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_D 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 0.006 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 P HA 0.262 nan 4.420 nan 0.000 0.267 2 P C -0.575 176.743 177.300 0.030 0.000 1.209 2 P CA 0.591 63.706 63.100 0.025 0.000 0.763 2 P CB 0.891 32.610 31.700 0.032 0.000 0.816 3 T N 2.192 116.769 114.554 0.039 0.000 2.859 3 T HA 0.477 4.827 4.350 -0.000 0.000 0.281 3 T C -0.325 174.414 174.700 0.064 0.000 1.005 3 T CA -0.523 61.607 62.100 0.050 0.000 1.025 3 T CB 1.221 70.118 68.868 0.048 0.000 0.977 3 T HN -0.015 nan 8.240 nan 0.000 0.458 4 V N 2.675 122.639 119.914 0.083 0.000 2.447 4 V HA 0.361 4.481 4.120 -0.000 0.000 0.292 4 V C -0.074 176.090 176.094 0.117 0.000 1.021 4 V CA -0.744 61.613 62.300 0.096 0.000 0.850 4 V CB 1.842 33.727 31.823 0.103 0.000 1.005 4 V HN 0.994 nan 8.190 nan 0.000 0.426 5 S N 4.029 119.790 115.700 0.101 0.000 2.537 5 S HA 0.706 5.176 4.470 -0.000 0.000 0.275 5 S C -0.228 174.432 174.600 0.100 0.000 1.272 5 S CA -0.498 57.763 58.200 0.103 0.000 1.050 5 S CB 1.458 64.703 63.200 0.075 0.000 0.961 5 S HN 0.894 nan 8.310 nan 0.000 0.496 6 V N 0.915 120.889 119.914 0.099 0.000 2.808 6 V HA 0.548 4.668 4.120 -0.000 0.000 0.308 6 V C -0.844 175.239 176.094 -0.019 0.000 1.099 6 V CA -1.321 61.021 62.300 0.069 0.000 0.920 6 V CB 1.493 33.386 31.823 0.116 0.000 1.014 6 V HN 0.732 nan 8.190 nan 0.000 0.425 7 K N 3.413 123.787 120.400 -0.042 0.000 2.395 7 K HA 0.150 4.470 4.320 -0.000 0.000 0.283 7 K C 1.185 177.641 176.600 -0.240 0.000 1.068 7 K CA 0.005 56.218 56.287 -0.124 0.000 1.039 7 K CB 0.857 33.310 32.500 -0.079 0.000 0.924 7 K HN 0.780 nan 8.250 nan 0.000 0.468 8 R N 3.035 123.265 120.500 -0.450 0.000 2.148 8 R HA -0.251 4.088 4.340 -0.000 0.000 0.230 8 R C 0.827 176.657 176.300 -0.784 0.000 1.120 8 R CA 2.505 58.110 56.100 -0.825 0.000 0.902 8 R CB -0.103 29.497 30.300 -1.167 0.000 0.839 8 R HN 0.644 nan 8.270 nan 0.000 0.431 9 D N 0.637 120.661 120.400 -0.626 0.000 2.191 9 D HA -0.246 4.393 4.640 -0.000 0.000 0.195 9 D C 1.889 178.067 176.300 -0.205 0.000 1.003 9 D CA 1.295 55.048 54.000 -0.411 0.000 0.867 9 D CB -0.344 40.306 40.800 -0.250 0.000 0.926 9 D HN 0.342 nan 8.370 nan 0.000 0.450 10 L N 0.047 121.173 121.223 -0.161 0.000 2.023 10 L HA -0.072 4.267 4.340 -0.000 0.000 0.205 10 L C 2.413 179.291 176.870 0.013 0.000 1.073 10 L CA 0.725 55.535 54.840 -0.051 0.000 0.745 10 L CB -0.200 41.839 42.059 -0.033 0.000 0.900 10 L HN 0.072 nan 8.230 nan 0.000 0.435 11 L N -0.606 120.620 121.223 0.006 0.000 1.971 11 L HA -0.334 4.006 4.340 -0.000 0.000 0.215 11 L C 2.525 179.557 176.870 0.271 0.000 1.072 11 L CA 1.984 56.906 54.840 0.137 0.000 0.758 11 L CB -0.462 41.678 42.059 0.135 0.000 0.889 11 L HN 0.212 nan 8.230 nan 0.000 0.433 12 F N -0.348 119.555 119.950 -0.078 0.000 2.095 12 F HA -0.347 4.179 4.527 -0.000 0.000 0.298 12 F C 2.826 178.574 175.800 -0.086 0.000 1.104 12 F CA 1.374 59.311 58.000 -0.106 0.000 1.232 12 F CB -0.366 38.547 39.000 -0.146 0.000 0.987 12 F HN 0.300 nan 8.300 nan 0.000 0.475 13 Q N 0.776 120.663 119.800 0.145 0.000 2.096 13 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 13 Q C 2.312 178.350 176.000 0.062 0.000 0.982 13 Q CA 1.550 57.393 55.803 0.066 0.000 0.850 13 Q CB -0.230 28.528 28.738 0.034 0.000 0.901 13 Q HN 0.383 nan 8.270 nan 0.000 0.422 14 A N 0.665 123.536 122.820 0.084 0.000 1.908 14 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 14 A C 2.018 179.653 177.584 0.084 0.000 1.181 14 A CA 1.507 53.597 52.037 0.089 0.000 0.627 14 A CB -0.739 18.326 19.000 0.109 0.000 0.818 14 A HN 0.452 nan 8.150 nan 0.000 0.445 15 L N -2.005 119.273 121.223 0.092 0.000 2.023 15 L HA 0.125 4.465 4.340 -0.000 0.000 0.205 15 L C 1.804 178.686 176.870 0.020 0.000 1.073 15 L CA 1.059 55.944 54.840 0.075 0.000 0.745 15 L CB -0.575 41.548 42.059 0.107 0.000 0.900 15 L HN 0.636 nan 8.230 nan 0.000 0.435 16 G N -0.047 108.741 108.800 -0.020 0.000 2.157 16 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.118 16 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.118 16 G C -0.065 174.770 174.900 -0.107 0.000 1.032 16 G CA -0.511 44.566 45.100 -0.039 0.000 0.697 16 G HN 0.253 nan 8.290 nan 0.000 0.495 17 R N -1.412 118.961 120.500 -0.213 0.000 2.741 17 R HA 0.685 5.025 4.340 -0.000 0.000 0.274 17 R C -1.369 174.612 176.300 -0.532 0.000 1.029 17 R CA -0.324 55.548 56.100 -0.380 0.000 0.880 17 R CB 1.316 31.278 30.300 -0.563 0.000 1.264 17 R HN 0.253 nan 8.270 nan 0.000 0.465 18 T N 0.671 114.903 114.554 -0.536 0.000 2.824 18 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 18 T C -1.552 172.785 174.700 -0.604 0.000 0.993 18 T CA -0.377 61.470 62.100 -0.421 0.000 0.967 18 T CB 0.462 69.306 68.868 -0.041 0.000 0.960 18 T HN 0.289 nan 8.240 nan 0.000 0.441 19 Y N 2.182 122.062 120.300 -0.700 0.000 2.429 19 Y HA 0.473 5.023 4.550 -0.000 0.000 0.342 19 Y C 1.207 177.126 175.900 0.031 0.000 1.004 19 Y CA -1.013 56.872 58.100 -0.358 0.000 1.075 19 Y CB 1.653 39.842 38.460 -0.453 0.000 1.214 19 Y HN 0.580 nan 8.280 nan 0.000 0.455 20 T N 1.245 115.958 114.554 0.265 0.000 2.802 20 T HA 0.002 4.352 4.350 -0.000 0.000 0.305 20 T C 0.394 175.262 174.700 0.280 0.000 1.053 20 T CA -0.186 62.052 62.100 0.230 0.000 1.058 20 T CB 0.399 69.354 68.868 0.144 0.000 0.988 20 T HN 0.544 nan 8.240 nan 0.000 0.539 21 D N 0.529 121.082 120.400 0.255 0.000 2.392 21 D HA 0.011 4.651 4.640 -0.000 0.000 0.228 21 D C 1.523 177.904 176.300 0.135 0.000 1.003 21 D CA 0.724 54.871 54.000 0.246 0.000 0.917 21 D CB 0.197 41.128 40.800 0.218 0.000 0.890 21 D HN 0.453 nan 8.370 nan 0.000 0.532 22 E N -0.156 120.107 120.200 0.105 0.000 2.152 22 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 22 E C 1.682 178.290 176.600 0.013 0.000 0.934 22 E CA 0.287 56.709 56.400 0.036 0.000 0.869 22 E CB -0.014 29.699 29.700 0.021 0.000 0.842 22 E HN 0.187 nan 8.360 nan 0.000 0.472 23 E N -0.111 120.116 120.200 0.045 0.000 2.147 23 E HA -0.232 4.117 4.350 -0.000 0.000 0.199 23 E C 1.670 178.194 176.600 -0.127 0.000 1.005 23 E CA 1.156 57.550 56.400 -0.010 0.000 0.810 23 E CB -0.167 29.587 29.700 0.090 0.000 0.736 23 E HN 0.160 nan 8.360 nan 0.000 0.460 24 F N 1.478 121.296 119.950 -0.221 0.000 2.219 24 F HA -0.081 4.446 4.527 -0.000 0.000 0.294 24 F C 1.993 177.664 175.800 -0.215 0.000 1.086 24 F CA 1.162 58.973 58.000 -0.314 0.000 1.330 24 F CB -0.004 38.903 39.000 -0.156 0.000 1.047 24 F HN -0.136 nan 8.300 nan 0.000 0.495 25 D N 0.359 120.708 120.400 -0.084 0.000 2.182 25 D HA -0.217 4.423 4.640 -0.000 0.000 0.201 25 D C 2.011 178.218 176.300 -0.156 0.000 0.986 25 D CA 1.194 55.113 54.000 -0.134 0.000 0.847 25 D CB -0.061 40.704 40.800 -0.059 0.000 0.942 25 D HN 0.349 nan 8.370 nan 0.000 0.467 26 E N 0.031 120.136 120.200 -0.157 0.000 2.016 26 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 26 E C 2.135 178.663 176.600 -0.120 0.000 0.985 26 E CA 0.334 56.658 56.400 -0.127 0.000 0.802 26 E CB -0.692 28.935 29.700 -0.122 0.000 0.762 26 E HN 0.187 nan 8.360 nan 0.000 0.448 27 L N 0.556 121.622 121.223 -0.263 0.000 2.089 27 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 27 L C 2.145 178.850 176.870 -0.276 0.000 1.079 27 L CA 1.790 56.456 54.840 -0.291 0.000 0.758 27 L CB -1.063 40.680 42.059 -0.527 0.000 0.891 27 L HN 0.382 nan 8.230 nan 0.000 0.433 28 C N -0.710 118.333 119.300 -0.428 0.000 2.413 28 C HA -0.244 4.216 4.460 -0.000 0.000 0.278 28 C C 2.598 177.528 174.990 -0.100 0.000 1.224 28 C CA 1.023 59.854 59.018 -0.310 0.000 1.732 28 C CB -1.304 26.240 27.740 -0.327 0.000 2.050 28 C HN 0.620 nan 8.230 nan 0.000 0.463 29 F N 1.588 121.421 119.950 -0.194 0.000 2.065 29 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 29 F C 2.485 178.203 175.800 -0.138 0.000 1.112 29 F CA 2.349 60.259 58.000 -0.149 0.000 1.212 29 F CB -0.563 38.363 39.000 -0.123 0.000 0.975 29 F HN 0.328 nan 8.300 nan 0.000 0.476 30 E N -1.373 118.914 120.200 0.146 0.000 2.273 30 E HA -0.295 4.055 4.350 -0.000 0.000 0.198 30 E C 1.326 177.943 176.600 0.028 0.000 1.002 30 E CA 1.136 57.614 56.400 0.129 0.000 0.828 30 E CB -0.330 29.495 29.700 0.209 0.000 0.747 30 E HN 0.448 nan 8.360 nan 0.000 0.491 31 F N -0.867 118.887 119.950 -0.327 0.000 2.683 31 F HA 0.332 4.858 4.527 -0.000 0.000 0.306 31 F C 0.974 176.489 175.800 -0.476 0.000 1.102 31 F CA 0.669 58.308 58.000 -0.601 0.000 1.244 31 F CB 1.061 39.665 39.000 -0.660 0.000 1.029 31 F HN 0.080 nan 8.300 nan 0.000 0.545 32 G N 1.425 109.940 108.800 -0.474 0.000 2.159 32 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 32 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 32 G C 0.244 174.948 174.900 -0.326 0.000 0.977 32 G CA 0.530 45.336 45.100 -0.490 0.000 0.652 32 G HN 0.377 nan 8.290 nan 0.000 0.531 33 L N -0.672 120.425 121.223 -0.211 0.000 2.440 33 L HA 0.869 5.209 4.340 -0.000 0.000 0.262 33 L C 0.509 177.314 176.870 -0.109 0.000 1.072 33 L CA -0.895 53.873 54.840 -0.120 0.000 0.798 33 L CB 1.439 43.471 42.059 -0.046 0.000 1.307 33 L HN 0.221 nan 8.230 nan 0.000 0.475 34 E N 0.556 120.718 120.200 -0.064 0.000 2.311 34 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 34 E C -1.540 175.052 176.600 -0.014 0.000 0.905 34 E CA -0.565 55.816 56.400 -0.032 0.000 0.778 34 E CB 2.076 31.764 29.700 -0.020 0.000 1.240 34 E HN 0.484 nan 8.360 nan 0.000 0.410 35 L N 5.280 126.490 121.223 -0.022 0.000 2.399 35 L HA 0.118 4.458 4.340 -0.000 0.000 0.257 35 L C 0.831 177.716 176.870 0.025 0.000 1.236 35 L CA -0.029 54.810 54.840 -0.003 0.000 1.144 35 L CB -0.062 41.961 42.059 -0.060 0.000 1.379 35 L HN 0.755 nan 8.230 nan 0.000 0.414 36 D N 2.200 122.626 120.400 0.043 0.000 2.154 36 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 36 D C 0.511 176.845 176.300 0.057 0.000 1.003 36 D CA 2.011 56.038 54.000 0.046 0.000 0.849 36 D CB 0.424 41.253 40.800 0.049 0.000 0.942 36 D HN 0.749 nan 8.370 nan 0.000 0.446 37 E N -1.831 118.418 120.200 0.082 0.000 2.416 37 E HA 0.417 4.767 4.350 -0.000 0.000 0.280 37 E C -1.189 175.502 176.600 0.151 0.000 1.055 37 E CA -0.808 55.648 56.400 0.095 0.000 0.825 37 E CB 0.867 30.612 29.700 0.075 0.000 1.312 37 E HN 0.044 nan 8.360 nan 0.000 0.452 38 I N 2.009 122.670 120.570 0.153 0.000 2.466 38 I HA 0.386 4.556 4.170 -0.000 0.000 0.279 38 I C -0.337 175.846 176.117 0.111 0.000 1.033 38 I CA -0.228 61.192 61.300 0.200 0.000 1.123 38 I CB 1.417 39.581 38.000 0.272 0.000 1.237 38 I HN 0.882 nan 8.210 nan 0.000 0.460 39 T N 0.883 115.486 114.554 0.081 0.000 2.611 39 T HA 0.666 5.016 4.350 -0.000 0.000 0.269 39 T C -0.410 174.304 174.700 0.023 0.000 1.032 39 T CA -0.612 61.515 62.100 0.044 0.000 1.178 39 T CB 2.020 70.913 68.868 0.043 0.000 1.651 39 T HN 0.414 nan 8.240 nan 0.000 0.456 40 S N -1.566 114.145 115.700 0.018 0.000 2.683 40 S HA 0.345 4.815 4.470 -0.000 0.000 0.269 40 S C -0.014 174.593 174.600 0.012 0.000 1.165 40 S CA 0.300 58.505 58.200 0.008 0.000 0.840 40 S CB 1.132 64.328 63.200 -0.007 0.000 1.169 40 S HN 0.952 nan 8.310 nan 0.000 0.490 41 E N 0.783 120.989 120.200 0.010 0.000 2.463 41 E HA -0.085 4.265 4.350 -0.000 0.000 0.201 41 E C 1.420 178.026 176.600 0.009 0.000 1.045 41 E CA 1.418 57.825 56.400 0.011 0.000 0.872 41 E CB -0.180 29.527 29.700 0.011 0.000 0.797 41 E HN 0.501 nan 8.360 nan 0.000 0.538 42 K N -0.270 120.134 120.400 0.007 0.000 2.504 42 K HA -0.055 4.265 4.320 -0.000 0.000 0.195 42 K C 1.257 177.863 176.600 0.009 0.000 1.036 42 K CA 0.854 57.145 56.287 0.006 0.000 0.984 42 K CB 0.335 32.836 32.500 0.003 0.000 0.788 42 K HN 0.056 nan 8.250 nan 0.000 0.488 43 E N 0.603 120.811 120.200 0.013 0.000 2.399 43 E HA 0.164 4.514 4.350 -0.000 0.000 0.205 43 E C 1.849 178.459 176.600 0.016 0.000 0.906 43 E CA 0.032 56.441 56.400 0.015 0.000 0.998 43 E CB 0.209 29.921 29.700 0.020 0.000 1.002 43 E HN 0.267 nan 8.360 nan 0.000 0.501 44 I N 1.429 122.008 120.570 0.015 0.000 2.102 44 I HA -0.198 3.972 4.170 -0.000 0.000 0.228 44 I C 2.578 178.702 176.117 0.012 0.000 1.057 44 I CA 0.907 62.215 61.300 0.015 0.000 1.334 44 I CB -0.255 37.754 38.000 0.015 0.000 1.096 44 I HN -0.006 nan 8.210 nan 0.000 0.396 45 I N 0.211 120.788 120.570 0.011 0.000 2.530 45 I HA -0.239 3.931 4.170 -0.000 0.000 0.257 45 I C 1.637 177.760 176.117 0.009 0.000 1.179 45 I CA 0.953 62.259 61.300 0.010 0.000 1.440 45 I CB 0.093 38.099 38.000 0.009 0.000 1.087 45 I HN 0.126 nan 8.210 nan 0.000 0.440 46 S N 0.866 116.571 115.700 0.010 0.000 3.812 46 S HA 0.169 4.639 4.470 -0.000 0.000 0.195 46 S C 0.641 175.247 174.600 0.010 0.000 1.460 46 S CA -0.121 58.084 58.200 0.010 0.000 1.052 46 S CB -0.452 62.754 63.200 0.009 0.000 1.385 46 S HN 0.522 nan 8.310 nan 0.000 0.490 47 K N 0.503 120.909 120.400 0.010 0.000 1.992 47 K HA 0.019 4.339 4.320 -0.000 0.000 0.130 47 K C 0.905 177.511 176.600 0.010 0.000 2.094 47 K CA 0.467 56.760 56.287 0.011 0.000 1.087 47 K CB -0.084 32.423 32.500 0.013 0.000 2.189 47 K HN 0.386 nan 8.250 nan 0.000 0.437 48 E N 0.469 120.674 120.200 0.010 0.000 2.568 48 E HA 0.072 4.422 4.350 -0.000 0.000 0.220 48 E C -0.464 176.142 176.600 0.009 0.000 0.869 48 E CA 0.050 56.456 56.400 0.009 0.000 1.268 48 E CB 0.627 30.332 29.700 0.010 0.000 1.252 48 E HN 0.265 nan 8.360 nan 0.000 0.606 49 Q N 1.164 120.970 119.800 0.009 0.000 2.454 49 Q HA 0.517 4.856 4.340 -0.000 0.000 0.255 49 Q C 0.467 176.472 176.000 0.008 0.000 1.034 49 Q CA -0.166 55.642 55.803 0.009 0.000 0.736 49 Q CB 1.696 30.439 28.738 0.009 0.000 1.210 49 Q HN 0.299 nan 8.270 nan 0.000 0.500 50 G N 3.165 111.970 108.800 0.008 0.000 2.723 50 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.356 50 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.356 50 G C 0.401 175.305 174.900 0.007 0.000 1.164 50 G CA 0.789 45.893 45.100 0.007 0.000 0.939 50 G HN 0.630 nan 8.290 nan 0.000 0.570 51 N N -1.057 117.647 118.700 0.007 0.000 3.664 51 N HA 0.120 4.860 4.740 -0.000 0.000 0.139 51 N C -0.522 174.992 175.510 0.007 0.000 1.286 51 N CA 0.206 53.260 53.050 0.007 0.000 1.541 51 N CB 0.562 39.053 38.487 0.006 0.000 1.689 51 N HN 0.439 nan 8.380 nan 0.000 0.695 52 V N 1.933 121.851 119.914 0.007 0.000 2.302 52 V HA 0.062 4.182 4.120 -0.000 0.000 0.244 52 V C 1.331 177.429 176.094 0.006 0.000 1.160 52 V CA 0.100 62.404 62.300 0.007 0.000 1.127 52 V CB 0.010 31.837 31.823 0.008 0.000 1.253 52 V HN 0.247 nan 8.190 nan 0.000 0.496 53 K N 3.671 124.074 120.400 0.006 0.000 3.000 53 K HA 0.305 4.625 4.320 -0.000 0.000 0.265 53 K C 0.636 177.239 176.600 0.004 0.000 1.260 53 K CA -0.174 56.115 56.287 0.005 0.000 1.209 53 K CB -0.305 32.197 32.500 0.004 0.000 1.484 53 K HN 0.748 nan 8.250 nan 0.000 0.283 54 A N 1.704 124.527 122.820 0.005 0.000 2.527 54 A HA 0.502 4.822 4.320 -0.000 0.000 0.313 54 A C -0.339 177.248 177.584 0.004 0.000 1.410 54 A CA -0.456 51.584 52.037 0.005 0.000 1.060 54 A CB 0.407 19.411 19.000 0.007 0.000 1.137 54 A HN 0.503 nan 8.150 nan 0.000 0.542 55 A N 2.159 124.980 122.820 0.002 0.000 2.409 55 A HA 0.649 4.969 4.320 -0.000 0.000 0.300 55 A C 0.697 178.279 177.584 -0.002 0.000 1.273 55 A CA 0.135 52.172 52.037 -0.001 0.000 0.774 55 A CB 0.511 19.510 19.000 -0.003 0.000 1.144 55 A HN 1.368 nan 8.150 nan 0.000 0.472 56 G N 0.238 109.037 108.800 -0.002 0.000 2.799 56 G HA2 0.464 4.424 3.960 -0.000 0.000 0.201 56 G HA3 0.464 4.424 3.960 -0.000 0.000 0.201 56 G C 0.519 175.417 174.900 -0.004 0.000 1.142 56 G CA 0.703 45.802 45.100 -0.003 0.000 0.910 56 G HN 1.708 nan 8.290 nan 0.000 0.710 57 A N -0.277 122.542 122.820 -0.002 0.000 2.577 57 A HA 0.532 4.852 4.320 -0.000 0.000 0.195 57 A C 1.293 178.877 177.584 0.000 0.000 1.407 57 A CA 1.266 53.301 52.037 -0.002 0.000 1.056 57 A CB -0.516 18.487 19.000 0.005 0.000 1.165 57 A HN 0.353 nan 8.150 nan 0.000 0.472 58 S N 0.227 115.927 115.700 0.001 0.000 2.438 58 S HA 0.038 4.508 4.470 -0.000 0.000 0.220 58 S C 0.661 175.259 174.600 -0.004 0.000 1.045 58 S CA 0.951 59.153 58.200 0.003 0.000 0.940 58 S CB -0.200 63.004 63.200 0.007 0.000 0.863 58 S HN 0.469 nan 8.310 nan 0.000 0.539 59 D N 2.338 122.734 120.400 -0.006 0.000 2.346 59 D HA 0.300 4.940 4.640 -0.000 0.000 0.267 59 D C 0.163 176.450 176.300 -0.022 0.000 1.320 59 D CA 0.101 54.095 54.000 -0.010 0.000 0.951 59 D CB 0.437 41.232 40.800 -0.008 0.000 1.079 59 D HN 0.266 nan 8.370 nan 0.000 0.509 60 V N 1.000 120.896 119.914 -0.031 0.000 3.109 60 V HA 0.589 4.709 4.120 -0.000 0.000 0.311 60 V C -0.332 175.719 176.094 -0.073 0.000 1.389 60 V CA -0.963 61.304 62.300 -0.055 0.000 1.034 60 V CB 1.579 33.364 31.823 -0.063 0.000 1.105 60 V HN 0.079 nan 8.190 nan 0.000 0.477 61 V N 2.878 122.718 119.914 -0.123 0.000 2.276 61 V HA 0.514 4.634 4.120 -0.000 0.000 0.268 61 V C -0.311 175.623 176.094 -0.266 0.000 1.032 61 V CA -0.145 62.053 62.300 -0.171 0.000 0.810 61 V CB 0.234 31.931 31.823 -0.209 0.000 1.060 61 V HN 0.769 nan 8.190 nan 0.000 0.446 62 L N 0.175 121.292 121.223 -0.176 0.000 2.342 62 L HA 0.810 5.150 4.340 -0.000 0.000 0.271 62 L C -1.029 175.811 176.870 -0.050 0.000 1.008 62 L CA -0.976 53.757 54.840 -0.179 0.000 0.818 62 L CB 1.657 43.676 42.059 -0.066 0.000 1.296 62 L HN 0.207 nan 8.230 nan 0.000 0.427 63 Y N 0.947 121.246 120.300 -0.003 0.000 2.304 63 Y HA 0.403 4.953 4.550 -0.000 0.000 0.328 63 Y C 0.152 176.104 175.900 0.086 0.000 1.123 63 Y CA -0.860 57.277 58.100 0.062 0.000 1.218 63 Y CB 1.331 39.855 38.460 0.106 0.000 1.207 63 Y HN 0.534 nan 8.280 nan 0.000 0.495 64 K N 4.145 124.710 120.400 0.275 0.000 2.296 64 K HA 0.440 4.760 4.320 -0.000 0.000 0.257 64 K C -1.129 175.566 176.600 0.159 0.000 1.088 64 K CA 0.086 56.476 56.287 0.172 0.000 0.980 64 K CB -0.427 32.147 32.500 0.124 0.000 1.430 64 K HN 0.571 nan 8.250 nan 0.000 0.441 65 I N 2.224 122.898 120.570 0.174 0.000 2.365 65 I HA 0.164 4.333 4.170 -0.000 0.000 0.291 65 I C 0.026 176.196 176.117 0.089 0.000 1.004 65 I CA -0.654 60.733 61.300 0.145 0.000 1.311 65 I CB 1.368 39.488 38.000 0.199 0.000 1.401 65 I HN 0.508 nan 8.210 nan 0.000 0.491 66 D N 4.859 125.290 120.400 0.051 0.000 2.177 66 D HA 0.526 5.166 4.640 -0.000 0.000 0.247 66 D C -1.019 175.284 176.300 0.004 0.000 1.063 66 D CA -0.025 53.990 54.000 0.024 0.000 0.867 66 D CB 1.554 42.357 40.800 0.006 0.000 1.168 66 D HN 0.081 nan 8.370 nan 0.000 0.445 67 V N 4.592 124.505 119.914 -0.001 0.000 2.876 67 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 67 V C -2.189 173.873 176.094 -0.055 0.000 1.085 67 V CA -1.700 60.586 62.300 -0.023 0.000 0.945 67 V CB 2.139 33.968 31.823 0.010 0.000 1.017 67 V HN 0.570 nan 8.190 nan 0.000 0.428 68 P HA 0.070 nan 4.420 nan 0.000 0.267 68 P C 0.332 177.558 177.300 -0.124 0.000 1.209 68 P CA 0.079 63.103 63.100 -0.126 0.000 0.763 68 P CB 1.034 32.624 31.700 -0.183 0.000 0.816 69 A N 3.430 126.195 122.820 -0.092 0.000 2.277 69 A HA -0.179 4.140 4.320 -0.000 0.000 0.208 69 A C 1.834 179.321 177.584 -0.162 0.000 1.202 69 A CA 1.095 53.092 52.037 -0.067 0.000 0.762 69 A CB -1.211 17.776 19.000 -0.022 0.000 0.770 69 A HN 0.515 nan 8.150 nan 0.000 0.487 70 N N -0.329 118.217 118.700 -0.257 0.000 2.414 70 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 70 N C 0.233 175.344 175.510 -0.665 0.000 1.039 70 N CA 0.476 53.294 53.050 -0.386 0.000 0.889 70 N CB 0.030 38.363 38.487 -0.257 0.000 1.085 70 N HN 0.227 nan 8.380 nan 0.000 0.442 71 R N 0.703 120.936 120.500 -0.444 0.000 2.288 71 R HA 0.119 4.459 4.340 -0.000 0.000 0.330 71 R C 0.199 176.299 176.300 -0.334 0.000 1.069 71 R CA 0.204 56.073 56.100 -0.385 0.000 0.941 71 R CB -0.400 29.772 30.300 -0.214 0.000 0.998 71 R HN 0.455 nan 8.270 nan 0.000 0.452 72 Y N 0.289 120.543 120.300 -0.077 0.000 2.448 72 Y HA -0.060 4.490 4.550 -0.000 0.000 0.289 72 Y C 1.382 177.236 175.900 -0.077 0.000 1.114 72 Y CA 0.148 58.203 58.100 -0.075 0.000 1.235 72 Y CB 0.321 38.726 38.460 -0.091 0.000 1.045 72 Y HN 0.567 nan 8.280 nan 0.000 0.554 73 D N 0.747 121.163 120.400 0.027 0.000 2.348 73 D HA -0.057 4.582 4.640 -0.000 0.000 0.248 73 D C 0.387 176.699 176.300 0.019 0.000 1.142 73 D CA 0.708 54.693 54.000 -0.025 0.000 0.904 73 D CB -0.255 40.466 40.800 -0.131 0.000 0.901 73 D HN 0.417 nan 8.370 nan 0.000 0.523 74 L N 0.248 121.495 121.223 0.040 0.000 3.291 74 L HA 0.262 4.602 4.340 -0.000 0.000 0.307 74 L C 1.015 177.924 176.870 0.064 0.000 1.303 74 L CA -0.109 54.769 54.840 0.065 0.000 0.949 74 L CB 0.502 42.606 42.059 0.076 0.000 1.375 74 L HN -0.087 nan 8.230 nan 0.000 0.596 75 L N 0.145 121.404 121.223 0.061 0.000 2.728 75 L HA 0.226 4.566 4.340 -0.000 0.000 0.238 75 L C 0.431 177.343 176.870 0.070 0.000 1.143 75 L CA -0.100 54.779 54.840 0.065 0.000 0.937 75 L CB 0.419 42.515 42.059 0.061 0.000 1.225 75 L HN 0.505 nan 8.230 nan 0.000 0.507 76 C N -4.113 115.229 119.300 0.070 0.000 3.241 76 C HA 0.330 4.790 4.460 -0.000 0.000 0.312 76 C C 1.374 176.409 174.990 0.074 0.000 1.350 76 C CA -1.158 57.911 59.018 0.084 0.000 1.415 76 C CB 1.190 28.983 27.740 0.090 0.000 1.770 76 C HN 0.277 nan 8.230 nan 0.000 0.466 77 L N 0.870 122.147 121.223 0.091 0.000 2.046 77 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 77 L C 2.481 179.384 176.870 0.054 0.000 1.077 77 L CA 2.096 56.994 54.840 0.097 0.000 0.747 77 L CB -0.306 41.822 42.059 0.114 0.000 0.896 77 L HN 0.932 nan 8.230 nan 0.000 0.432 78 E N 0.261 120.443 120.200 -0.029 0.000 2.130 78 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 78 E C 1.994 178.566 176.600 -0.047 0.000 0.998 78 E CA 1.405 57.733 56.400 -0.119 0.000 0.806 78 E CB -0.705 28.726 29.700 -0.447 0.000 0.738 78 E HN 0.658 nan 8.360 nan 0.000 0.459 79 G N -0.082 108.702 108.800 -0.027 0.000 2.394 79 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 79 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 79 G C 1.395 176.348 174.900 0.088 0.000 1.176 79 G CA 0.374 45.495 45.100 0.037 0.000 0.786 79 G HN 0.116 nan 8.290 nan 0.000 0.533 80 L N 0.635 121.912 121.223 0.090 0.000 2.042 80 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 80 L C 3.088 180.006 176.870 0.079 0.000 1.076 80 L CA 0.952 55.853 54.840 0.102 0.000 0.749 80 L CB -0.665 41.480 42.059 0.145 0.000 0.893 80 L HN 0.093 nan 8.230 nan 0.000 0.432 81 V N -0.945 119.029 119.914 0.100 0.000 2.358 81 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 81 V C 2.700 178.833 176.094 0.065 0.000 1.047 81 V CA 1.768 64.127 62.300 0.099 0.000 1.035 81 V CB -0.541 31.346 31.823 0.108 0.000 0.658 81 V HN 0.394 nan 8.190 nan 0.000 0.452 82 R N 0.352 120.901 120.500 0.081 0.000 2.066 82 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 82 R C 2.330 178.659 176.300 0.048 0.000 1.131 82 R CA 1.689 57.846 56.100 0.094 0.000 0.955 82 R CB -0.921 29.489 30.300 0.184 0.000 0.851 82 R HN 0.500 nan 8.270 nan 0.000 0.432 83 G N 0.695 109.559 108.800 0.107 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 1.387 176.141 174.900 -0.243 0.000 1.200 83 G CA 0.968 46.106 45.100 0.064 0.000 0.782 83 G HN 0.260 nan 8.290 nan 0.000 0.554 84 L N -0.162 120.847 121.223 -0.357 0.000 2.079 84 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 84 L C 3.002 179.802 176.870 -0.116 0.000 1.081 84 L CA 1.274 55.882 54.840 -0.387 0.000 0.752 84 L CB -0.436 41.480 42.059 -0.239 0.000 0.896 84 L HN 0.233 nan 8.230 nan 0.000 0.433 85 Q N -0.032 119.729 119.800 -0.065 0.000 2.050 85 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 85 Q C 2.177 178.137 176.000 -0.067 0.000 0.980 85 Q CA 1.736 57.520 55.803 -0.032 0.000 0.840 85 Q CB -0.214 28.518 28.738 -0.010 0.000 0.898 85 Q HN 0.331 nan 8.270 nan 0.000 0.424 86 V N 0.126 119.965 119.914 -0.124 0.000 2.548 86 V HA -0.155 3.964 4.120 -0.000 0.000 0.249 86 V C 1.886 177.939 176.094 -0.068 0.000 1.055 86 V CA 1.412 63.617 62.300 -0.159 0.000 1.065 86 V CB -0.721 30.884 31.823 -0.363 0.000 0.681 86 V HN 0.356 nan 8.190 nan 0.000 0.462 87 F N 1.725 121.559 119.950 -0.194 0.000 2.202 87 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 87 F C 1.866 177.617 175.800 -0.082 0.000 1.082 87 F CA 1.391 59.323 58.000 -0.113 0.000 1.313 87 F CB 0.035 38.895 39.000 -0.233 0.000 1.024 87 F HN 0.042 nan 8.300 nan 0.000 0.495 88 K N 1.477 121.775 120.400 -0.170 0.000 2.493 88 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 88 K C 0.104 176.621 176.600 -0.139 0.000 1.033 88 K CA 0.553 56.709 56.287 -0.218 0.000 1.161 88 K CB -0.974 31.465 32.500 -0.101 0.000 0.873 88 K HN 0.537 nan 8.250 nan 0.000 0.491 89 E N 0.272 120.396 120.200 -0.128 0.000 2.325 89 E HA -0.297 