000 0.000 0.302 508 F C 2.150 177.964 175.800 0.024 0.000 1.068 508 F CA 1.990 60.000 58.000 0.018 0.000 1.327 508 F CB 0.381 39.414 39.000 0.054 0.000 1.043 508 F HN 0.423 nan 8.300 nan 0.000 0.506 509 E N -0.062 120.093 120.200 -0.075 0.000 2.170 509 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 509 E C 2.206 178.748 176.600 -0.096 0.000 0.981 509 E CA 1.203 57.530 56.400 -0.120 0.000 0.830 509 E CB -0.678 28.992 29.700 -0.050 0.000 0.775 509 E HN 0.563 nan 8.360 nan 0.000 0.470 510 I N 0.368 120.854 120.570 -0.141 0.000 2.761 510 I HA -0.113 4.057 4.170 -0.000 0.000 0.261 510 I C 1.334 177.420 176.117 -0.051 0.000 1.198 510 I CA 0.683 61.916 61.300 -0.111 0.000 1.482 510 I CB 0.240 38.111 38.000 -0.215 0.000 1.100 510 I HN 0.087 nan 8.210 nan 0.000 0.445 511 I N 0.389 120.912 120.570 -0.079 0.000 2.480 511 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 511 I C 2.434 178.484 176.117 -0.111 0.000 1.124 511 I CA 1.278 62.571 61.300 -0.012 0.000 1.444 511 I CB -1.305 36.727 38.000 0.054 0.000 1.098 511 I HN 0.397 nan 8.210 nan 0.000 0.428 512 H N 1.106 119.985 119.070 -0.319 0.000 2.353 512 H HA -0.132 4.424 4.556 0.000 0.000 0.300 512 H C 2.015 177.245 175.328 -0.164 0.000 1.090 512 H CA 1.847 57.704 56.048 -0.318 0.000 1.327 512 H CB 0.084 29.581 29.762 -0.441 0.000 1.383 512 H HN 0.301 nan 8.280 nan 0.000 0.508 513 G N 0.942 109.703 108.800 -0.065 0.000 2.443 513 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 513 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 513 G C 1.831 176.658 174.900 -0.123 0.000 1.131 513 G CA 0.608 45.668 45.100 -0.065 0.000 0.775 513 G HN 0.390 nan 8.290 nan 0.000 0.547 514 L N 0.291 121.430 121.223 -0.139 0.000 2.027 514 L HA 0.178 4.518 4.340 -0.000 0.000 0.206 514 L C 2.570 179.286 176.870 -0.257 0.000 1.074 514 L CA 1.346 56.062 54.840 -0.206 0.000 0.745 514 L CB -0.442 41.469 42.059 -0.246 0.000 0.898 514 L HN 0.224 nan 8.230 nan 0.000 0.433 515 L N -0.930 120.136 121.223 -0.263 0.000 2.079 515 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 515 L C 2.065 178.732 176.870 -0.339 0.000 1.081 515 L CA 1.693 56.351 54.840 -0.302 0.000 0.752 515 L CB -0.529 41.363 42.059 -0.279 0.000 0.896 515 L HN 0.343 nan 8.230 nan 0.000 0.433 516 D N -0.444 119.792 120.400 -0.273 0.000 2.117 516 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 516 D C 2.187 178.378 176.300 -0.182 0.000 0.987 516 D CA 1.170 55.069 54.000 -0.169 0.000 0.829 516 D CB -0.034 40.723 40.800 -0.071 0.000 0.961 516 D HN 0.229 nan 8.370 nan 0.000 0.460 517 R N 0.993 121.386 120.500 -0.179 0.000 2.070 517 R HA -0.069 4.271 4.340 -0.000 0.000 0.233 517 R C 2.452 178.619 176.300 -0.221 0.000 1.137 517 R CA 0.959 56.959 56.100 -0.166 0.000 0.945 517 R CB -0.781 29.421 30.300 -0.163 0.000 0.845 517 R HN 0.129 nan 8.270 nan 0.000 0.430 518 I N 0.225 120.623 