4.052 4.350 -0.000 0.000 0.232 89 E C 0.115 176.676 176.600 -0.065 0.000 1.276 89 E CA 0.679 57.024 56.400 -0.092 0.000 0.717 89 E CB -1.661 27.985 29.700 -0.090 0.000 1.192 89 E HN 0.331 nan 8.360 nan 0.000 0.380 90 R N 0.249 120.717 120.500 -0.053 0.000 2.317 90 R HA 0.413 4.753 4.340 -0.000 0.000 0.208 90 R C 1.028 177.312 176.300 -0.027 0.000 0.914 90 R CA 0.651 56.733 56.100 -0.030 0.000 1.060 90 R CB 0.516 30.810 30.300 -0.010 0.000 1.015 90 R HN 0.422 nan 8.270 nan 0.000 0.498 91 I N -0.086 120.459 120.570 -0.042 0.000 2.842 91 I HA 0.186 4.355 4.170 -0.000 0.000 0.297 91 I C -1.583 174.495 176.117 -0.066 0.000 1.380 91 I CA -1.008 60.267 61.300 -0.040 0.000 1.018 91 I CB 2.152 40.135 38.000 -0.029 0.000 1.311 91 I HN -0.165 nan 8.210 nan 0.000 0.439 92 K N 4.848 125.212 120.400 -0.059 0.000 2.218 92 K HA 0.628 4.948 4.320 -0.000 0.000 0.276 92 K C -0.270 176.261 176.600 -0.115 0.000 1.022 92 K CA -0.262 55.979 56.287 -0.077 0.000 0.946 92 K CB 1.375 33.841 32.500 -0.056 0.000 1.000 92 K HN 0.660 nan 8.250 nan 0.000 0.468 93 A N 5.560 128.293 122.820 -0.146 0.000 2.454 93 A HA 0.247 4.567 4.320 -0.000 0.000 0.260 93 A C -2.038 175.423 177.584 -0.204 0.000 1.106 93 A CA -1.159 50.763 52.037 -0.192 0.000 0.780 93 A CB -0.350 18.538 19.000 -0.187 0.000 1.044 93 A HN 0.652 nan 8.150 nan 0.000 0.498 94 P HA 0.304 nan 4.420 nan 0.000 0.274 94 P C -0.709 176.104 177.300 -0.812 0.000 1.231 94 P CA -0.130 62.562 63.100 -0.679 0.000 0.790 94 P CB 0.952 31.836 31.700 -1.360 0.000 0.951 95 V N 2.962 122.480 119.914 -0.661 0.000 2.483 95 V HA 0.248 4.368 4.120 -0.000 0.000 0.295 95 V C -0.394 175.372 176.094 -0.547 0.000 1.035 95 V CA -0.532 61.476 62.300 -0.487 0.000 0.896 95 V CB 0.595 32.290 31.823 -0.213 0.000 0.986 95 V HN 0.381 nan 8.190 nan 0.000 0.447 96 Y N 3.116 123.487 120.300 0.117 0.000 2.385 96 Y HA 0.588 5.138 4.550 -0.000 0.000 0.341 96 Y C 0.348 176.320 175.900 0.120 0.000 0.965 96 Y CA -0.709 57.482 58.100 0.152 0.000 1.180 96 Y CB 0.868 39.438 38.460 0.183 0.000 1.139 96 Y HN 0.497 nan 8.280 nan 0.000 0.502 97 K N 3.286 123.799 120.400 0.189 0.000 2.259 97 K HA 0.631 4.951 4.320 -0.000 0.000 0.252 97 K C -0.647 176.034 176.600 0.135 0.000 0.936 97 K CA -1.284 55.067 56.287 0.107 0.000 0.810 97 K CB 1.991 34.517 32.500 0.042 0.000 1.143 97 K HN 0.593 nan 8.250 nan 0.000 0.427 98 R N 0.042 120.608 120.500 0.110 0.000 2.346 98 R HA 0.448 4.788 4.340 -0.000 0.000 0.311 98 R C -0.391 175.959 176.300 0.083 0.000 0.983 98 R CA -0.763 55.402 56.100 0.109 0.000 0.880 98 R CB 0.789 31.153 30.300 0.106 0.000 1.100 98 R HN 0.389 nan 8.270 nan 0.000 0.453 99 V N 0.071 120.036 119.914 0.086 0.000 2.994 99 V HA 0.611 4.731 4.120 -0.000 0.000 0.318 99 V C -0.027 176.111 176.094 0.074 0.000 1.085 99 V CA -1.337 61.006 62.300 0.072 0.000 0.998 99 V CB 1.868 33.733 31.823 0.069 0.000 1.063 99 V HN 0.675 nan 8.190 nan 0.000 0.447 100 M N 3.574 123.213 119.600 0.065 0.000 2.216 100 M HA 0.529 5.009 4.480 -0.000 0.000 0.356 100 M C -2.083 174.258 176.300 0.068 0.000 1.205 100 M CA -2.102 53.238 55.300 0.067 0.000 1.122 100 M CB 0.588 33.222 32.600 0.057 0.000 1.571 100 M HN 0.693 nan 8.290 nan 0.000 0.464 101 P HA 0.266 nan 4.420 nan 0.000 0.297 101 P C -0.987 176.350 177.300 0.063 0.000 1.307 101 P CA -0.390 62.754 63.100 0.073 0.000 0.773 101 P CB 0.865 32.618 31.700 0.088 0.000 1.265 102 D N -0.412 120.023 120.400 0.059 0.000 2.522 102 D HA 0.281 4.921 4.640 -0.000 0.000 0.218 102 D C 1.396 177.725 176.300 0.049 0.000 1.149 102 D CA 0.363 54.393 54.000 0.049 0.000 0.981 102 D CB -0.205 40.622 40.800 0.044 0.000 1.041 102 D HN 0.703 nan 8.370 nan 0.000 0.518 103 G N 3.089 111.919 108.800 0.051 0.000 2.779 103 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.230 103 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.230 103 G C 0.791 175.726 174.900 0.058 0.000 1.243 103 G CA -0.088 45.041 45.100 0.049 0.000 0.769 103 G HN 0.476 nan 8.290 nan 0.000 0.516 104 K N 1.800 122.238 120.400 0.064 0.000 2.972 104 K HA 0.192 4.512 4.320 -0.000 0.000 0.257 104 K C 0.631 177.292 176.600 0.102 0.000 1.118 104 K CA -0.197 56.136 56.287 0.078 0.000 1.142 104 K CB -0.262 32.287 32.500 0.080 0.000 1.252 104 K HN 0.363 nan 8.250 nan 0.000 0.266 105 I N 2.831 123.459 120.570 0.097 0.000 2.566 105 I HA -0.065 4.105 4.170 -0.000 0.000 0.286 105 I C 0.542 176.748 176.117 0.148 0.000 1.060 105 I CA 0.312 61.681 61.300 0.116 0.000 2.222 105 I CB -1.495 36.564 38.000 0.099 0.000 1.534 105 I HN 0.332 nan 8.210 nan 0.000 0.987 106 Q N 4.467 124.376 119.800 0.182 0.000 2.492 106 Q HA -0.102 4.238 4.340 -0.000 0.000 0.366 106 Q C 0.460 176.617 176.000 0.262 0.000 1.172 106 Q CA 1.051 57.004 55.803 0.251 0.000 1.089 106 Q CB 0.437 29.361 28.738 0.309 0.000 1.174 106 Q HN 0.653 nan 8.270 nan 0.000 0.421 107 K N 0.819 121.397 120.400 0.297 0.000 2.498 107 K HA 0.619 4.939 4.320 -0.000 0.000 0.254 107 K C -1.297 175.498 176.600 0.325 0.000 0.933 107 K CA -0.975 55.471 56.287 0.265 0.000 0.806 107 K CB 1.661 34.271 32.500 0.183 0.000 1.301 107 K HN 0.405 nan 8.250 nan 0.000 0.432 108 L N 4.306 125.685 121.223 0.261 0.000 2.356 108 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 108 L C -1.437 175.524 176.870 0.152 0.000 0.996 108 L CA -0.798 54.190 54.840 0.247 0.000 0.822 108 L CB 1.502 43.692 42.059 0.218 0.000 1.256 108 L HN 0.735 nan 8.230 nan 0.000 0.413 109 I N 5.922 126.586 120.570 0.156 0.000 2.359 109 I HA 0.417 4.587 4.170 -0.000 0.000 0.294 109 I C 0.415 176.599 176.117 0.111 0.000 0.987 109 I CA -0.614 60.752 61.300 0.109 0.000 1.225 109 I CB 1.573 39.636 38.000 0.104 0.000 1.366 109 I HN 0.509 nan 8.210 nan 0.000 0.466 110 I N 5.243 125.847 120.570 0.056 0.000 2.428 110 I HA 0.354 4.524 4.170 -0.000 0.000 0.296 110 I C 0.897 177.045 176.117 0.052 0.000 0.985 110 I CA -0.292 61.051 61.300 0.072 0.000 1.260 110 I CB 1.887 39.865 38.000 -0.038 0.000 1.389 110 I HN 0.692 nan 8.210 nan 0.000 0.484 111 T N 0.264 114.823 114.554 0.009 0.000 2.870 111 T HA 0.338 4.688 4.350 -0.000 0.000 0.277 111 T C 0.756 175.454 174.700 -0.002 0.000 1.000 111 T CA -0.651 61.453 62.100 0.007 0.000 0.982 111 T CB 1.810 70.669 68.868 -0.015 0.000 1.249 111 T HN 0.450 nan 8.240 nan 0.000 0.589 112 E N 0.423 120.626 120.200 0.005 0.000 2.072 112 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 112 E C 1.874 178.458 176.600 -0.026 0.000 0.982 112 E CA 1.024 57.428 56.400 0.006 0.000 0.803 112 E CB -0.314 29.395 29.700 0.016 0.000 0.755 112 E HN 0.695 nan 8.360 nan 0.000 0.453 113 E N 0.114 120.287 120.200 -0.045 0.000 2.455 113 E HA -0.101 4.249 4.350 -0.000 0.000 0.202 113 E C 1.693 178.226 176.600 -0.112 0.000 1.045 113 E CA 0.846 57.208 56.400 -0.063 0.000 0.872 113 E CB -0.294 29.369 29.700 -0.062 0.000 0.792 113 E HN 0.160 nan 8.360 nan 0.000 0.542 114 T N 0.472 114.939 114.554 -0.145 0.000 2.671 114 T HA -0.001 4.349 4.350 -0.000 0.000 0.250 114 T C 1.122 175.754 174.700 -0.114 0.000 1.068 114 T CA 0.859 62.833 62.100 -0.211 0.000 1.177 114 T CB -0.390 68.347 68.868 -0.219 0.000 0.876 114 T HN 0.262 nan 8.240 nan 0.000 0.405 115 A N 1.813 124.594 122.820 -0.065 0.000 2.888 115 A HA 0.177 4.497 4.320 -0.000 0.000 0.290 115 A C 0.883 178.430 177.584 -0.061 0.000 1.736 115 A CA 0.818 52.815 52.037 -0.067 0.000 1.244 115 A CB -0.879 18.109 19.000 -0.020 0.000 0.973 115 A HN 0.637 nan 8.150 nan 0.000 0.595 116 K N 0.154 120.510 120.400 -0.073 0.000 1.496 116 K HA -0.015 4.305 4.320 -0.000 0.000 0.103 116 K C -0.140 176.433 176.600 -0.046 0.000 2.186 116 K CA 0.510 56.767 56.287 -0.049 0.000 0.945 116 K CB -0.357 32.124 32.500 -0.031 0.000 2.369 116 K HN 0.536 nan 8.250 nan 0.000 0.325 117 I N -0.547 119.989 120.570 -0.058 0.000 4.738 117 I HA 0.184 4.354 4.170 -0.000 0.000 0.315 117 I C 0.057 176.155 176.117 -0.032 0.000 1.214 117 I CA -0.157 61.113 61.300 -0.050 0.000 1.337 117 I CB 0.660 38.622 38.000 -0.063 0.000 1.433 117 I HN -0.125 nan 8.210 nan 0.000 0.472 118 R N 0.277 120.763 120.500 -0.023 0.000 2.672 118 R HA 0.275 4.615 4.340 -0.000 0.000 0.228 118 R C -2.313 173.999 176.300 0.021 0.000 1.501 118 R CA -1.089 55.040 56.100 0.048 0.000 1.514 118 R CB 0.427 30.837 30.300 0.184 0.000 1.489 118 R HN -0.036 nan 8.270 nan 0.000 0.747 119 P HA -0.258 nan 4.420 nan 0.000 0.224 119 P C 0.095 177.271 177.300 -0.206 0.000 1.130 119 P CA 1.968 64.831 63.100 -0.396 0.000 0.976 119 P CB 0.051 31.181 31.700 -0.949 0.000 0.781 120 F N -3.644 116.451 119.950 0.242 0.000 2.631 120 F HA 0.848 5.375 4.527 -0.000 0.000 0.328 120 F C -0.303 175.477 175.800 -0.033 0.000 1.067 120 F CA -2.517 55.606 58.000 0.205 0.000 0.969 120 F CB 0.556 39.840 39.000 0.474 0.000 1.332 120 F HN -0.054 nan 8.300 nan 0.000 0.490 121 A N 0.294 123.102 122.820 -0.019 0.000 2.610 121 A HA 0.847 5.166 4.320 -0.000 0.000 0.291 121 A C -1.954 175.320 177.584 -0.517 0.000 1.086 121 A CA -0.678 51.147 52.037 -0.354 0.000 0.677 121 A CB 1.751 20.326 19.000 -0.708 0.000 1.278 121 A HN 1.620 nan 8.150 nan 0.000 0.414 122 V N -0.659 118.897 119.914 -0.596 0.000 3.120 122 V HA 0.945 5.065 4.120 -0.000 0.000 0.303 122 V C -0.535 175.205 176.094 -0.590 0.000 1.238 122 V CA 0.393 62.216 62.300 -0.794 0.000 1.008 122 V CB 1.850 32.971 31.823 -1.171 0.000 1.064 122 V HN 2.572 nan 8.190 nan 0.000 0.434 123 A N 3.388 125.901 122.820 -0.512 0.000 2.533 123 A HA 1.144 5.464 4.320 -0.000 0.000 0.293 123 A C -0.507 176.913 177.584 -0.273 0.000 1.228 123 A CA -0.188 51.572 52.037 -0.461 0.000 0.689 123 A CB 1.542 20.172 19.000 -0.616 0.000 1.303 123 A HN 2.687 nan 8.150 nan 0.000 0.444 124 A N -1.565 121.042 122.820 -0.355 0.000 2.522 124 A HA 0.673 4.993 4.320 -0.000 0.000 0.294 124 A C -1.046 176.448 177.584 -0.151 0.000 1.001 124 A CA 0.153 52.117 52.037 -0.122 0.000 0.642 124 A CB -0.065 18.929 19.000 -0.010 0.000 1.326 124 A HN 2.358 nan 8.150 nan 0.000 0.435 125 V N -1.213 118.715 119.914 0.023 0.000 3.001 125 V HA 0.927 5.047 4.120 -0.000 0.000 0.314 125 V C -0.516 175.637 176.094 0.099 0.000 1.099 125 V CA -0.800 61.547 62.300 0.077 0.000 0.989 125 V CB 1.652 33.588 31.823 0.189 0.000 1.040 125 V HN 1.628 nan 8.190 nan 0.000 0.434 126 L N 0.218 121.507 121.223 0.110 0.000 2.372 126 L HA 0.719 5.059 4.340 -0.000 0.000 0.273 126 L C -0.122 176.818 176.870 0.117 0.000 0.989 126 L CA -0.781 54.131 54.840 0.120 0.000 0.841 126 L CB 1.744 43.887 42.059 0.141 0.000 1.225 126 L HN 0.582 nan 8.230 nan 0.000 0.414 127 R N 3.284 123.849 120.500 0.108 0.000 2.442 127 R HA 0.148 4.488 4.340 -0.000 0.000 0.291 127 R C -0.155 176.200 176.300 0.091 0.000 1.069 127 R CA -0.011 56.147 56.100 0.097 0.000 1.022 127 R CB 0.449 30.802 30.300 0.088 0.000 0.976 127 R HN 0.832 nan 8.270 nan 0.000 0.443 128 N N 2.167 120.920 118.700 0.087 0.000 2.614 128 N HA -0.230 4.510 4.740 -0.000 0.000 0.276 128 N C -0.476 175.094 175.510 0.099 0.000 1.119 128 N CA 0.792 53.892 53.050 0.082 0.000 0.742 128 N CB -0.962 37.563 38.487 0.064 0.000 0.900 128 N HN 0.515 nan 8.380 nan 0.000 0.549 129 I N 0.791 121.444 120.570 0.139 0.000 2.395 129 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 129 I C 1.041 177.257 176.117 0.165 0.000 1.023 129 I CA -0.406 60.993 61.300 0.164 0.000 1.350 129 I CB 0.887 39.033 38.000 0.243 0.000 1.409 129 I HN -0.159 nan 8.210 nan 0.000 0.507 130 K N 6.887 127.328 120.400 0.068 0.000 2.150 130 K HA 0.297 4.616 4.320 -0.000 0.000 0.261 130 K C -0.385 176.176 176.600 -0.065 0.000 1.127 130 K CA -0.175 56.125 56.287 0.021 0.000 0.989 130 K CB -0.038 32.447 32.500 -0.025 0.000 1.475 130 K HN 0.308 nan 8.250 nan 0.000 0.391 131 F N 0.278 120.183 119.950 -0.074 0.000 2.408 131 F HA 0.124 4.651 4.527 -0.000 0.000 0.303 131 F C 1.398 177.144 175.800 -0.090 0.000 1.268 131 F CA 0.692 58.646 58.000 -0.077 0.000 1.218 131 F CB 0.767 39.749 39.000 -0.030 0.000 1.283 131 F HN 0.181 nan 8.300 nan 0.000 0.545 132 T N -0.299 114.367 114.554 0.187 0.000 2.802 132 T HA 0.214 4.564 4.350 -0.000 0.000 0.311 132 T C 0.299 175.103 174.700 0.173 0.000 1.405 132 T CA -0.903 61.250 62.100 0.089 0.000 1.016 132 T CB 1.800 70.646 68.868 -0.037 0.000 1.352 132 T HN 0.329 nan 8.240 nan 0.000 0.498 133 K N 1.089 121.550 120.400 0.102 0.000 2.032 133 K HA -0.157 4.163 4.320 -0.000 0.000 0.218 133 K C 1.479 178.195 176.600 0.193 0.000 1.054 133 K CA 2.215 58.572 56.287 0.117 0.000 0.941 133 K CB -0.265 32.273 32.500 0.062 0.000 0.720 133 K HN 0.487 nan 8.250 nan 0.000 0.449 134 D N 0.313 120.798 120.400 0.142 0.000 2.085 134 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 134 D C 2.073 178.504 176.300 0.218 0.000 0.981 134 D CA 0.919 55.011 54.000 0.152 0.000 0.834 134 D CB -0.271 40.584 40.800 0.092 0.000 0.992 134 D HN 0.165 nan 8.370 nan 0.000 0.457 135 R N -0.026 120.573 120.500 0.166 0.000 2.153 135 R HA -0.226 4.114 4.340 -0.000 0.000 0.252 135 R C 2.375 178.907 176.300 0.387 0.000 1.158 135 R CA 1.297 57.515 56.100 0.197 0.000 0.975 135 R CB -0.593 29.580 30.300 -0.212 0.000 0.871 135 R HN 0.315 nan 8.270 nan 0.000 0.450 136 Y N 2.173 122.705 120.300 0.387 0.000 2.070 136 Y HA -0.229 4.321 4.550 -0.000 0.000 0.279 136 Y C 1.981 178.104 175.900 0.372 0.000 1.134 136 Y CA 1.699 60.133 58.100 0.557 0.000 1.113 136 Y CB -0.403 38.249 38.460 0.320 0.000 0.981 136 Y HN -0.005 nan 8.280 nan 0.000 0.487 137 D N -0.645 119.909 120.400 0.256 0.000 2.158 137 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 137 D C 2.334 178.697 176.300 0.105 0.000 0.995 137 D CA 1.727 55.790 54.000 0.104 0.000 0.846 137 D CB -0.451 40.454 40.800 0.175 0.000 0.941 137 D HN 0.392 nan 8.370 nan 0.000 0.456 138 S N -0.294 115.544 115.700 0.230 0.000 2.356 138 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 138 S C 1.830 176.635 174.600 0.342 0.000 1.032 138 S CA 0.628 59.015 58.200 0.311 0.000 1.005 138 S CB -0.433 63.028 63.200 0.434 0.000 0.867 138 S HN 0.239 nan 8.310 nan 0.000 0.449 139 F N 1.713 121.708 119.950 0.074 0.000 2.171 139 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 139 F C 1.834 177.455 175.800 -0.299 0.000 1.090 139 F CA 1.284 58.976 58.000 -0.514 0.000 1.293 139 F CB -0.113 38.462 39.000 -0.709 0.000 1.013 139 F HN 0.228 nan 8.300 nan 0.000 0.486 140 I N 0.078 120.571 120.570 -0.129 0.000 2.333 140 I HA -0.171 3.999 4.170 -0.000 0.000 0.246 140 I C 2.294 178.339 176.117 -0.119 0.000 1.106 140 I CA 1.124 62.312 61.300 -0.187 0.000 1.411 140 I CB -1.312 36.529 38.000 -0.265 0.000 1.082 140 I HN 0.158 nan 8.210 nan 0.000 0.420 141 E N 1.690 121.862 120.200 -0.047 0.000 2.023 141 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 141 E C 2.314 178.905 176.600 -0.015 0.000 1.003 141 E CA 1.406 57.808 56.400 0.003 0.000 0.809 141 E CB -0.610 29.123 29.700 0.054 0.000 0.755 141 E HN 0.400 nan 8.360 nan 0.000 0.449 142 L N 0.262 121.474 121.223 -0.019 0.000 2.051 142 L HA -0.337 4.003 4.340 -0.000 0.000 0.214 142 L C 2.582 179.370 176.870 -0.136 0.000 1.076 142 L CA 2.085 56.901 54.840 -0.041 0.000 0.758 142 L CB -0.328 41.739 42.059 0.013 0.000 0.890 142 L HN 0.334 nan 8.230 nan 0.000 0.433 143 Q N -0.559 119.098 119.800 -0.238 0.000 2.030 143 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 143 Q C 2.178 178.124 176.000 -0.090 0.000 0.986 143 Q CA 2.091 57.733 55.803 -0.267 0.000 0.843 143 Q CB 0.007 28.576 28.738 -0.281 0.000 0.904 143 Q HN 0.503 nan 8.270 nan 0.000 0.420 144 E N 0.281 120.489 120.200 0.013 0.000 2.047 144 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 144 E C 1.907 178.566 176.600 0.098 0.000 0.987 144 E CA 0.957 57.425 56.400 0.115 0.000 0.799 144 E CB -0.059 29.692 29.700 0.086 0.000 0.752 144 E HN 0.115 nan 8.360 nan 0.000 0.449 145 K N 0.926 121.349 120.400 0.039 0.000 2.015 145 K HA -0.189 4.131 4.320 -0.000 0.000 0.216 145 K C 1.971 178.589 176.600 0.029 0.000 1.052 145 K CA 1.562 57.871 56.287 0.038 0.000 0.937 145 K CB -0.409 32.108 32.500 0.028 0.000 0.719 145 K HN 0.102 nan 8.250 nan 0.000 0.446 146 L N -0.946 120.258 121.223 -0.032 0.000 2.627 146 L HA 0.167 4.507 4.340 -0.000 0.000 0.233 146 L C 1.634 178.457 176.870 -0.077 0.000 1.144 146 L CA 1.054 55.849 54.840 -0.075 0.000 0.892 146 L CB -0.701 41.263 42.059 -0.159 0.000 1.039 146 L HN 0.150 nan 8.230 nan 0.000 0.442 147 H N 1.779 120.828 119.070 -0.035 0.000 2.272 147 H HA 0.097 4.653 4.556 -0.000 0.000 0.320 147 H C 0.909 176.264 175.328 0.044 0.000 1.072 147 H CA 1.733 57.775 56.048 -0.010 0.000 1.458 147 H CB -0.166 29.594 29.762 -0.003 0.000 1.456 147 H HN 0.531 nan 8.280 nan 0.000 0.551 148 Q N 1.363 121.316 119.800 0.255 0.000 2.336 148 Q HA 0.104 4.444 4.340 -0.000 0.000 0.231 148 Q C 0.200 176.250 176.000 0.083 0.000 0.900 148 Q CA 0.276 56.175 55.803 0.159 0.000 0.966 148 Q CB -0.329 28.507 28.738 0.164 0.000 1.219 148 Q HN 0.433 nan 8.270 nan 0.000 0.412 149 N N -0.877 117.866 118.700 0.072 0.000 3.085 149 N HA 0.062 4.802 4.740 -0.000 0.000 0.270 149 N C 0.733 176.263 175.510 0.034 0.000 1.319 149 N CA 0.283 53.361 53.050 0.047 0.000 1.379 149 N CB -0.144 38.375 38.487 0.054 0.000 0.903 149 N HN 0.227 nan 8.380 nan 0.000 1.080 150 I N 1.333 121.907 120.570 0.006 0.000 2.756 150 I HA 0.065 4.235 4.170 -0.000 0.000 0.262 150 I C 0.980 177.056 176.117 -0.069 0.000 1.225 150 I CA 1.293 62.563 61.300 -0.051 0.000 1.472 150 I CB -0.108 37.739 38.000 -0.254 0.000 1.094 150 I HN 0.351 nan 8.210 nan 0.000 0.454 151 C N 1.126 120.408 119.300 -0.030 0.000 2.799 151 C HA 0.375 4.835 4.460 -0.000 0.000 0.267 151 C C 1.029 176.044 174.990 0.042 0.000 1.257 151 C CA -0.344 58.676 59.018 0.003 0.000 1.702 151 C CB -1.651 26.122 27.740 0.054 0.000 1.934 151 C HN 0.538 nan 8.230 nan 0.000 0.594 152 R N 0.658 121.180 120.500 0.036 0.000 3.084 152 R HA -0.173 4.167 4.340 -0.000 0.000 0.258 152 R C -0.185 176.135 176.300 0.033 0.000 0.914 152 R CA 0.139 56.254 56.100 0.025 0.000 0.646 152 R CB -1.388 28.922 30.300 0.016 0.000 1.330 152 R HN 0.448 nan 8.270 nan 0.000 0.465 153 K N 0.634 121.068 120.400 0.056 0.000 3.278 153 K HA -0.294 4.026 4.320 -0.000 0.000 0.270 153 K C 0.518 177.235 176.600 0.195 0.000 0.955 153 K CA 1.532 57.866 56.287 0.079 0.000 0.723 153 K CB -0.918 31.458 32.500 -0.208 0.000 1.382 153 K HN 0.737 nan 8.250 nan 0.000 0.461 154 R N -3.806 116.831 120.500 0.228 0.000 3.995 154 R HA -0.387 3.953 4.340 -0.000 0.000 0.445 154 R C 1.577 177.951 176.300 0.122 0.000 0.997 154 R CA 1.354 57.571 56.100 0.195 0.000 1.513 154 R CB -2.212 28.163 30.300 0.126 0.000 2.145 154 R HN 0.523 nan 8.270 nan 0.000 0.533 155 A N 1.010 123.885 122.820 0.092 0.000 1.896 155 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 155 A C 2.002 179.622 177.584 0.060 0.000 1.206 155 A CA 2.328 54.401 52.037 0.059 0.000 0.647 155 A CB -0.303 18.717 19.000 0.034 0.000 0.828 155 A HN 0.208 nan 8.150 nan 0.000 0.455 156 L N -1.887 119.371 121.223 0.059 0.000 2.130 156 L HA 0.165 4.505 4.340 -0.000 0.000 0.200 156 L C 0.475 177.381 176.870 0.061 0.000 1.075 156 L CA 0.812 55.691 54.840 0.065 0.000 0.768 156 L CB -0.404 41.686 42.059 0.052 0.000 0.933 156 L HN 0.138 nan 8.230 nan 0.000 0.451 157 V N -0.541 119.396 119.914 0.038 0.000 2.680 157 V HA 0.823 4.943 4.120 -0.000 0.000 0.309 157 V C -0.561 175.565 176.094 0.053 0.000 1.052 157 V CA -0.790 61.512 62.300 0.003 0.000 0.908 157 V CB 1.617 33.395 31.823 -0.075 0.000 1.001 157 V HN 0.130 nan 8.190 nan 0.000 0.431 158 A N 5.648 128.489 122.820 0.034 0.000 2.359 158 A HA 0.891 5.211 4.320 -0.000 0.000 0.303 158 A C -0.771 176.821 177.584 0.013 0.000 1.066 158 A CA -0.553 51.575 52.037 0.151 0.000 0.730 158 A CB 1.139 20.187 19.000 0.080 0.000 1.211 158 A HN 0.949 nan 8.150 nan 0.000 0.439 159 I N 0.245 120.816 120.570 0.002 0.000 2.412 159 I HA 0.888 5.057 4.170 -0.000 0.000 0.296 159 I C 0.153 176.209 176.117 -0.101 0.000 0.987 159 I CA -0.794 60.398 61.300 -0.180 0.000 1.180 159 I CB 2.195 39.969 38.000 -0.377 0.000 1.340 159 I HN 0.581 nan 8.210 nan 0.000 0.455 160 G N 3.472 112.158 108.800 -0.190 0.000 2.666 160 G HA2 0.595 4.555 3.960 -0.000 0.000 0.303 160 G HA3 0.595 4.555 3.960 -0.000 0.000 0.303 160 G C -0.653 173.963 174.900 -0.473 0.000 1.412 160 G CA -0.567 44.373 45.100 -0.267 0.000 0.979 160 G HN 0.788 nan 8.290 nan 0.000 0.507 161 T N 0.003 114.296 114.554 -0.436 0.000 2.771 161 T HA 0.653 5.003 4.350 -0.000 0.000 0.281 161 T C -0.587 173.867 174.700 -0.410 0.000 0.982 161 T CA -0.854 61.066 62.100 -0.300 0.000 0.978 161 T CB 1.654 70.559 68.868 0.061 0.000 0.930 161 T HN 0.516 nan 8.240 nan 0.000 0.447 162 H N 1.317 120.451 119.070 0.108 0.000 2.679 162 H HA 0.409 4.965 4.556 -0.000 0.000 0.367 162 H C -0.903 174.474 175.328 0.082 0.000 1.162 162 H CA -0.979 55.140 56.048 0.118 0.000 1.181 162 H CB 1.998 31.880 29.762 0.199 0.000 1.693 162 H HN 0.652 nan 8.280 nan 0.000 0.538 163 D N 2.621 123.119 120.400 0.163 0.000 2.483 163 D HA -0.014 4.626 4.640 -0.000 0.000 0.220 163 D C 1.121 177.467 176.300 0.076 0.000 1.173 163 D CA -0.371 53.665 54.000 0.060 0.000 0.964 163 D CB 0.228 41.022 40.800 -0.011 0.000 1.046 163 D HN 0.323 nan 8.370 nan 0.000 0.517 164 L N 3.252 124.551 121.223 0.127 0.000 2.357 164 L HA -0.167 4.173 4.340 -0.000 0.000 0.220 164 L C 1.216 178.131 176.870 0.076 0.000 1.123 164 L CA 1.645 56.564 54.840 0.132 0.000 0.782 164 L CB -0.070 42.091 42.059 0.169 0.000 0.910 164 L HN 0.311 nan 8.230 nan 0.000 0.442 165 D N -1.372 119.052 120.400 0.041 0.000 2.363 165 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 165 D C 1.248 177.547 176.300 -0.003 0.000 0.994 165 D CA 1.234 55.247 54.000 0.021 0.000 0.890 165 D CB 0.044 40.852 40.800 0.013 0.000 0.906 165 D HN 0.519 nan 8.370 nan 0.000 0.530 166 T N -0.927 113.600 114.554 -0.044 0.000 3.268 166 T HA 0.474 4.823 4.350 -0.000 0.000 0.258 166 T C 0.060 174.663 174.700 -0.162 0.000 0.966 166 T CA -0.619 61.398 62.100 -0.138 0.000 0.952 166 T CB -0.687 67.995 68.868 -0.310 0.000 1.132 166 T HN -0.005 nan 8.240 nan 0.000 0.536 167 L N -3.223 117.993 121.223 -0.011 0.000 3.085 167 L HA 0.778 5.118 4.340 -0.000 0.000 0.242 167 L C -0.842 176.001 176.870 -0.044 0.000 0.985 167 L CA -0.902 53.948 54.840 0.017 0.000 1.052 167 L CB 0.295 42.372 42.059 0.030 0.000 1.495 167 L HN 0.297 nan 8.230 nan 0.000 0.409 168 S N -1.550 114.048 115.700 -0.169 0.000 2.661 168 S HA 0.969 5.439 4.470 -0.000 0.000 0.268 168 S C 0.063 174.414 174.600 -0.414 0.000 1.162 168 S CA -0.007 58.053 58.200 -0.232 0.000 0.817 168 S CB 0.851 63.991 63.200 -0.100 0.000 1.141 168 S HN 2.850 nan 8.310 nan 0.000 0.477 169 G N 0.749 109.356 108.800 -0.321 0.000 2.750 169 G HA2 0.036 3.996 3.960 -0.000 0.000 0.686 169 G HA3 0.036 3.996 3.960 -0.000 0.000 0.686 169 G C -3.086 171.518 174.900 -0.494 0.000 1.395 169 G CA -0.553 44.366 45.100 -0.301 0.000 0.918 169 G HN 0.763 nan 8.290 nan 0.000 0.594 170 P HA 0.145 nan 4.420 nan 0.000 0.261 170 P C 0.132 177.293 177.300 -0.231 0.000 1.158 170 P CA 0.637 63.661 63.100 -0.126 0.000 0.758 170 P CB 0.048 31.736 31.700 -0.020 0.000 0.763 171 F N 1.210 121.136 119.950 -0.040 0.000 2.378 171 F HA 0.473 5.000 4.527 -0.000 0.000 0.325 171 F C 1.194 177.028 175.800 0.056 0.000 1.097 171 F CA -0.047 57.941 58.000 -0.021 0.000 1.079 171 F CB 0.719 39.661 39.000 -0.096 0.000 1.240 171 F HN 0.055 nan 8.300 nan 0.000 0.519 172 T N 1.139 115.859 114.554 0.277 0.000 2.861 172 T HA 0.286 4.636 4.350 -0.000 0.000 0.287 172 T C -1.879 172.958 174.700 0.229 0.000 1.003 172 T CA -0.484 61.749 62.100 0.222 0.000 0.977 172 T CB 0.952 69.937 68.868 0.196 0.000 0.996 172 T HN 0.380 nan 8.240 nan 0.000 0.448 173 Y N 2.544 122.866 120.300 0.037 0.000 2.334 173 Y HA 0.671 5.221 4.550 -0.000 0.000 0.336 173 Y C 0.110 175.996 175.900 -0.024 0.000 0.960 173 Y CA -0.378 57.712 58.100 -0.016 0.000 1.164 173 Y CB 1.283 39.723 38.460 -0.033 0.000 1.155 173 Y HN 0.761 nan 8.280 nan 0.000 0.478 174 T N 3.446 117.759 114.554 -0.402 0.000 2.653 174 T HA 0.850 5.200 4.350 -0.000 0.000 0.306 174 T C -2.053 172.438 174.700 -0.349 0.000 1.426 174 T CA -0.123 61.752 62.100 -0.376 0.000 1.008 174 T CB 0.800 69.591 68.868 -0.129 0.000 1.692 174 T HN 0.929 nan 8.240 nan 0.000 0.483 175 A N 1.725 124.424 122.820 -0.203 0.000 2.381 175 A HA 0.816 5.136 4.320 -0.000 0.000 0.299 175 A C -0.913 176.649 177.584 -0.037 0.000 1.049 175 A CA -0.673 51.297 52.037 -0.112 0.000 0.715 175 A CB 1.253 20.192 19.000 -0.102 0.000 1.222 175 A HN 0.739 nan 8.150 nan 0.000 0.428 176 K N 0.786 121.182 120.400 -0.007 0.000 2.346 176 K HA 0.534 