120.570 -0.287 0.000 2.145 518 I HA -0.392 3.778 4.170 -0.000 0.000 0.244 518 I C 2.166 178.056 176.117 -0.377 0.000 1.075 518 I CA 1.589 62.686 61.300 -0.338 0.000 1.332 518 I CB -0.350 37.420 38.000 -0.383 0.000 1.033 518 I HN 0.305 nan 8.210 nan 0.000 0.410 519 M N -0.332 118.993 119.600 -0.459 0.000 2.117 519 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 519 M C 2.298 178.444 176.300 -0.256 0.000 1.065 519 M CA 1.675 56.670 55.300 -0.509 0.000 1.114 519 M CB -1.247 30.752 32.600 -1.002 0.000 1.361 519 M HN 0.366 nan 8.290 nan 0.000 0.408 520 Q N 0.167 119.857 119.800 -0.183 0.000 2.135 520 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 520 Q C 1.986 177.932 176.000 -0.091 0.000 0.981 520 Q CA 1.110 56.863 55.803 -0.084 0.000 0.856 520 Q CB 0.125 28.825 28.738 -0.063 0.000 0.902 520 Q HN 0.321 nan 8.270 nan 0.000 0.425 521 L N 0.452 121.594 121.223 -0.134 0.000 2.046 521 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 521 L C 2.074 178.880 176.870 -0.107 0.000 1.077 521 L CA 1.460 56.228 54.840 -0.120 0.000 0.747 521 L CB -0.887 41.079 42.059 -0.154 0.000 0.896 521 L HN 0.373 nan 8.230 nan 0.000 0.432 522 L N -0.740 120.397 121.223 -0.143 0.000 2.627 522 L HA -0.010 4.330 4.340 -0.000 0.000 0.233 522 L C 0.273 177.132 176.870 -0.019 0.000 1.144 522 L CA -0.028 54.753 54.840 -0.098 0.000 0.892 522 L CB -0.461 41.485 42.059 -0.189 0.000 1.039 522 L HN 0.256 nan 8.230 nan 0.000 0.442 523 D N 0.580 120.966 120.400 -0.023 0.000 2.689 523 D HA -0.167 4.473 4.640 -0.000 0.000 0.237 523 D C -0.685 175.650 176.300 0.058 0.000 1.148 523 D CA 0.311 54.321 54.000 0.017 0.000 0.656 523 D CB -0.580 40.232 40.800 0.019 0.000 1.050 523 D HN -0.015 nan 8.370 nan 0.000 0.426 524 V N 2.223 122.178 119.914 0.069 0.000 2.313 524 V HA 0.439 4.559 4.120 -0.000 0.000 0.278 524 V C -1.580 174.662 176.094 0.247 0.000 1.017 524 V CA -1.276 61.119 62.300 0.158 0.000 0.823 524 V CB 1.519 33.457 31.823 0.192 0.000 1.010 524 V HN 0.171 nan 8.190 nan 0.000 0.443 525 P HA 0.163 nan 4.420 nan 0.000 0.268 525 P C -2.109 175.317 177.300 0.209 0.000 1.205 525 P CA -1.328 61.882 63.100 0.184 0.000 0.771 525 P CB 0.879 32.635 31.700 0.092 0.000 0.858 526 P HA -0.048 nan 4.420 nan 0.000 0.230 526 P C 0.993 178.078 177.300 -0.358 0.000 1.158 526 P CA 0.668 63.462 63.100 -0.510 0.000 0.769 526 P CB -0.108 31.393 31.700 -0.333 0.000 0.807 527 G N 0.688 109.404 108.800 -0.141 0.000 2.636 527 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.246 527 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.246 527 G C 0.653 175.503 174.900 -0.085 0.000 1.216 527 G CA -0.288 44.753 45.100 -0.098 0.000 0.854 527 G HN 0.118 nan 8.290 nan 0.000 0.572 528 E N -0.341 119.819 120.200 -0.067 0.000 2.435 528 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 528 E C 0.363 176.954 176.600 -0.015 0.000 1.029 528 E CA -0.047 56.326 56.400 -0.045 0.000 0.865 528 E CB 0.098 29.762 29.700 -0.060 0.000 0.833 528 E HN 0.616 nan 8.360 nan 0.000 0.510 529 D N 1.454 121.846 120.400 -0.013 0.000 2.054 529 D HA -0.127 4.513 4.640 -0.000 0.000 0.241 529 D C -0.025 176.283 176.300 0.014 0.000 1.276 529 D CA 0.581 54.580 54.000 -0.001 0.000 0.947 529 D CB 0.226 41.025 40.800 -0.002 0.000 1.340 529 D HN 0.075 nan 8.370 nan 0.000 0.538 530 K N -0.255 120.154 120.400 0.014 0.000 2.511 530 K HA 0.072 4.392 4.320 -0.000 0.000 0.277 530 K C 0.629 177.247 176.600 0.031 0.000 1.025 530 K CA 0.456 56.754 56.287 0.018 0.000 1.112 530 K CB -0.247 32.262 32.500 0.015 0.000 0.859 530 K HN 0.580 nan 8.250 nan 0.000 0.485 531 G N 2.746 111.564 108.800 0.030 0.000 2.421 531 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.300 531 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.300 531 G C 0.347 175.298 174.900 0.085 0.000 0.974 531 G CA 0.140 45.264 45.100 0.040 0.000 1.062 531 G HN 1.054 nan 8.290 nan 0.000 0.514 532 G N -0.825 108.026 108.800 0.086 0.000 2.410 532 G HA2 0.743 4.703 3.960 -0.000 0.000 0.330 532 G HA3 0.743 4.703 3.960 -0.000 0.000 0.330 532 G C -0.500 174.511 174.900 0.184 0.000 1.142 532 G CA -0.604 44.563 45.100 0.112 0.000 0.902 532 G HN 1.250 nan 8.290 nan 0.000 0.491 533 Y N 0.666 121.018 120.300 0.086 0.000 2.328 533 Y HA 0.672 5.222 4.550 0.000 0.000 0.336 533 Y C -0.558 175.398 175.900 0.093 0.000 0.960 533 Y CA -1.675 56.494 58.100 0.116 0.000 1.134 533 Y CB 1.888 40.430 38.460 0.136 0.000 1.166 533 Y HN 0.607 nan 8.280 nan 0.000 0.464 534 V N 3.334 123.320 119.914 0.119 0.000 2.789 534 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 534 V C -0.923 175.270 176.094 0.165 0.000 1.073 534 V CA -1.247 61.054 62.300 0.002 0.000 0.921 534 V CB 1.574 33.362 31.823 -0.057 0.000 1.009 534 V HN 0.727 nan 8.190 nan 0.000 0.426 535 I N 3.037 123.680 120.570 0.123 0.000 2.301 535 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 535 I C 0.330 176.523 176.117 0.127 0.000 1.046 535 I CA -0.140 61.273 61.300 0.188 0.000 1.282 535 I CB 0.552 38.691 38.000 0.230 0.000 1.409 535 I HN 0.583 nan 8.210 nan 0.000 0.484 536 K N 5.279 125.768 120.400 0.149 0.000 2.425 536 K HA 0.714 5.034 4.320 -0.000 0.000 0.259 536 K C -0.153 176.503 176.600 0.093 0.000 0.978 536 K CA -0.730 55.590 56.287 0.054 0.000 0.883 536 K CB 1.702 34.147 32.500 -0.091 0.000 1.110 536 K HN 0.777 nan 8.250 nan 0.000 0.436 537 A N 2.215 125.073 122.820 0.063 0.000 2.603 537 A HA 0.094 4.414 4.320 -0.000 0.000 0.235 537 A C 0.178 177.785 177.584 0.038 0.000 1.035 537 A CA 0.703 52.772 52.037 0.054 0.000 0.755 537 A CB 0.272 19.290 19.000 0.030 0.000 0.954 537 A HN 0.621 nan 8.150 nan 0.000 0.511 538 S N -0.109 115.603 115.700 0.020 0.000 2.688 538 S HA 0.564 5.034 4.470 -0.000 0.000 0.275 538 S C -1.439 