4.854 4.320 -0.000 0.000 0.238 176 K C -0.073 176.521 176.600 -0.010 0.000 1.039 176 K CA -1.046 55.242 56.287 0.002 0.000 0.861 176 K CB 2.000 34.510 32.500 0.017 0.000 1.278 176 K HN 0.745 nan 8.250 nan 0.000 0.460 177 R N 1.954 122.434 120.500 -0.033 0.000 2.698 177 R HA -0.011 4.329 4.340 -0.000 0.000 0.266 177 R C -1.553 174.629 176.300 -0.196 0.000 1.026 177 R CA -0.891 55.160 56.100 -0.081 0.000 1.102 177 R CB 0.324 30.588 30.300 -0.060 0.000 0.978 177 R HN 0.350 nan 8.270 nan 0.000 0.436 178 P HA -0.176 nan 4.420 nan 0.000 0.212 178 P C 0.211 177.335 177.300 -0.293 0.000 1.178 178 P CA 1.534 64.247 63.100 -0.644 0.000 0.915 178 P CB -0.206 31.015 31.700 -0.799 0.000 0.788 179 S N -0.383 115.204 115.700 -0.190 0.000 4.085 179 S HA 0.119 4.588 4.470 -0.000 0.000 0.189 179 S C 0.473 175.032 174.600 -0.068 0.000 1.392 179 S CA -0.257 57.883 58.200 -0.099 0.000 0.972 179 S CB -1.026 62.131 63.200 -0.071 0.000 1.482 179 S HN 0.160 nan 8.310 nan 0.000 0.446 180 D N 1.294 121.657 120.400 -0.062 0.000 2.848 180 D HA 0.140 4.780 4.640 -0.000 0.000 0.303 180 D C -0.534 175.768 176.300 0.004 0.000 1.665 180 D CA -0.071 53.913 54.000 -0.028 0.000 0.807 180 D CB 0.520 41.302 40.800 -0.030 0.000 1.288 180 D HN 0.710 nan 8.370 nan 0.000 0.441 181 I N -1.323 119.252 120.570 0.009 0.000 2.637 181 I HA 0.440 4.610 4.170 -0.000 0.000 0.285 181 I C -0.989 175.175 176.117 0.078 0.000 1.222 181 I CA -0.955 60.372 61.300 0.045 0.000 1.067 181 I CB 1.310 39.318 38.000 0.014 0.000 1.279 181 I HN -0.397 nan 8.210 nan 0.000 0.441 182 K N 5.014 125.469 120.400 0.091 0.000 2.202 182 K HA 0.683 5.003 4.320 -0.000 0.000 0.264 182 K C -1.182 175.571 176.600 0.255 0.000 1.010 182 K CA 0.028 56.397 56.287 0.135 0.000 0.940 182 K CB 1.168 33.717 32.500 0.081 0.000 0.983 182 K HN 0.632 nan 8.250 nan 0.000 0.475 183 F N 0.145 120.149 119.950 0.090 0.000 2.703 183 F HA 0.261 4.787 4.527 -0.000 0.000 0.308 183 F C -0.985 174.894 175.800 0.133 0.000 1.126 183 F CA -1.011 57.057 58.000 0.113 0.000 0.959 183 F CB 1.517 40.590 39.000 0.122 0.000 1.297 183 F HN 0.144 nan 8.300 nan 0.000 0.441 184 K N 6.049 126.586 120.400 0.228 0.000 2.606 184 K HA 0.323 4.643 4.320 -0.000 0.000 0.196 184 K C -2.771 173.628 176.600 -0.334 0.000 1.048 184 K CA -2.114 54.168 56.287 -0.007 0.000 1.017 184 K CB 1.047 33.605 32.500 0.096 0.000 1.413 184 K HN 0.238 nan 8.250 nan 0.000 0.568 185 P HA -0.081 nan 4.420 nan 0.000 0.268 185 P C 1.408 178.586 177.300 -0.203 0.000 1.208 185 P CA -0.522 62.246 63.100 -0.554 0.000 0.777 185 P CB 0.852 32.325 31.700 -0.378 0.000 0.875 186 L N 2.478 123.617 121.223 -0.141 0.000 2.156 186 L HA -0.245 4.094 4.340 -0.000 0.000 0.248 186 L C 1.260 178.120 176.870 -0.017 0.000 1.108 186 L CA 2.096 56.909 54.840 -0.045 0.000 0.842 186 L CB -2.297 39.741 42.059 -0.035 0.000 0.950 186 L HN 0.565 nan 8.230 nan 0.000 0.441 187 N N 0.058 118.753 118.700 -0.008 0.000 3.131 187 N HA 0.113 4.853 4.740 -0.000 0.000 0.312 187 N C -0.716 174.805 175.510 0.019 0.000 1.433 187 N CA -0.103 52.955 53.050 0.013 0.000 1.141 187 N CB 0.230 38.730 38.487 0.021 0.000 1.431 187 N HN 0.179 nan 8.380 nan 0.000 0.523 188 K N -0.280 120.130 120.400 0.016 0.000 2.443 188 K HA 0.177 4.497 4.320 -0.000 0.000 0.252 188 K C 0.879 177.542 176.600 0.105 0.000 0.933 188 K CA -0.625 55.684 56.287 0.037 0.000 0.792 188 K CB 1.686 34.168 32.500 -0.030 0.000 1.185 188 K HN -0.110 nan 8.250 nan 0.000 0.425 189 T N 1.494 116.127 114.554 0.132 0.000 2.555 189 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 189 T C 0.795 175.562 174.700 0.111 0.000 1.083 189 T CA 1.833 64.001 62.100 0.114 0.000 1.179 189 T CB 0.078 69.009 68.868 0.105 0.000 0.863 189 T HN 0.484 nan 8.240 nan 0.000 0.412 190 K N 0.424 120.912 120.400 0.147 0.000 2.958 190 K HA 0.368 4.688 4.320 -0.000 0.000 0.304 190 K C 0.163 176.756 176.600 -0.011 0.000 0.995 190 K CA -0.339 55.917 56.287 -0.051 0.000 1.492 190 K CB 0.110 32.389 32.500 -0.369 0.000 1.842 190 K HN 0.394 nan 8.250 nan 0.000 0.725 191 E N 0.512 120.572 120.200 -0.234 0.000 2.302 191 E HA 0.203 4.553 4.350 -0.000 0.000 0.263 191 E C -1.628 174.872 176.600 -0.165 0.000 0.897 191 E CA -0.363 56.014 56.400 -0.038 0.000 0.809 191 E CB 0.630 30.323 29.700 -0.012 0.000 1.270 191 E HN 0.292 nan 8.360 nan 0.000 0.410 192 Y N 0.892 121.203 120.300 0.018 0.000 2.654 192 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 192 Y C 0.800 176.735 175.900 0.058 0.000 1.174 192 Y CA -0.937 57.168 58.100 0.009 0.000 1.293 192 Y CB 1.039 39.468 38.460 -0.052 0.000 1.464 192 Y HN 0.285 nan 8.280 nan 0.000 0.559 193 T N -0.233 114.446 114.554 0.208 0.000 2.944 193 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 193 T C 1.004 175.765 174.700 0.102 0.000 1.010 193 T CA -0.077 62.096 62.100 0.121 0.000 1.025 193 T CB 1.556 70.452 68.868 0.046 0.000 1.079 193 T HN 0.765 nan 8.240 nan 0.000 0.516 194 A N 0.280 123.132 122.820 0.054 0.000 1.845 194 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 194 A C 2.490 180.037 177.584 -0.061 0.000 1.195 194 A CA 1.664 53.714 52.037 0.023 0.000 0.616 194 A CB -1.323 17.621 19.000 -0.094 0.000 0.832 194 A HN 0.917 nan 8.150 nan 0.000 0.443 195 C N -0.167 119.046 119.300 -0.146 0.000 2.409 195 C HA -0.093 4.367 4.460 -0.000 0.000 0.288 195 C C 2.468 177.429 174.990 -0.048 0.000 1.395 195 C CA 1.529 60.468 59.018 -0.132 0.000 1.792 195 C CB -1.413 26.253 27.740 -0.124 0.000 1.847 195 C HN 0.756 nan 8.230 nan 0.000 0.534 196 E N -0.669 119.521 120.200 -0.017 0.000 2.166 196 E HA -0.001 4.348 4.350 -0.000 0.000 0.192 196 E C 2.157 178.710 176.600 -0.079 0.000 0.967 196 E CA 0.330 56.730 56.400 -0.001 0.000 0.840 196 E CB -0.136 29.610 29.700 0.077 0.000 0.795 196 E HN 0.652 nan 8.360 nan 0.000 0.470 197 L N 0.604 121.755 121.223 -0.120 0.000 2.027 197 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 197 L C 2.655 179.357 176.870 -0.280 0.000 1.074 197 L CA 0.762 55.371 54.840 -0.384 0.000 0.745 197 L CB -0.405 41.489 42.059 -0.274 0.000 0.898 197 L HN 0.303 nan 8.230 nan 0.000 0.433 198 M N 0.601 120.197 119.600 -0.007 0.000 2.147 198 M HA -0.287 4.193 4.480 -0.000 0.000 0.253 198 M C 2.017 178.347 176.300 0.051 0.000 1.075 198 M CA 2.202 57.552 55.300 0.085 0.000 1.085 198 M CB -1.540 31.108 32.600 0.080 0.000 1.305 198 M HN 0.545 nan 8.290 nan 0.000 0.409 199 N N 1.029 119.728 118.700 -0.001 0.000 2.415 199 N HA -0.066 4.674 4.740 -0.000 0.000 0.176 199 N C 1.466 176.962 175.510 -0.023 0.000 1.042 199 N CA 1.157 54.217 53.050 0.015 0.000 0.902 199 N CB -0.774 37.723 38.487 0.018 0.000 0.986 199 N HN 0.585 nan 8.380 nan 0.000 0.447 200 I N -2.959 117.531 120.570 -0.132 0.000 3.291 200 I HA 0.043 4.213 4.170 -0.000 0.000 0.279 200 I C 1.350 177.384 176.117 -0.137 0.000 1.294 200 I CA 0.513 61.697 61.300 -0.192 0.000 1.428 200 I CB -0.558 37.221 38.000 -0.369 0.000 1.070 200 I HN -0.062 nan 8.210 nan 0.000 0.478 201 Y N 0.938 121.208 120.300 -0.050 0.000 2.509 201 Y HA 0.235 4.785 4.550 -0.000 0.000 0.270 201 Y C 1.966 177.853 175.900 -0.023 0.000 1.103 201 Y CA -0.384 57.689 58.100 -0.045 0.000 1.278 201 Y CB 0.160 38.594 38.460 -0.043 0.000 1.087 201 Y HN 0.046 nan 8.280 nan 0.000 0.542 202 K N 0.086 120.573 120.400 0.145 0.000 2.520 202 K HA -0.139 4.181 4.320 -0.000 0.000 0.197 202 K C 1.537 178.169 176.600 0.053 0.000 1.044 202 K CA 1.704 58.046 56.287 0.092 0.000 0.938 202 K CB -0.257 32.296 32.500 0.088 0.000 0.767 202 K HN 0.345 nan 8.250 nan 0.000 0.481 203 T N -2.953 111.640 114.554 0.064 0.000 3.010 203 T HA 0.011 4.361 4.350 -0.000 0.000 0.257 203 T C 0.428 175.156 174.700 0.048 0.000 1.020 203 T CA -0.432 61.693 62.100 0.042 0.000 0.938 203 T CB 0.213 69.103 68.868 0.036 0.000 1.049 203 T HN -0.096 nan 8.240 nan 0.000 0.522 204 D N 2.557 123.004 120.400 0.078 0.000 2.359 204 D HA 0.130 4.770 4.640 -0.000 0.000 0.250 204 D C 0.680 176.997 176.300 0.028 0.000 1.264 204 D CA -0.106 53.936 54.000 0.069 0.000 0.911 204 D CB 0.428 41.278 40.800 0.083 0.000 1.056 204 D HN 0.117 nan 8.370 nan 0.000 0.499 205 N N 2.557 121.281 118.700 0.040 0.000 2.133 205 N HA -0.264 4.475 4.740 -0.000 0.000 0.193 205 N C 1.422 176.997 175.510 0.109 0.000 1.012 205 N CA 1.196 54.271 53.050 0.042 0.000 0.871 205 N CB -0.276 38.243 38.487 0.054 0.000 1.011 205 N HN 0.699 nan 8.380 nan 0.000 0.435 206 H N -0.080 119.005 119.070 0.026 0.000 2.276 206 H HA 0.065 4.621 4.556 -0.000 0.000 0.307 206 H C 1.548 176.974 175.328 0.164 0.000 1.061 206 H CA 0.649 56.755 56.048 0.097 0.000 1.336 206 H CB 0.184 29.967 29.762 0.034 0.000 1.396 206 H HN -0.021 nan 8.280 nan 0.000 0.503 207 L N 1.467 122.716 121.223 0.044 0.000 2.552 207 L HA -0.031 4.308 4.340 -0.000 0.000 0.227 207 L C 2.250 179.133 176.870 0.022 0.000 1.146 207 L CA 0.761 55.588 54.840 -0.021 0.000 0.858 207 L CB -0.371 41.441 42.059 -0.413 0.000 0.969 207 L HN 0.243 nan 8.230 nan 0.000 0.451 208 K N -0.638 119.710 120.400 -0.087 0.000 2.242 208 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 208 K C 1.755 178.210 176.600 -0.243 0.000 1.045 208 K CA 1.470 57.637 56.287 -0.200 0.000 0.930 208 K CB 0.025 32.316 32.500 -0.347 0.000 0.726 208 K HN 0.489 nan 8.250 nan 0.000 0.462 209 H N -1.268 117.823 119.070 0.035 0.000 2.273 209 H HA -0.046 4.510 4.556 -0.000 0.000 0.317 209 H C 2.048 177.333 175.328 -0.070 0.000 1.062 209 H CA 1.474 57.476 56.048 -0.078 0.000 1.419 209 H CB -1.047 28.564 29.762 -0.252 0.000 1.442 209 H HN 0.162 nan 8.280 nan 0.000 0.542 210 Y N 2.623 122.980 120.300 0.095 0.000 2.073 210 Y HA -0.337 4.213 4.550 -0.000 0.000 0.270 210 Y C 2.845 178.736 175.900 -0.016 0.000 1.226 210 Y CA 1.685 59.783 58.100 -0.004 0.000 1.117 210 Y CB -1.119 37.283 38.460 -0.097 0.000 0.939 210 Y HN 0.180 nan 8.280 nan 0.000 0.504 211 L N -1.485 119.823 121.223 0.143 0.000 1.924 211 L HA -0.302 4.038 4.340 -0.000 0.000 0.237 211 L C 2.298 179.201 176.870 0.054 0.000 1.090 211 L CA 1.979 56.858 54.840 0.066 0.000 0.829 211 L CB -1.345 40.755 42.059 0.068 0.000 0.903 211 L HN 0.197 nan 8.230 nan 0.000 0.430 212 H N 0.443 119.538 119.070 0.042 0.000 2.394 212 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 212 H C 2.346 177.681 175.328 0.011 0.000 1.113 212 H CA 2.289 58.354 56.048 0.028 0.000 1.277 212 H CB -0.366 29.417 29.762 0.035 0.000 1.370 212 H HN 0.488 nan 8.280 nan 0.000 0.506 213 I N 0.249 120.906 120.570 0.145 0.000 2.953 213 I HA -0.223 3.946 4.170 -0.000 0.000 0.271 213 I C 1.423 177.571 176.117 0.052 0.000 1.286 213 I CA 1.018 62.364 61.300 0.075 0.000 1.449 213 I CB -0.026 37.994 38.000 0.034 0.000 1.086 213 I HN 0.227 nan 8.210 nan 0.000 0.483 214 I N -1.651 118.945 120.570 0.045 0.000 4.866 214 I HA 0.166 4.336 4.170 -0.000 0.000 0.325 214 I C 0.277 176.364 176.117 -0.050 0.000 1.240 214 I CA 0.055 61.358 61.300 0.005 0.000 1.355 214 I CB 0.625 38.628 38.000 0.005 0.000 1.395 214 I HN -0.035 nan 8.210 nan 0.000 0.479 215 E N 2.995 123.135 120.200 -0.099 0.000 2.266 215 E HA 0.397 4.747 4.350 -0.000 0.000 0.268 215 E C -0.782 175.705 176.600 -0.188 0.000 0.879 215 E CA -0.295 55.954 56.400 -0.251 0.000 0.762 215 E CB 1.691 31.050 29.700 -0.567 0.000 1.199 215 E HN 0.242 nan 8.360 nan 0.000 0.422 216 N N 1.560 120.195 118.700 -0.108 0.000 3.608 216 N HA -0.044 4.695 4.740 -0.000 0.000 0.134 216 N C -1.167 174.418 175.510 0.125 0.000 0.977 216 N CA -0.082 53.019 53.050 0.085 0.000 3.004 216 N CB -0.409 38.208 38.487 0.217 0.000 1.225 216 N HN 0.269 nan 8.380 nan 0.000 0.796 217 K N 0.548 121.001 120.400 0.088 0.000 2.240 217 K HA 0.514 4.834 4.320 -0.000 0.000 0.237 217 K C -1.362 175.340 176.600 0.170 0.000 1.027 217 K CA -1.508 54.834 56.287 0.092 0.000 0.937 217 K CB 1.059 33.573 32.500 0.024 0.000 1.171 217 K HN -0.134 nan 8.250 nan 0.000 0.479 218 P HA -0.036 nan 4.420 nan 0.000 0.230 218 P C -0.259 177.112 177.300 0.118 0.000 1.158 218 P CA 1.106 64.264 63.100 0.096 0.000 0.769 218 P CB 0.389 32.121 31.700 0.053 0.000 0.807 219 L N -1.859 119.467 121.223 0.170 0.000 2.359 219 L HA 0.488 4.827 4.340 -0.000 0.000 0.256 219 L C -0.952 176.151 176.870 0.388 0.000 1.026 219 L CA -1.246 53.707 54.840 0.189 0.000 0.828 219 L CB 1.803 43.899 42.059 0.061 0.000 1.406 219 L HN -0.284 nan 8.230 