173.146 174.600 -0.025 0.000 1.175 538 S CA -0.504 57.702 58.200 0.011 0.000 0.818 538 S CB 1.440 64.666 63.200 0.044 0.000 1.157 538 S HN 0.917 nan 8.310 nan 0.000 0.482 539 E N -0.186 120.004 120.200 -0.016 0.000 2.195 539 E HA 0.706 5.056 4.350 -0.000 0.000 0.271 539 E C -0.555 176.052 176.600 0.011 0.000 0.923 539 E CA -0.387 56.003 56.400 -0.016 0.000 0.790 539 E CB 1.582 31.272 29.700 -0.017 0.000 1.155 539 E HN 0.833 nan 8.360 nan 0.000 0.402 540 G N 3.647 112.485 108.800 0.064 0.000 2.719 540 G HA2 0.381 4.341 3.960 -0.000 0.000 0.298 540 G HA3 0.381 4.341 3.960 -0.000 0.000 0.298 540 G C -2.169 172.859 174.900 0.213 0.000 1.433 540 G CA -1.457 43.758 45.100 0.192 0.000 1.034 540 G HN 0.487 nan 8.290 nan 0.000 0.517 541 P HA 0.036 nan 4.420 nan 0.000 0.239 541 P C 1.045 178.380 177.300 0.057 0.000 1.184 541 P CA 0.854 63.985 63.100 0.053 0.000 0.760 541 P CB 0.694 32.423 31.700 0.047 0.000 0.884 542 A N -1.548 121.343 122.820 0.118 0.000 2.419 542 A HA 0.377 4.697 4.320 -0.000 0.000 0.233 542 A C 0.234 177.679 177.584 -0.231 0.000 1.217 542 A CA -0.152 51.840 52.037 -0.076 0.000 0.944 542 A CB 0.053 18.910 19.000 -0.238 0.000 1.025 542 A HN 0.037 nan 8.150 nan 0.000 0.524 543 F N -1.269 118.747 119.950 0.110 0.000 2.508 543 F HA 0.541 5.068 4.527 -0.000 0.000 0.325 543 F C -0.165 175.723 175.800 0.147 0.000 1.090 543 F CA -1.765 56.323 58.000 0.146 0.000 0.945 543 F CB 0.932 39.985 39.000 0.088 0.000 1.156 543 F HN 0.116 nan 8.300 nan 0.000 0.463 544 F N 5.223 125.326 119.950 0.256 0.000 2.590 544 F HA 0.256 4.783 4.527 -0.000 0.000 0.389 544 F C -2.108 173.739 175.800 0.078 0.000 1.049 544 F CA -2.559 55.563 58.000 0.203 0.000 1.199 544 F CB 0.031 39.117 39.000 0.142 0.000 1.058 544 F HN 0.247 nan 8.300 nan 0.000 0.556 545 P HA 0.080 nan 4.420 nan 0.000 0.263 545 P C 0.458 177.557 177.300 -0.335 0.000 1.168 545 P CA 1.711 64.598 63.100 -0.355 0.000 0.759 545 P CB 0.296 31.755 31.700 -0.401 0.000 0.782 546 G N 2.687 111.381 108.800 -0.176 0.000 2.168 546 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 546 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 546 G C 0.343 175.168 174.900 -0.123 0.000 0.977 546 G CA -0.123 44.902 45.100 -0.125 0.000 0.659 546 G HN 0.636 nan 8.290 nan 0.000 0.533 547 R N -0.880 119.518 120.500 -0.171 0.000 2.711 547 R HA 0.477 4.817 4.340 -0.000 0.000 0.350 547 R C -0.324 175.701 176.300 -0.458 0.000 1.146 547 R CA 0.201 56.024 56.100 -0.461 0.000 1.190 547 R CB 0.356 30.441 30.300 -0.358 0.000 1.312 547 R HN 0.567 nan 8.270 nan 0.000 0.635 548 C N 0.428 119.612 119.300 -0.193 0.000 2.782 548 C HA 0.880 5.340 4.460 -0.000 0.000 0.328 548 C C -0.946 174.015 174.990 -0.048 0.000 1.145 548 C CA -0.140 58.777 59.018 -0.169 0.000 1.358 548 C CB 1.267 28.865 27.740 -0.238 0.000 1.841 548 C HN 0.673 nan 8.230 nan 0.000 0.477 549 A N 3.833 126.647 122.820 -0.011 0.000 2.532 549 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 549 A C -1.355 176.243 177.584 0.025 0.000 1.143 549 A CA -0.439 51.639 52.037 0.067 0.000 0.728 549 A CB 1.533 20.647 19.000 0.190 0.000 1.317 549 A HN 0.959 nan 8.150 nan 0.000 0.414 550 E N 0.442 120.718 120.200 0.127 0.000 2.212 550 E HA 0.552 4.902 4.350 -0.000 0.000 0.268 550 E C -1.165 175.566 176.600 0.218 0.000 0.902 550 E CA -0.705 55.768 56.400 0.121 0.000 0.779 550 E CB 1.053 30.886 29.700 0.222 0.000 1.172 550 E HN 0.511 nan 8.360 nan 0.000 0.409 551 I N 3.793 124.389 120.570 0.042 0.000 2.331 551 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 551 I C -0.580 175.535 176.117 -0.004 0.000 0.998 551 I CA -0.392 60.986 61.300 0.131 0.000 1.267 551 I CB -0.205 37.842 38.000 0.079 0.000 1.386 551 I HN 0.443 nan 8.210 nan 0.000 0.476 552 F N 3.982 124.001 119.950 0.114 0.000 2.520 552 F HA 0.822 5.349 4.527 0.000 0.000 0.322 552 F C 0.310 176.184 175.800 0.123 0.000 1.103 552 F CA -0.555 57.497 58.000 0.087 0.000 0.926 552 F CB 2.157 41.188 39.000 0.052 0.000 1.154 552 F HN 0.649 nan 8.300 nan 0.000 0.453 553 A N 1.764 124.711 122.820 0.211 0.000 2.586 553 A HA 0.651 4.971 4.320 -0.000 0.000 0.291 553 A C -0.376 177.196 177.584 -0.020 0.000 1.062 553 A CA -1.153 50.965 52.037 0.134 0.000 0.666 553 A CB 1.063 20.172 19.000 0.182 0.000 1.281 553 A HN 0.773 nan 8.150 nan 0.000 0.421 554 R N 0.129 120.604 120.500 -0.041 0.000 3.184 554 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 554 R C 1.031 177.303 176.300 -0.046 0.000 0.907 554 R CA 1.259 57.309 56.100 -0.083 0.000 0.618 554 R CB -2.052 28.119 30.300 -0.216 0.000 1.016 554 R HN 2.550 nan 8.270 nan 0.000 0.469 555 G N 0.166 108.976 108.800 0.017 0.000 2.273 555 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.280 555 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.280 555 G C -0.019 174.912 174.900 0.051 0.000 1.047 555 G CA 1.048 46.173 45.100 0.042 0.000 0.869 555 G HN 0.843 nan 8.290 nan 0.000 0.502 556 Q N -2.288 117.550 119.800 0.063 0.000 2.848 556 Q HA 0.577 4.917 4.340 -0.000 0.000 0.288 556 Q C -0.657 175.275 176.000 -0.113 0.000 0.907 556 Q CA -0.322 55.490 55.803 0.015 0.000 0.792 556 Q CB 0.201 28.923 28.738 -0.027 0.000 1.534 556 Q HN 0.854 nan 8.270 nan 0.000 0.419 557 S N 0.229 115.761 115.700 -0.280 0.000 2.505 557 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 557 S C 0.241 174.681 174.600 -0.267 0.000 1.274 557 S CA -0.129 57.728 58.200 -0.571 0.000 1.053 557 S CB 0.822 63.694 63.200 -0.547 0.000 0.919 557 S HN 0.457 nan 8.310 nan 0.000 0.490 558 V N 4.678 124.466 119.914 -0.210 0.000 2.690 558 V HA 0.422 4.542 4.120 -0.000 0.000 0.240 558 V C 1.371 177.438 176.094 -0.045 0.000 1.078 558 V CA 1.184 63.465 62.300 -0.032 0.000 1.102 558 V CB -0.194 31.706 31.823 0.129 0.000 0.800 558 