nan 0.000 0.413 220 Y N 1.185 121.455 120.300 -0.050 0.000 2.406 220 Y HA 0.406 4.956 4.550 -0.000 0.000 0.340 220 Y C -2.273 173.578 175.900 -0.082 0.000 0.975 220 Y CA -2.834 55.239 58.100 -0.045 0.000 1.056 220 Y CB 1.882 40.327 38.460 -0.025 0.000 1.210 220 Y HN 0.218 nan 8.280 nan 0.000 0.448 221 P HA 0.261 nan 4.420 nan 0.000 0.271 221 P C -0.954 176.344 177.300 -0.004 0.000 1.216 221 P CA 0.124 63.202 63.100 -0.037 0.000 0.776 221 P CB 1.605 33.355 31.700 0.084 0.000 0.881 222 V N 0.425 120.285 119.914 -0.091 0.000 3.120 222 V HA 0.610 4.730 4.120 -0.000 0.000 0.303 222 V C -0.783 175.206 176.094 -0.175 0.000 1.238 222 V CA -0.993 61.186 62.300 -0.202 0.000 1.008 222 V CB 2.120 33.676 31.823 -0.445 0.000 1.064 222 V HN 0.338 nan 8.190 nan 0.000 0.434 223 I N 3.203 123.643 120.570 -0.215 0.000 2.439 223 I HA 0.606 4.775 4.170 -0.000 0.000 0.285 223 I C -1.049 174.994 176.117 -0.123 0.000 1.021 223 I CA -0.367 60.899 61.300 -0.057 0.000 1.091 223 I CB 1.713 39.780 38.000 0.113 0.000 1.242 223 I HN 0.651 nan 8.210 nan 0.000 0.439 224 Y N 4.074 124.420 120.300 0.076 0.000 2.679 224 Y HA 0.576 5.126 4.550 -0.000 0.000 0.331 224 Y C 0.257 176.165 175.900 0.014 0.000 1.183 224 Y CA -0.867 57.241 58.100 0.014 0.000 1.290 224 Y CB 0.823 39.268 38.460 -0.026 0.000 1.489 224 Y HN 0.566 nan 8.280 nan 0.000 0.583 225 D N -2.586 117.863 120.400 0.081 0.000 2.677 225 D HA 0.134 4.773 4.640 -0.000 0.000 0.298 225 D C 0.594 176.762 176.300 -0.219 0.000 1.250 225 D CA -0.301 53.538 54.000 -0.268 0.000 0.888 225 D CB 1.393 41.862 40.800 -0.552 0.000 1.397 225 D HN 0.429 nan 8.370 nan 0.000 0.461 226 S N -0.123 115.395 115.700 -0.302 0.000 2.389 226 S HA -0.263 4.206 4.470 -0.000 0.000 0.229 226 S C 1.431 175.940 174.600 -0.151 0.000 1.048 226 S CA 2.204 60.286 58.200 -0.196 0.000 1.117 226 S CB -0.805 62.278 63.200 -0.195 0.000 1.020 226 S HN 0.529 nan 8.310 nan 0.000 0.430 227 N N 1.002 119.616 118.700 -0.143 0.000 2.184 227 N HA -0.106 4.634 4.740 -0.000 0.000 0.190 227 N C 1.534 176.974 175.510 -0.117 0.000 1.011 227 N CA 1.434 54.420 53.050 -0.105 0.000 0.867 227 N CB -0.779 37.665 38.487 -0.072 0.000 0.993 227 N HN 0.754 nan 8.380 nan 0.000 0.433 228 G N -0.832 107.889 108.800 -0.132 0.000 2.163 228 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.213 228 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.213 228 G C -0.058 174.779 174.900 -0.106 0.000 0.991 228 G CA 0.112 45.091 45.100 -0.201 0.000 0.653 228 G HN 0.199 nan 8.290 nan 0.000 0.518 229 V N 0.805 120.718 119.914 -0.002 0.000 2.715 229 V HA 0.449 4.569 4.120 -0.000 0.000 0.299 229 V C 1.253 177.471 176.094 0.205 0.000 1.054 229 V CA 0.062 62.418 62.300 0.094 0.000 1.077 229 V CB 1.771 33.691 31.823 0.162 0.000 0.972 229 V HN 0.692 nan 8.190 nan 0.000 0.484 230 V N 6.326 126.352 119.914 0.188 0.000 2.389 230 V HA 0.181 4.301 4.120 -0.000 0.000 0.264 230 V C 1.005 177.127 176.094 0.046 0.000 1.049 230 V CA -0.041 62.284 62.300 0.042 0.000 0.932 230 V CB 0.598 32.228 31.823 -0.321 0.000 1.011 230 V HN 0.762 nan 8.190 nan 0.000 0.475 231 L N 5.032 126.254 121.223 -0.003 0.000 2.005 231 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 231 L C 1.103 178.004 176.870 0.052 0.000 1.072 231 L CA 1.992 56.769 54.840 -0.106 0.000 0.744 231 L CB -0.836 41.118 42.059 -0.175 0.000 0.895 231 L HN 1.009 nan 8.230 nan 0.000 0.433 232 S N -2.616 113.126 115.700 0.070 0.000 2.645 232 S HA 0.243 4.713 4.470 -0.000 0.000 0.268 232 S C -0.690 173.963 174.600 0.088 0.000 1.110 232 S CA -0.730 57.633 58.200 0.271 0.000 0.823 232 S CB 1.424 64.843 63.200 0.364 0.000 1.091 232 S HN 0.105 nan 8.310 nan 0.000 0.466 233 M N 1.952 121.692 119.600 0.233 0.000 3.157 233 M HA 0.364 4.844 4.480 -0.000 0.000 0.213 233 M C -2.212 174.175 176.300 0.144 0.000 1.177 233 M CA -1.667 53.727 55.300 0.156 0.000 1.109 233 M CB -0.012 32.740 32.600 0.255 0.000 1.262 233 M HN 0.507 nan 8.290 nan 0.000 0.570 234 P HA -0.318 nan 4.420 nan 0.000 0.230 234 P C -1.749 175.569 177.300 0.031 0.000 0.769 234 P CA 2.674 65.826 63.100 0.087 0.000 1.097 234 P CB -1.516 30.265 31.700 0.135 0.000 0.679 235 P HA 0.009 nan 4.420 nan 0.000 0.221 235 P C 1.313 178.552 177.300 -0.102 0.000 1.155 235 P CA 1.037 64.118 63.100 -0.032 0.000 0.812 235 P CB -0.224 31.471 31.700 -0.008 0.000 0.801 236 I N -0.973 119.564 120.570 -0.056 0.000 2.490 236 I HA 0.036 4.206 4.170 -0.000 0.000 0.234 236 I C 0.962 176.974 176.117 -0.176 0.000 1.066 236 I CA 0.922 62.154 61.300 -0.113 0.000 1.405 236 I CB -0.810 37.197 38.000 0.012 0.000 1.191 236 I HN -0.150 nan 8.210 nan 0.000 0.433 237 I N -2.218 118.340 120.570 -0.019 0.000 3.006 237 I HA 0.486 4.656 4.170 -0.000 0.000 0.306 237 I C -0.992 175.210 176.117 0.143 0.000 1.250 237 I CA -1.332 59.954 61.300 -0.023 0.000 0.996 237 I CB 1.014 38.976 38.000 -0.064 0.000 1.261 237 I HN -0.083 nan 8.210 nan 0.000 0.442 238 N N 0.804 119.572 118.700 0.114 0.000 2.476 238 N HA 0.691 5.431 4.740 -0.000 0.000 0.276 238 N C -0.020 175.641 175.510 0.252 0.000 1.204 238 N CA -0.386 52.829 53.050 0.275 0.000 0.974 238 N CB 0.947 39.581 38.487 0.245 0.000 1.204 238 N HN 1.055 nan 8.380 nan 0.000 0.543 239 G N -0.835 108.241 108.800 0.459 0.000 2.403 239 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.259 239 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.259 239 G C 0.428 175.439 174.900 0.185 0.000 1.244 239 G CA -0.300 45.029 45.100 0.381 0.000 0.849 239 G HN 0.670 nan 8.290 nan 0.000 0.532 240 D N 0.833 121.279 120.400 0.076 0.000 2.264 240 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 240 D C 1.637 178.028 176.300 0.152 0.000 0.966 240 D CA 0.689 54.738 54.000 0.082 0.000 0.864 240 D CB 0.152 40.973 40.800 0.036 0.000 0.933 240 D HN 0.596 nan 8.370 nan 0.000 0.499 241 H N 0.915 120.048 119.070 0.105 0.000 2.326 241 H HA -0.047 4.509 4.556 -0.000 0.000 0.301 241 H C 1.680 177.065 175.328 0.095 0.000 1.081 241 H CA 2.390 58.495 56.048 0.095 0.000 1.334 241 H CB -0.315 29.514 29.762 0.110 0.000 1.385 241 H HN 0.049 nan 8.280 nan 0.000 0.504 242 S N 0.188 115.871 115.700 -0.028 0.000 2.660 242 S HA 0.105 4.575 4.470 -0.000 0.000 0.227 242 S C 0.967 175.633 174.600 0.110 0.000 0.948 242 S CA -0.580 57.593 58.200 -0.047 0.000 0.948 242 S CB -0.232 62.958 63.200 -0.017 0.000 0.779 242 S HN 0.388 nan 8.310 nan 0.000 0.487 243 R N 1.239 121.791 120.500 0.087 0.000 2.758 243 R HA 0.173 4.513 4.340 -0.000 0.000 0.263 243 R C -0.705 175.619 176.300 0.039 0.000 1.010 243 R CA 0.001 56.152 56.100 0.085 0.000 1.114 243 R CB 0.106 30.442 30.300 0.059 0.000 0.985 243 R HN 0.395 nan 8.270 nan 0.000 0.439 244 I N 0.719 121.312 120.570 0.038 0.000 2.378 244 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 244 I C -0.481 175.622 176.117 -0.023 0.000 0.992 244 I CA -0.344 60.940 61.300 -0.027 0.000 1.154 244 I CB 1.925 39.892 38.000 -0.055 0.000 1.315 244 I HN 0.420 nan 8.210 nan 0.000 0.448 245 T N 3.553 117.987 114.554 -0.200 0.000 2.916 245 T HA 0.360 4.710 4.350 -0.000 0.000 0.292 245 T C 1.407 175.750 174.700 -0.596 0.000 1.064 245 T CA -0.713 61.127 62.100 -0.434 0.000 1.011 245 T CB 2.153 70.834 68.868 -0.311 0.000 1.152 245 T HN 0.371 nan 8.240 nan 0.000 0.510 246 V N 1.672 121.081 119.914 -0.841 0.000 2.352 246 V HA -0.290 3.830 4.120 -0.000 0.000 0.263 246 V C 1.910 177.851 176.094 -0.255 0.000 1.103 246 V CA 1.972 63.970 62.300 -0.503 0.000 1.099 246 V CB -0.680 30.930 31.823 -0.356 0.000 0.685 246 V HN 0.784 nan 8.190 nan 0.000 0.455 247 N N -1.033 117.527 118.700 -0.234 0.000 2.336 247 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 247 N C 0.728 176.166 175.510 -0.121 0.000 1.113 247 N CA 0.239 53.211 53.050 -0.129 0.000 0.858 247 N CB 0.026 38.451 38.487 -0.102 0.000 0.970 247 N HN 0.480 nan 8.380 nan 0.000 0.471 248 T N 1.078 115.507 114.554 -0.208 0.000 2.946 248 T HA 0.040 4.390 4.350 -0.000 0.000 0.311 248 T C 1.405 176.065 174.700 -0.067 0.000 1.063 248 T CA 0.141 62.143 62.100 -0.164 0.000 1.139 248 T CB 1.750 70.462 68.868 -0.260 0.000 0.994 248 T HN 0.030 nan 8.240 nan 0.000 0.547 249 R N 1.750 122.240 120.500 -0.016 0.000 2.121 249 R HA 0.183 4.523 4.340 -0.000 0.000 0.206 249 R C 0.140 176.475 176.300 0.060 0.000 1.094 249 R CA 0.723 56.844 56.100 0.036 0.000 1.055 249 R CB 0.162 30.480 30.300 0.030 0.000 0.964 249 R HN 0.665 nan 8.270 nan 0.000 0.473 250 N N 0.324 119.053 118.700 0.048 0.000 2.314 250 N HA 0.398 5.138 4.740 -0.000 0.000 0.294 250 N C -0.982 174.574 175.510 0.077 0.000 1.029 250 N CA -0.408 52.688 53.050 0.076 0.000 0.845 250 N CB 2.539 41.079 38.487 0.089 0.000 1.321 250 N HN -0.069 nan 8.380 nan 0.000 0.481 251 I N 2.003 122.626 120.570 0.090 0.000 2.404 251 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 251 I C -1.016 175.192 176.117 0.152 0.000 0.992 251 I CA -0.805 60.548 61.300 0.088 0.000 1.149 251 I CB 1.285 39.295 38.000 0.017 0.000 1.315 251 I HN 0.447 nan 8.210 nan 0.000 0.446 252 F N 7.984 127.943 119.950 0.014 0.000 2.388 252 F HA 0.604 5.131 4.527 -0.000 0.000 0.358 252 F C -0.667 175.099 175.800 -0.057 0.000 1.122 252 F CA -0.594 57.387 58.000 -0.031 0.000 1.056 252 F CB 0.651 39.599 39.000 -0.086 0.000 1.155 252 F HN 0.193 nan 8.300 nan 0.000 0.461 253 I N 6.410 126.611 120.570 -0.615 0.000 2.377 253 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 253 I C -0.516 175.115 176.117 -0.810 0.000 0.987 253 I CA -0.646 60.330 61.300 -0.539 0.000 1.185 253 I CB 1.520 39.358 38.000 -0.270 0.000 1.341 253 I HN 0.531 nan 8.210 nan 0.000 0.455 254 E N 6.800 126.641 120.200 -0.598 0.000 2.266 254 E HA 0.495 4.845 4.350 -0.000 0.000 0.268 254 E C -1.997 174.389 176.600 -0.356 0.000 0.879 254 E CA -0.548 55.551 56.400 -0.501 0.000 0.762 254 E CB 2.231 31.748 29.700 -0.304 0.000 1.199 254 E HN 0.635 nan 8.360 nan 0.000 0.422 255 C N 2.742 121.817 119.300 -0.373 0.000 2.397 255 C HA 0.658 5.117 4.460 -0.000 0.000 0.325 255 C C 0.032 174.817 174.990 -0.341 0.000 1.201 255 C CA -0.450 58.378 59.018 -0.317 0.000 1.377 255 C CB 0.764 28.313 27.740 -0.318 0.000 2.038 255 C HN 0.808 nan 8.230 nan 0.000 0.457 256 T N 0.511 114.902 114.554 -0.271 0.000 2.942 256 T HA 0.976 5.326 4.350 -0.000 0.000 0.289 256 T C -0.103 174.560 174.700 -0.062 0.000 1.044 256 T CA 0.067 62.009 62.100 -0.264 0.000 1.023 256 T CB 2.096 70.761 68.868 -0.338 0.000 1.123 256 T HN 1.619 nan 8.240 nan 0.000 0.512 257 G N -0.125 108.717 108.800 0.069 0.000 2.320 257 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 257 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 257 G C 0.311 175.365 174.900 0.257 0.000 1.344 257 G CA 0.147 45.327 45.100 0.134 0.000 0.851 257 G HN 1.192 nan 8.290 nan 0.000 0.567 258 T N -2.920 111.767 114.554 0.222 0.000 3.051 258 T HA 0.205 4.555 4.350 -0.000 0.000 0.255 258 T C 0.445 175.473 174.700 0.548 0.000 1.085 258 T CA 1.463 63.709 62.100 0.243 0.000 1.109 258 T CB 0.306 69.247 68.868 0.121 0.000 0.921 258 T HN 0.434 nan 8.240 nan 0.000 0.488 259 D N 0.417 121.064 120.400 0.411 0.000 2.454 259 D HA 0.241 4.881 4.640 -0.000 0.000 0.225 259 D C 0.318 176.667 176.300 0.081 0.000 1.081 259 D CA -0.893 53.281 54.000 0.291 0.000 0.864 259 D CB 0.651 41.529 40.800 0.129 0.000 1.040 259 D HN 0.031 nan 8.370 nan 0.000 0.517 260 F N 3.200 122.851 119.950 -0.499 0.000 2.005 260 F HA -0.329 4.198 4.527 -0.000 0.000 0.297 260 F C 2.448 178.030 175.800 -0.363 0.000 1.175 260 F CA 2.904 60.352 58.000 -0.921 0.000 1.192 260 F CB -0.837 37.369 39.000 -1.323 0.000 0.953 260 F HN 0.433 nan 8.300 nan 0.000 0.504 261 T N -0.814 113.882 114.554 0.237 0.000 2.649 261 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 261 T C 1.971 176.662 174.700 -0.014 0.000 1.036 261 T CA 2.027 64.222 62.100 0.157 0.000 1.157 261 T CB -0.782 68.144 68.868 0.098 0.000 0.861 261 T HN 0.352 nan 8.240 nan 0.000 0.445 262 K N 1.557 121.930 120.400 -0.045 0.000 2.009 262 K HA 0.008 4.328 4.320 -0.000 0.000 0.210 262 K C 2.947 179.449 176.600 -0.162 0.000 1.049 262 K CA 1.353 57.580 56.287 -0.100 0.000 0.929 262 K CB -0.677 31.778 32.500 -0.076 0.000 0.714 262 K HN 0.461 nan 8.250 nan 0.000 0.440 263 A N 2.003 124.713 122.820 -0.184 0.000 1.873 263 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 