V HN 0.954 nan 8.190 nan 0.000 0.479 559 G N 0.130 108.874 108.800 -0.093 0.000 2.634 559 G HA2 0.523 4.483 3.960 -0.000 0.000 0.309 559 G HA3 0.523 4.483 3.960 -0.000 0.000 0.309 559 G C -1.663 173.180 174.900 -0.095 0.000 1.299 559 G CA -0.690 44.352 45.100 -0.097 0.000 0.798 559 G HN 0.274 nan 8.290 nan 0.000 0.490 560 K N -0.288 120.074 120.400 -0.065 0.000 2.376 560 K HA 0.753 5.073 4.320 -0.000 0.000 0.257 560 K C -1.346 175.228 176.600 -0.043 0.000 0.939 560 K CA -0.821 55.416 56.287 -0.085 0.000 0.809 560 K CB 2.815 35.276 32.500 -0.065 0.000 1.121 560 K HN 0.436 nan 8.250 nan 0.000 0.425 561 L N 2.391 123.574 121.223 -0.066 0.000 2.341 561 L HA 0.763 5.103 4.340 -0.000 0.000 0.278 561 L C -0.642 176.292 176.870 0.106 0.000 1.005 561 L CA -0.047 54.835 54.840 0.070 0.000 0.818 561 L CB 1.725 43.835 42.059 0.085 0.000 1.259 561 L HN 1.089 nan 8.230 nan 0.000 0.418 562 G N 2.985 112.038 108.800 0.421 0.000 2.349 562 G HA2 0.352 4.312 3.960 -0.000 0.000 0.294 562 G HA3 0.352 4.312 3.960 -0.000 0.000 0.294 562 G C -2.086 173.276 174.900 0.771 0.000 1.380 562 G CA -0.580 44.843 45.100 0.539 0.000 0.811 562 G HN 0.349 nan 8.290 nan 0.000 0.519 563 V N 1.423 121.607 119.914 0.449 0.000 2.370 563 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 563 V C 0.803 177.095 176.094 0.329 0.000 1.029 563 V CA -0.588 61.910 62.300 0.331 0.000 0.870 563 V CB 1.055 32.922 31.823 0.074 0.000 0.984 563 V HN 0.608 nan 8.190 nan 0.000 0.451 564 L N 4.471 125.790 121.223 0.160 0.000 2.559 564 L HA 0.072 4.412 4.340 -0.000 0.000 0.282 564 L C 0.585 177.517 176.870 0.104 0.000 1.232 564 L CA 0.027 54.860 54.840 -0.011 0.000 0.885 564 L CB -0.181 41.865 42.059 -0.022 0.000 1.131 564 L HN 0.688 nan 8.230 nan 0.000 0.498 565 H N 5.788 124.869 119.070 0.019 0.000 2.803 565 H HA 0.115 4.671 4.556 -0.000 0.000 0.330 565 H C -1.782 173.597 175.328 0.085 0.000 1.057 565 H CA -1.627 54.496 56.048 0.126 0.000 1.458 565 H CB 1.109 30.943 29.762 0.120 0.000 1.470 565 H HN 0.270 nan 8.280 nan 0.000 0.560 566 P HA -0.229 nan 4.420 nan 0.000 0.219 566 P C 0.650 177.783 177.300 -0.278 0.000 1.151 566 P CA 1.918 64.815 63.100 -0.337 0.000 0.850 566 P CB 0.325 31.827 31.700 -0.329 0.000 0.784 567 D N -1.140 118.997 120.400 -0.439 0.000 2.078 567 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 567 D C 1.964 178.282 176.300 0.030 0.000 0.990 567 D CA 1.616 55.561 54.000 -0.091 0.000 0.827 567 D CB -1.077 39.797 40.800 0.125 0.000 0.975 567 D HN 0.087 nan 8.370 nan 0.000 0.451 568 V N 0.378 120.354 119.914 0.103 0.000 2.407 568 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 568 V C 2.228 178.483 176.094 0.269 0.000 1.055 568 V CA 1.594 64.020 62.300 0.211 0.000 1.049 568 V CB -0.997 30.952 31.823 0.209 0.000 0.662 568 V HN 0.292 nan 8.190 nan 0.000 0.455 569 I N 2.518 123.168 120.570 0.133 0.000 2.493 569 I HA -0.113 4.057 4.170 -0.000 0.000 0.254 569 I C 2.283 178.482 176.117 0.137 0.000 1.160 569 I CA 2.393 63.777 61.300 0.140 0.000 1.445 569 I CB -0.855 37.191 38.000 0.077 0.000 1.086 569 I HN 0.556 nan 8.210 nan 0.000 0.433 570 T N -2.370 112.230 114.554 0.076 0.000 2.976 570 T HA 0.063 4.413 4.350 -0.000 0.000 0.257 570 T C 1.771 176.493 174.700 0.037 0.000 1.051 570 T CA 0.460 62.588 62.100 0.047 0.000 1.141 570 T CB -0.513 68.357 68.868 0.004 0.000 0.881 570 T HN 0.331 nan 8.240 nan 0.000 0.461 571 K N 0.237 120.647 120.400 0.016 0.000 2.519 571 K HA 0.079 4.399 4.320 -0.000 0.000 0.196 571 K C 0.292 176.755 176.600 -0.229 0.000 1.041 571 K CA 0.748 56.972 56.287 -0.104 0.000 0.954 571 K CB -0.216 32.196 32.500 -0.147 0.000 0.774 571 K HN 0.442 nan 8.250 nan 0.000 0.480 572 F N 1.133 121.080 119.950 -0.005 0.000 2.708 572 F HA 0.125 4.652 4.527 -0.000 0.000 0.300 572 F C -0.333 175.461 175.800 -0.010 0.000 1.118 572 F CA -0.391 57.603 58.000 -0.010 0.000 1.307 572 F CB 0.231 39.225 39.000 -0.011 0.000 0.986 572 F HN -0.030 nan 8.300 nan 0.000 0.522 573 E N 1.187 121.451 120.200 0.106 0.000 2.228 573 E HA -0.230 4.120 4.350 -0.000 0.000 0.213 573 E C -0.608 176.047 176.600 0.092 0.000 1.282 573 E CA 0.184 56.627 56.400 0.071 0.000 0.707 573 E CB -1.553 28.170 29.700 0.038 0.000 1.150 573 E HN 0.444 nan 8.360 nan 0.000 0.362 574 L N -0.826 120.472 121.223 0.125 0.000 2.313 574 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 574 L C 1.523 178.489 176.870 0.160 0.000 1.010 574 L CA -0.698 54.243 54.840 0.168 0.000 0.814 574 L CB 1.664 43.864 42.059 0.234 0.000 1.304 574 L HN 0.009 nan 8.230 nan 0.000 0.441 575 T N -0.538 114.147 114.554 0.217 0.000 3.246 575 T HA 0.185 4.535 4.350 -0.000 0.000 0.231 575 T C 0.618 175.313 174.700 -0.008 0.000 0.986 575 T CA 0.066 62.221 62.100 0.093 0.000 1.340 575 T CB -0.068 68.847 68.868 0.079 0.000 1.063 575 T HN 0.195 nan 8.240 nan 0.000 0.427 576 M N 2.468 121.964 119.600 -0.174 0.000 2.184 576 M HA 0.232 4.712 4.480 -0.000 0.000 0.296 576 M C -2.039 174.089 176.300 -0.286 0.000 1.165 576 M CA -2.167 52.910 55.300 -0.372 0.000 1.175 576 M CB -0.326 31.829 32.600 -0.742 0.000 1.392 576 M HN 0.094 nan 8.290 nan 0.000 0.457 577 P HA 0.228 nan 4.420 nan 0.000 0.277 577 P C -1.087 176.183 177.300 -0.049 0.000 1.276 577 P CA -0.469 62.563 63.100 -0.113 0.000 0.788 577 P CB 0.899 32.532 31.700 -0.112 0.000 1.114 578 C N -0.723 118.612 119.300 0.058 0.000 2.985 578 C HA 0.466 4.926 4.460 -0.000 0.000 0.332 578 C C -0.695 174.425 174.990 0.216 0.000 1.164 578 C CA -0.020 59.099 59.018 0.169 0.000 1.347 578 C CB 1.286 29.153 27.740 0.210 0.000 1.764 578 C HN 0.572 nan 8.230 nan 0.000 0.489 579 S N 2.439 118.321 115.700 0.304 0.000 2.473 579 S HA 0.778 5.248 4.470 -0.000 0.000 0.307 579 S C -0.293 174.519 174.600 0.354 0.000 1.094 