263 A C 2.096 179.516 177.584 -0.272 0.000 1.193 263 A CA 2.073 53.963 52.037 -0.245 0.000 0.629 263 A CB -0.582 18.244 19.000 -0.291 0.000 0.826 263 A HN 0.286 nan 8.150 nan 0.000 0.447 264 K N -0.873 119.349 120.400 -0.297 0.000 2.127 264 K HA -0.181 4.138 4.320 -0.000 0.000 0.208 264 K C 1.746 178.280 176.600 -0.110 0.000 1.047 264 K CA 1.729 57.901 56.287 -0.192 0.000 0.927 264 K CB -0.210 32.251 32.500 -0.064 0.000 0.716 264 K HN 0.440 nan 8.250 nan 0.000 0.450 265 I N 0.390 120.884 120.570 -0.126 0.000 2.277 265 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 265 I C 2.254 178.257 176.117 -0.189 0.000 1.094 265 I CA 0.868 62.088 61.300 -0.134 0.000 1.393 265 I CB -0.929 36.982 38.000 -0.149 0.000 1.078 265 I HN -0.008 nan 8.210 nan 0.000 0.417 266 V N 1.348 121.118 119.914 -0.240 0.000 2.324 266 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 266 V C 2.584 178.542 176.094 -0.227 0.000 1.060 266 V CA 1.703 63.842 62.300 -0.267 0.000 1.042 266 V CB -0.783 30.869 31.823 -0.285 0.000 0.650 266 V HN 0.381 nan 8.190 nan 0.000 0.450 267 L N 0.047 121.144 121.223 -0.209 0.000 1.955 267 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 267 L C 2.389 179.184 176.870 -0.124 0.000 1.072 267 L CA 2.486 57.219 54.840 -0.179 0.000 0.755 267 L CB -0.580 41.373 42.059 -0.177 0.000 0.888 267 L HN 0.320 nan 8.230 nan 0.000 0.432 268 D N -0.018 120.322 120.400 -0.101 0.000 2.149 268 D HA -0.265 4.375 4.640 -0.000 0.000 0.194 268 D C 2.178 178.400 176.300 -0.129 0.000 1.001 268 D CA 1.570 55.517 54.000 -0.090 0.000 0.849 268 D CB -0.096 40.656 40.800 -0.080 0.000 0.939 268 D HN 0.255 nan 8.370 nan 0.000 0.449 269 I N 0.461 120.947 120.570 -0.141 0.000 2.142 269 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 269 I C 2.361 178.421 176.117 -0.095 0.000 1.078 269 I CA 1.072 62.292 61.300 -0.134 0.000 1.343 269 I CB -0.784 37.139 38.000 -0.129 0.000 1.046 269 I HN 0.124 nan 8.210 nan 0.000 0.405 270 I N -0.141 120.370 120.570 -0.099 0.000 2.099 270 I HA -0.297 3.873 4.170 -0.000 0.000 0.239 270 I C 2.697 178.864 176.117 0.082 0.000 1.066 270 I CA 1.274 62.541 61.300 -0.055 0.000 1.324 270 I CB -0.561 37.339 38.000 -0.166 0.000 1.037 270 I HN 0.013 nan 8.210 nan 0.000 0.401 271 V N -0.030 119.907 119.914 0.038 0.000 2.407 271 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 271 V C 2.564 178.716 176.094 0.096 0.000 1.055 271 V CA 2.648 65.007 62.300 0.098 0.000 1.049 271 V CB -0.253 31.602 31.823 0.053 0.000 0.662 271 V HN 0.527 nan 8.190 nan 0.000 0.455 272 T N -1.422 113.112 114.554 -0.032 0.000 2.904 272 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 272 T C 1.703 176.350 174.700 -0.089 0.000 1.059 272 T CA 1.793 63.778 62.100 -0.191 0.000 1.137 272 T CB -0.086 68.437 68.868 -0.575 0.000 0.879 272 T HN 0.364 nan 8.240 nan 0.000 0.467 273 M N 0.134 119.709 119.600 -0.043 0.000 2.081 273 M HA 0.212 4.692 4.480 -0.000 0.000 0.261 273 M C 1.149 177.353 176.300 -0.160 0.000 1.075 273 M CA 1.674 56.931 55.300 -0.071 0.000 1.133 273 M CB -0.429 32.144 32.600 -0.045 0.000 1.330 273 M HN 0.289 nan 8.290 nan 0.000 0.414 274 F N -0.486 119.471 119.950 0.011 0.000 2.797 274 F HA 0.107 4.634 4.527 -0.000 0.000 0.302 274 F C 2.190 177.944 175.800 -0.078 0.000 1.130 274 F CA 0.575 58.550 58.000 -0.040 0.000 1.387 274 F CB -0.647 38.495 39.000 0.237 0.000 1.107 274 F HN 0.266 nan 8.300 nan 0.000 0.577 275 S N -0.650 115.131 115.700 0.135 0.000 2.595 275 S HA -0.175 4.294 4.470 -0.000 0.000 0.235 275 S C 1.701 176.171 174.600 -0.217 0.000 0.974 275 S CA 0.755 59.010 58.200 0.092 0.000 0.942 275 S CB -0.598 62.748 63.200 0.243 0.000 0.766 275 S HN 0.612 nan 8.310 nan 0.000 0.536 276 E N 0.375 120.296 120.200 -0.466 0.000 2.347 276 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 276 E C 0.500 176.780 176.600 -0.533 0.000 1.008 276 E CA 0.629 56.447 56.400 -0.971 0.000 0.852 276 E CB -0.065 29.162 29.700 -0.788 0.000 0.783 276 E HN 0.896 nan 8.360 nan 0.000 0.505 277 Y N -0.831 119.353 120.300 -0.195 0.000 2.467 277 Y HA 0.206 4.756 4.550 -0.000 0.000 0.250 277 Y C 0.690 176.539 175.900 -0.086 0.000 1.155 277 Y CA -1.298 56.723 58.100 -0.132 0.000 1.249 277 Y CB 0.519 38.910 38.460 -0.116 0.000 1.146 277 Y HN 0.033 nan 8.280 nan 0.000 0.524 278 C N 1.017 120.347 119.300 0.050 0.000 2.534 278 C HA -0.012 4.448 4.460 -0.000 0.000 0.385 278 C C 2.251 177.257 174.990 0.026 0.000 1.264 278 C CA -0.316 58.734 59.018 0.054 0.000 2.342 278 C CB 1.080 28.854 27.740 0.057 0.000 2.564 278 C HN 0.599 nan 8.230 nan 0.000 0.603 279 E N 1.702 121.927 120.200 0.042 0.000 2.070 279 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 279 E C 1.085 177.698 176.600 0.022 0.000 1.004 279 E CA 1.228 57.647 56.400 0.031 0.000 0.805 279 E CB -0.070 29.654 29.700 0.038 0.000 0.744 279 E HN 0.676 nan 8.360 nan 0.000 0.451 280 N N 1.625 120.344 118.700 0.032 0.000 3.298 280 N HA -0.045 4.695 4.740 -0.000 0.000 0.292 280 N C -1.071 174.455 175.510 0.026 0.000 1.271 280 N CA -0.015 53.056 53.050 0.036 0.000 1.184 280 N CB 0.156 38.674 38.487 0.052 0.000 1.452 280 N HN 0.256 nan 8.380 nan 0.000 0.534 281 Q N 1.466 121.251 119.800 -0.024 0.000 2.873 281 Q HA -0.207 4.133 4.340 -0.000 0.000 0.385 281 Q C -0.439 175.546 176.000 -0.025 0.000 1.117 281 Q CA 0.899 56.617 55.803 -0.142 0.000 1.167 281 Q CB -0.080 28.535 28.738 -0.204 0.000 1.105 281 Q HN 0.553 nan 8.270 nan 0.000 0.444 282 F N 0.907 120.900 119.950 0.072 0.000 2.983 282 F HA -0.280 4.247 4.527 -0.000 0.000 0.288 282 F C 0.090 175.958 175.800 0.113 0.000 0.980 282 F CA 0.912 58.974 58.000 0.103 0.000 0.965 282 F CB -1.405 37.602 39.000 0.012 0.000 0.967 282 F HN 0.520 nan 8.300 nan 0.000 0.800 283 T N 0.450 115.147 114.554 0.239 0.000 2.933 283 T HA 0.728 5.078 4.350 -0.000 0.000 0.305 283 T C -0.857 173.945 174.700 0.170 0.000 1.092 283 T CA -0.583 61.629 62.100 0.186 0.000 1.008 283 T CB 1.721 70.665 68.868 0.126 0.000 1.102 283 T HN 0.024 nan 8.240 nan 0.000 0.469 284 V N 4.236 124.247 119.914 0.161 0.000 2.540 284 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 284 V C 0.080 176.247 176.094 0.121 0.000 1.035 284 V CA -0.934 61.451 62.300 0.141 0.000 0.873 284 V CB 1.711 33.620 31.823 0.143 0.000 0.992 284 V HN 0.929 nan 8.190 nan 0.000 0.428 285 E N 3.716 123.984 120.200 0.114 0.000 2.217 285 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 285 E C 0.457 177.127 176.600 0.117 0.000 1.068 285 E CA -0.327 56.140 56.400 0.111 0.000 0.882 285 E CB 1.084 30.853 29.700 0.114 0.000 1.039 285 E HN 0.896 nan 8.360 nan 0.000 0.418 286 A N 3.582 126.471 122.820 0.114 0.000 2.567 286 A HA 0.390 4.710 4.320 -0.000 0.000 0.236 286 A C -0.075 177.598 177.584 0.148 0.000 1.088 286 A CA 0.652 52.764 52.037 0.124 0.000 0.776 286 A CB 0.243 19.308 19.000 0.107 0.000 1.033 286 A HN 0.756 nan 8.150 nan 0.000 0.513 287 A N 0.281 123.207 122.820 0.178 0.000 2.547 287 A HA 0.617 4.937 4.320 -0.000 0.000 0.297 287 A C -0.622 177.110 177.584 0.246 0.000 1.056 287 A CA -0.364 51.797 52.037 0.206 0.000 0.688 287 A CB 1.029 20.138 19.000 0.182 0.000 1.282 287 A HN 0.882 nan 8.150 nan 0.000 0.400 288 E N 1.831 122.169 120.200 0.230 0.000 2.081 288 E HA 0.520 4.870 4.350 -0.000 0.000 0.276 288 E C -1.269 175.478 176.600 0.245 0.000 0.950 288 E CA -0.366 56.175 56.400 0.234 0.000 0.776 288 E CB 1.073 30.875 29.700 0.170 0.000 1.094 288 E HN 0.421 nan 8.360 nan 0.000 0.402 289 V N 5.208 125.319 119.914 0.330 0.000 2.407 289 V HA 0.242 4.362 4.120 -0.000 0.000 0.278 289 V C -0.144 176.079 176.094 0.215 0.000 1.037 289 V CA -0.719 61.714 62.300 0.221 0.000 0.900 289 V CB 1.554 33.470 31.823 0.155 0.000 0.983 289 V HN 0.471 nan 8.190 nan 0.000 0.459 290 V N 5.852 125.831 119.914 0.108 0.000 2.370 290 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 290 V C -0.208 175.944 176.094 0.097 0.000 1.023 290 V CA -0.496 61.876 62.300 0.120 0.000 0.857 290 V CB 1.203 33.084 31.823 0.098 0.000 0.985 290 V HN 0.610 nan 8.190 nan 0.000 0.443 291 F N 5.677 125.693 119.950 0.109 0.000 2.375 291 F HA 0.363 4.890 4.527 -0.000 0.000 0.313 291 F C -1.061 174.820 175.800 0.134 0.000 1.176 291 F CA -1.678 56.430 58.000 0.180 0.000 1.142 291 F CB 0.559 39.723 39.000 0.274 0.000 1.275 291 F HN 0.343 nan 8.300 nan 0.000 0.544 292 P HA -0.189 nan 4.420 nan 0.000 0.219 292 P C 1.411 178.826 177.300 0.192 0.000 1.146 292 P CA 1.235 64.451 63.100 0.194 0.000 0.808 292 P CB 0.038 31.841 31.700 0.173 0.000 0.779 293 N N -0.354 118.504 118.700 0.263 0.000 2.272 293 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 293 N C 1.491 177.092 175.510 0.152 0.000 1.014 293 N CA 1.889 55.057 53.050 0.197 0.000 0.870 293 N CB -0.482 38.138 38.487 0.221 0.000 0.975 293 N HN 0.184 nan 8.380 nan 0.000 0.433 294 G N -0.078 108.819 108.800 0.162 0.000 2.213 294 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 294 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 294 G C 0.043 174.996 174.900 0.088 0.000 0.991 294 G CA 0.146 45.312 45.100 0.110 0.000 0.629 294 G HN 0.327 nan 8.290 nan 0.000 0.517 295 K N 0.839 121.292 120.400 0.089 0.000 2.126 295 K HA 0.670 4.990 4.320 -0.000 0.000 0.257 295 K C -0.166 176.352 176.600 -0.136 0.000 1.007 295 K CA -0.090 56.196 56.287 -0.002 0.000 0.928 295 K CB 1.328 33.850 32.500 0.037 0.000 1.013 295 K HN 0.170 nan 8.250 nan 0.000 0.473 296 S N 1.747 117.331 115.700 -0.193 0.000 2.552 296 S HA 0.360 4.830 4.470 -0.000 0.000 0.314 296 S C -0.906 173.581 174.600 -0.187 0.000 1.099 296 S CA -0.889 57.217 58.200 -0.156 0.000 1.070 296 S CB 0.716 63.924 63.200 0.013 0.000 0.998 296 S HN 0.384 nan 8.310 nan 0.000 0.474 297 H N 1.071 120.316 119.070 0.291 0.000 2.524 297 H HA 0.470 5.026 4.556 -0.000 0.000 0.353 297 H C -0.198 175.187 175.328 0.094 0.000 1.136 297 H CA -0.624 55.509 56.048 0.143 0.000 1.193 297 H CB 1.124 30.989 29.762 0.173 0.000 1.558 297 H HN 0.382 nan 8.280 nan 0.000 0.515 298 T N 2.934 117.484 114.554 -0.008 0.000 2.882 298 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 298 T C -0.197 174.335 174.700 -0.281 0.000 0.992 298 T CA -0.194 61.903 62.100 -0.006 0.000 1.076 298 T CB 0.251 69.125 68.868 0.010 0.000 0.961 298 T HN 0.260 nan 8.240 nan 0.000 0.490 299 F N 2.109 122.124 119.950 0.107 0.000 2.643 299 F HA 0.509 5.036 4.527 -0.000 0.000 0.314 299 F C -2.223 173.602 175.800 0.043 0.000 1.096 299 F CA -2.322 55.718 58.000 0.067 0.000 0.953 299 F CB 1.964 40.986 39.000 0.036 0.000 1.345 299 F HN 0.308 nan 8.300 nan 0.000 0.468 300 P HA 0.156 nan 4.420 nan 0.000 0.276 300 P C -1.316 176.079 177.300 0.159 0.000 1.244 300 P CA -0.446 62.823 63.100 0.282 0.000 0.801 300 P CB 0.877 32.662 31.700 0.141 0.000 1.006 301 E N 1.641 121.923 120.200 0.137 0.000 2.069 301 E HA 0.238 4.587 4.350 -0.000 0.000 0.254 301 E C -0.183 176.467 176.600 0.083 0.000 1.088 301 E CA -0.536 55.884 56.400 0.033 0.000 1.017 301 E CB -0.649 29.026 29.700 -0.040 0.000 1.226 301 E HN 0.319 nan 8.360 nan 0.000 0.458 302 L N 2.723 124.014 121.223 0.113 0.000 2.694 302 L HA -0.002 4.338 4.340 -0.000 0.000 0.287 302 L C 0.596 177.596 176.870 0.217 0.000 1.249 302 L CA -0.227 54.708 54.840 0.158 0.000 1.177 302 L CB -0.598 41.604 42.059 0.239 0.000 1.435 302 L HN 0.555 nan 8.230 nan 0.000 0.440 303 A N 3.366 126.255 122.820 0.115 0.000 2.524 303 A HA 0.140 4.460 4.320 -0.000 0.000 0.250 303 A C -0.661 176.979 177.584 0.095 0.000 1.078 303 A CA 0.272 52.372 52.037 0.104 0.000 0.761 303 A CB -0.198 18.823 19.000 0.036 0.000 1.012 303 A HN 0.508 nan 8.150 nan 0.000 0.500 304 Y N 2.555 122.868 120.300 0.022 0.000 2.555 304 Y HA 0.324 4.874 4.550 -0.000 0.000 0.326 304 Y C 0.608 176.517 175.900 0.016 0.000 0.984 304 Y CA -0.254 57.862 58.100 0.027 0.000 1.298 304 Y CB 1.123 39.604 38.460 0.035 0.000 1.094 304 Y HN 0.724 nan 8.280 nan 0.000 0.500 305 R N 2.285 122.820 120.500 0.059 0.000 2.490 305 R HA 0.412 4.752 4.340 -0.000 0.000 0.278 305 R C -0.338 175.993 176.300 0.053 0.000 1.069 305 R CA -0.553 55.573 56.100 0.044 0.000 1.080 305 R CB 0.903 31.206 30.300 0.005 0.000 1.030 305 R HN 0.411 nan 8.270 nan 0.000 0.491 306 K N 2.240 122.668 120.400 0.046 0.000 2.679 306 K HA 0.136 4.456 4.320 -0.000 0.000 0.188 306 K C -0.756 175.856 