579 S CA -0.396 58.027 58.200 0.372 0.000 1.070 579 S CB 1.671 65.097 63.200 0.377 0.000 1.019 579 S HN 1.007 nan 8.310 nan 0.000 0.480 580 S N 2.608 118.534 115.700 0.377 0.000 2.806 580 S HA 0.921 5.391 4.470 -0.000 0.000 0.315 580 S C -1.209 173.568 174.600 0.295 0.000 1.127 580 S CA -0.739 57.648 58.200 0.312 0.000 0.918 580 S CB 1.426 64.784 63.200 0.264 0.000 1.240 580 S HN 0.755 nan 8.310 nan 0.000 0.552 581 L N 0.101 121.451 121.223 0.213 0.000 2.666 581 L HA 0.679 5.019 4.340 -0.000 0.000 0.259 581 L C -1.664 175.255 176.870 0.082 0.000 0.919 581 L CA -0.011 54.905 54.840 0.127 0.000 0.927 581 L CB 1.648 43.741 42.059 0.056 0.000 1.423 581 L HN 1.027 nan 8.230 nan 0.000 0.426 582 E N 5.449 125.673 120.200 0.039 0.000 2.378 582 E HA 0.514 4.864 4.350 -0.000 0.000 0.282 582 E C -1.600 174.954 176.600 -0.075 0.000 0.910 582 E CA -0.481 55.909 56.400 -0.016 0.000 0.816 582 E CB 1.143 30.823 29.700 -0.033 0.000 1.359 582 E HN 0.719 nan 8.360 nan 0.000 0.397 583 I N 0.987 121.533 120.570 -0.039 0.000 2.562 583 I HA 0.575 4.745 4.170 -0.000 0.000 0.301 583 I C -0.359 175.834 176.117 0.126 0.000 1.003 583 I CA -1.162 60.141 61.300 0.006 0.000 1.127 583 I CB 1.733 39.727 38.000 -0.009 0.000 1.304 583 I HN 0.281 nan 8.210 nan 0.000 0.446 584 N N 5.417 124.253 118.700 0.226 0.000 2.439 584 N HA 0.239 4.979 4.740 -0.000 0.000 0.243 584 N C 0.733 176.451 175.510 0.347 0.000 1.088 584 N CA -0.637 52.669 53.050 0.427 0.000 0.940 584 N CB 0.615 39.353 38.487 0.418 0.000 1.180 584 N HN 0.812 nan 8.380 nan 0.000 0.505 585 I N 1.010 121.741 120.570 0.268 0.000 3.334 585 I HA 0.166 4.336 4.170 -0.000 0.000 0.282 585 I C 1.556 177.836 176.117 0.272 0.000 1.313 585 I CA 0.292 61.757 61.300 0.274 0.000 1.396 585 I CB -0.358 37.689 38.000 0.078 0.000 1.054 585 I HN 0.433 nan 8.210 nan 0.000 0.495 586 G N 2.820 111.729 108.800 0.182 0.000 2.514 586 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 586 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 586 G C -0.379 174.554 174.900 0.055 0.000 1.198 586 G CA 1.161 46.310 45.100 0.081 0.000 0.780 586 G HN 0.418 nan 8.290 nan 0.000 0.565 587 P HA -0.030 nan 4.420 nan 0.000 0.223 587 P C 0.975 178.123 177.300 -0.253 0.000 1.144 587 P CA 0.619 63.624 63.100 -0.158 0.000 0.783 587 P CB -0.140 31.397 31.700 -0.272 0.000 0.771 588 F N -1.737 118.209 119.950 -0.007 0.000 2.811 588 F HA 0.074 4.601 4.527 -0.000 0.000 0.301 588 F C 1.547 177.333 175.800 -0.023 0.000 1.151 588 F CA 0.012 58.001 58.000 -0.019 0.000 1.412 588 F CB -0.578 38.401 39.000 -0.035 0.000 1.113 588 F HN -0.132 nan 8.300 nan 0.000 0.579 589 L N 0.000 121.282 121.223 0.099 0.000 2.949 589 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 589 L CA 0.000 54.870 54.840 0.051 0.000 0.813 589 L CB 0.000 42.069 42.059 0.016 0.000 0.961 589 L HN 0.000 nan 8.230 nan 0.000 0.502