176.600 0.019 0.000 1.055 306 K CA -0.134 56.177 56.287 0.041 0.000 1.006 306 K CB 0.921 33.450 32.500 0.049 0.000 1.317 306 K HN 0.537 nan 8.250 nan 0.000 0.584 307 E N 1.473 121.677 120.200 0.007 0.000 2.345 307 E HA 0.259 4.608 4.350 -0.000 0.000 0.259 307 E C -0.374 176.221 176.600 -0.009 0.000 1.117 307 E CA -0.330 56.066 56.400 -0.005 0.000 0.913 307 E CB 1.299 30.988 29.700 -0.019 0.000 1.057 307 E HN 0.212 nan 8.360 nan 0.000 0.432 308 M N 2.012 121.603 119.600 -0.016 0.000 2.393 308 M HA 0.397 4.877 4.480 -0.000 0.000 0.316 308 M C -1.873 174.408 176.300 -0.030 0.000 1.087 308 M CA -0.779 54.511 55.300 -0.017 0.000 0.937 308 M CB 1.734 34.327 32.600 -0.011 0.000 1.668 308 M HN 0.279 nan 8.290 nan 0.000 0.438 309 V N 4.587 124.482 119.914 -0.032 0.000 2.789 309 V HA 0.551 4.671 4.120 -0.000 0.000 0.311 309 V C -0.371 175.703 176.094 -0.034 0.000 1.073 309 V CA -0.925 61.350 62.300 -0.043 0.000 0.921 309 V CB 2.321 34.112 31.823 -0.054 0.000 1.009 309 V HN 0.857 nan 8.190 nan 0.000 0.426 310 R N 2.093 122.572 120.500 -0.035 0.000 2.389 310 R HA 0.457 4.797 4.340 -0.000 0.000 0.295 310 R C 1.305 177.585 176.300 -0.033 0.000 1.075 310 R CA 0.255 56.338 56.100 -0.029 0.000 1.005 310 R CB 1.130 31.414 30.300 -0.026 0.000 0.987 310 R HN 0.921 nan 8.270 nan 0.000 0.452 311 A N 3.558 126.360 122.820 -0.031 0.000 1.917 311 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 311 A C 1.426 178.985 177.584 -0.041 0.000 1.182 311 A CA 1.627 53.642 52.037 -0.036 0.000 0.633 311 A CB -0.254 18.726 19.000 -0.033 0.000 0.819 311 A HN 0.781 nan 8.150 nan 0.000 0.448 312 D N -0.529 119.850 120.400 -0.036 0.000 2.149 312 D HA -0.158 4.481 4.640 -0.000 0.000 0.198 312 D C 1.839 178.116 176.300 -0.038 0.000 0.990 312 D CA 1.496 55.475 54.000 -0.036 0.000 0.839 312 D CB -0.270 40.513 40.800 -0.029 0.000 0.948 312 D HN 0.384 nan 8.370 nan 0.000 0.460 313 L N 1.362 122.562 121.223 -0.037 0.000 1.970 313 L HA -0.166 4.173 4.340 -0.000 0.000 0.212 313 L C 2.327 179.170 176.870 -0.045 0.000 1.071 313 L CA 1.432 56.249 54.840 -0.038 0.000 0.751 313 L CB -0.703 41.331 42.059 -0.041 0.000 0.889 313 L HN -0.028 nan 8.230 nan 0.000 0.432 314 I N -0.060 120.480 120.570 -0.050 0.000 2.113 314 I HA -0.401 3.769 4.170 -0.000 0.000 0.242 314 I C 2.284 178.361 176.117 -0.066 0.000 1.064 314 I CA 1.643 62.910 61.300 -0.055 0.000 1.320 314 I CB -0.750 37.217 38.000 -0.055 0.000 1.028 314 I HN 0.441 nan 8.210 nan 0.000 0.406 315 N N 1.069 119.726 118.700 -0.073 0.000 2.025 315 N HA -0.231 4.509 4.740 -0.000 0.000 0.194 315 N C 1.825 177.296 175.510 -0.065 0.000 1.044 315 N CA 1.413 54.413 53.050 -0.084 0.000 0.851 315 N CB -0.442 37.999 38.487 -0.077 0.000 1.036 315 N HN 0.337 nan 8.380 nan 0.000 0.422 316 K N 0.848 121.218 120.400 -0.050 0.000 2.281 316 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 316 K C 1.451 178.028 176.600 -0.039 0.000 1.046 316 K CA 1.036 57.299 56.287 -0.040 0.000 0.938 316 K CB 0.240 32.721 32.500 -0.032 0.000 0.737 316 K HN 0.001 nan 8.250 nan 0.000 0.458 317 K N -0.094 120.281 120.400 -0.042 0.000 2.168 317 K HA 0.016 4.336 4.320 -0.000 0.000 0.201 317 K C 2.030 178.600 176.600 -0.050 0.000 1.049 317 K CA 0.565 56.828 56.287 -0.040 0.000 0.974 317 K CB -0.001 32.478 32.500 -0.035 0.000 0.792 317 K HN -0.020 nan 8.250 nan 0.000 0.463 318 V N 0.053 119.932 119.914 -0.058 0.000 2.379 318 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 318 V C 1.285 177.339 176.094 -0.066 0.000 1.044 318 V CA 1.689 63.949 62.300 -0.067 0.000 1.036 318 V CB -0.461 31.323 31.823 -0.066 0.000 0.664 318 V HN 0.614 nan 8.190 nan 0.000 0.453 319 G N 0.711 109.475 108.800 -0.060 0.000 2.181 319 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.152 319 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.152 319 G C -0.139 174.736 174.900 -0.041 0.000 1.026 319 G CA 0.005 45.078 45.100 -0.045 0.000 0.699 319 G HN 0.706 nan 8.290 nan 0.000 0.497 320 I N -3.660 116.860 120.570 -0.084 0.000 3.042 320 I HA 0.868 5.038 4.170 -0.000 0.000 0.310 320 I C -0.161 175.878 176.117 -0.130 0.000 1.117 320 I CA -1.953 59.270 61.300 -0.128 0.000 1.003 320 I CB 1.987 39.787 38.000 -0.334 0.000 1.228 320 I HN -0.079 nan 8.210 nan 0.000 0.443 321 R N 2.415 122.845 120.500 -0.117 0.000 2.748 321 R HA 0.341 4.681 4.340 -0.000 0.000 0.283 321 R C -0.912 175.332 176.300 -0.093 0.000 1.507 321 R CA -0.509 55.539 56.100 -0.087 0.000 1.666 321 R CB 0.718 30.990 30.300 -0.047 0.000 1.237 321 R HN 0.575 nan 8.270 nan 0.000 0.633 322 E N 1.107 121.221 120.200 -0.143 0.000 2.283 322 E HA 0.109 4.459 4.350 -0.000 0.000 0.267 322 E C 0.315 176.869 176.600 -0.078 0.000 1.045 322 E CA -0.234 56.093 56.400 -0.120 0.000 0.884 322 E CB 1.480 31.062 29.700 -0.196 0.000 1.106 322 E HN 0.237 nan 8.360 nan 0.000 0.408 323 T N -1.121 113.404 114.554 -0.049 0.000 2.913 323 T HA 0.142 4.492 4.350 -0.000 0.000 0.297 323 T C -1.503 173.176 174.700 -0.035 0.000 1.029 323 T CA -1.492 60.587 62.100 -0.035 0.000 1.104 323 T CB 1.117 69.972 68.868 -0.021 0.000 0.964 323 T HN 0.129 nan 8.240 nan 0.000 0.532 324 P HA -0.212 nan 4.420 nan 0.000 0.216 324 P C 1.245 178.533 177.300 -0.019 0.000 1.150 324 P CA 1.378 64.462 63.100 -0.026 0.000 0.843 324 P CB 0.181 31.867 31.700 -0.022 0.000 0.787 325 E N -0.218 119.973 120.200 -0.015 0.000 2.077 325 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 325 E C 1.885 178.480 176.600 -0.008 0.000 0.989 325 E CA 1.031 57.425 56.400 -0.010 0.000 0.800 325 E CB -0.235 29.460 29.700 -0.008 0.000 0.746 325 E HN 0.155 nan 8.360 nan 0.000 0.452 326 N N 0.436 119.129 118.700 -0.010 0.000 2.270 326 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 326 N C 1.858 177.364 175.510 -0.006 0.000 1.016 326 N CA 0.465 53.512 53.050 -0.004 0.000 0.870 326 N CB -0.180 38.307 38.487 -0.001 0.000 0.979 326 N HN 0.145 nan 8.380 nan 0.000 0.431 327 L N 1.580 122.789 121.223 -0.023 0.000 2.046 327 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 327 L C 2.334 179.201 176.870 -0.005 0.000 1.077 327 L CA 1.273 56.096 54.840 -0.028 0.000 0.747 327 L CB -1.030 41.004 42.059 -0.043 0.000 0.896 327 L HN 0.088 nan 8.230 nan 0.000 0.432 328 A N -0.859 121.958 122.820 -0.004 0.000 1.883 328 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 328 A C 2.322 179.913 177.584 0.012 0.000 1.186 328 A CA 1.984 54.023 52.037 0.004 0.000 0.624 328 A CB -0.476 18.525 19.000 0.001 0.000 0.822 328 A HN 0.422 nan 8.150 nan 0.000 0.444 329 K N -0.470 119.935 120.400 0.009 0.000 2.044 329 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 329 K C 1.914 178.526 176.600 0.021 0.000 1.049 329 K CA 1.376 57.668 56.287 0.008 0.000 0.927 329 K CB -0.408 32.094 32.500 0.003 0.000 0.713 329 K HN 0.332 nan 8.250 nan 0.000 0.443 330 L N 1.115 122.359 121.223 0.036 0.000 1.956 330 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 330 L C 2.454 179.373 176.870 0.081 0.000 1.073 330 L CA 1.767 56.648 54.840 0.068 0.000 0.762 330 L CB -1.193 40.916 42.059 0.083 0.000 0.889 330 L HN 0.292 nan 8.230 nan 0.000 0.433 331 L N -0.757 120.503 121.223 0.063 0.000 2.089 331 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 331 L C 2.546 179.463 176.870 0.077 0.000 1.079 331 L CA 1.687 56.568 54.840 0.068 0.000 0.758 331 L CB -0.949 41.135 42.059 0.042 0.000 0.891 331 L HN 0.378 nan 8.230 nan 0.000 0.433 332 T N -0.663 113.924 114.554 0.054 0.000 2.652 332 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 332 T C 1.925 176.650 174.700 0.042 0.000 1.039 332 T CA 1.304 63.430 62.100 0.044 0.000 1.153 332 T CB -0.220 68.658 68.868 0.017 0.000 0.863 332 T HN 0.311 nan 8.240 nan 0.000 0.428 333 R N 0.190 120.716 120.500 0.044 0.000 2.261 333 R HA 0.011 4.350 4.340 -0.000 0.000 0.236 333 R C 1.632 178.037 176.300 0.174 0.000 1.141 333 R CA 0.956 57.088 56.100 0.053 0.000 1.001 333 R CB -0.247 30.064 30.300 0.017 0.000 0.866 333 R HN 0.247 nan 8.270 nan 0.000 0.468 334 M N -1.229 118.493 119.600 0.202 0.000 2.505 334 M HA 0.087 4.567 4.480 -0.000 0.000 0.230 334 M C -0.379 176.102 176.300 0.302 0.000 1.153 334 M CA 0.307 55.770 55.300 0.272 0.000 0.997 334 M CB -0.047 32.680 32.600 0.212 0.000 1.606 334 M HN 0.201 nan 8.290 nan 0.000 0.481 335 Y N -2.966 117.396 120.300 0.104 0.000 4.168 335 Y HA -0.302 4.248 4.550 -0.000 0.000 0.342 335 Y C -0.107 175.816 175.900 0.039 0.000 1.201 335 Y CA 0.312 58.451 58.100 0.065 0.000 1.722 335 Y CB -1.171 37.324 38.460 0.058 0.000 0.841 335 Y HN 0.052 nan 8.280 nan 0.000 0.405 336 L N 2.897 124.236 121.223 0.194 0.000 2.395 336 L HA 0.094 4.433 4.340 -0.000 0.000 0.268 336 L C 0.650 177.572 176.870 0.088 0.000 1.223 336 L CA 0.293 55.200 54.840 0.112 0.000 1.093 336 L CB 0.156 42.260 42.059 0.074 0.000 1.349 336 L HN 0.037 nan 8.230 nan 0.000 0.427 337 K N 2.213 122.670 120.400 0.094 0.000 2.402 337 K HA 0.080 4.399 4.320 -0.000 0.000 0.279 337 K C -0.251 176.380 176.600 0.052 0.000 1.082 337 K CA 0.145 56.472 56.287 0.068 0.000 1.080 337 K CB 0.355 32.901 32.500 0.078 0.000 0.899 337 K HN 0.468 nan 8.250 nan 0.000 0.469 338 S N 3.233 118.955 115.700 0.036 0.000 2.621 338 S HA 0.376 4.846 4.470 -0.000 0.000 0.302 338 S C -1.004 173.606 174.600 0.016 0.000 1.093 338 S CA -0.851 57.364 58.200 0.025 0.000 1.017 338 S CB 1.948 65.160 63.200 0.020 0.000 1.077 338 S HN 0.678 nan 8.310 nan 0.000 0.517 339 E N 1.131 121.338 120.200 0.011 0.000 2.321 339 E HA 0.384 4.734 4.350 -0.000 0.000 0.281 339 E C -1.564 175.037 176.600 0.002 0.000 0.910 339 E CA -0.534 55.870 56.400 0.006 0.000 0.770 339 E CB 1.384 31.088 29.700 0.008 0.000 1.225 339 E HN 0.369 nan 8.360 nan 0.000 0.417 340 V N 4.958 124.871 119.914 -0.002 0.000 2.715 340 V HA 0.125 4.245 4.120 -0.000 0.000 0.299 340 V C 0.614 176.705 176.094 -0.004 0.000 1.054 340 V CA 0.255 62.552 62.300 -0.005 0.000 1.077 340 V CB 0.884 32.703 31.823 -0.007 0.000 0.972 340 V HN 0.620 nan 8.190 nan 0.000 0.484 341 I N 4.710 125.277 120.570 -0.005 0.000 2.317 341 I HA 0.354 4.524 4.170 -0.000 0.000 0.286 341 I C 1.397 177.511 176.117 -0.005 0.000 1.119 341 I CA 0.551 61.849 61.300 -0.004 0.000 1.228 341 I CB -0.069 37.928 38.000 -0.004 0.000 1.476 341 I HN 0.952 nan 8.210 nan 0.000 0.514 342 G N 4.738 113.535 108.800 -0.005 0.000 5.218 342 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.342 342 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.342 342 G C 0.791 175.687 174.900 -0.006 0.000 1.391 342 G CA 0.620 45.717 45.100 -0.005 0.000 1.096 342 G HN 0.732 nan 8.290 nan 0.000 0.831 343 D N 3.098 123.494 120.400 -0.006 0.000 2.490 343 D HA 0.285 4.925 4.640 -0.000 0.000 0.255 343 D C 1.588 177.883 176.300 -0.009 0.000 1.248 343 D CA 1.073 55.069 54.000 -0.007 0.000 0.887 343 D CB -1.073 39.722 40.800 -0.007 0.000 0.978 343 D HN 1.703 nan 8.370 nan 0.000 0.491 344 G N 1.325 110.120 108.800 -0.009 0.000 2.485 344 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.315 344 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.315 344 G C 0.684 175.576 174.900 -0.013 0.000 0.914 344 G CA 1.148 46.242 45.100 -0.011 0.000 0.889 344 G HN 0.609 nan 8.290 nan 0.000 0.512 345 N N -1.555 117.137 118.700 -0.013 0.000 2.607 345 N HA 0.053 4.793 4.740 -0.000 0.000 0.207 345 N C 0.833 176.333 175.510 -0.016 0.000 1.040 345 N CA 0.027 53.068 53.050 -0.015 0.000 0.947 345 N CB 0.456 38.935 38.487 -0.013 0.000 1.293 345 N HN 0.483 nan 8.380 nan 0.000 0.446 346 Q N 0.775 120.566 119.800 -0.014 0.000 2.222 346 Q HA 0.487 4.827 4.340 -0.000 0.000 0.252 346 Q C -0.938 175.054 176.000 -0.013 0.000 0.926 346 Q CA -0.036 55.758 55.803 -0.015 0.000 0.899 346 Q CB 2.662 31.393 28.738 -0.012 0.000 1.250 346 Q HN 0.295 nan 8.270 nan 0.000 0.441 347 I N 1.046 121.608 120.570 -0.014 0.000 2.406 347 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 347 I C -0.242 175.871 176.117 -0.006 0.000 0.999 347 I CA -0.675 60.619 61.300 -0.010 0.000 1.124 347 I CB 1.721 39.714 38.000 -0.012 0.000 1.289 347 I HN 0.582 nan 8.210 nan 0.000 0.441 348 E N 7.168 127.368 120.200 -0.000 0.000 2.167 348 E HA 0.465 4.814 4.350 -0.000 0.000 0.284 348 E C -1.134 175.473 176.600 0.012 0.000 1.016 348 E CA -0.481 55.922 56.400 0.005 0.000 0.817 348 E CB 0.995 30.700 29.700 0.008 0.000 1.080 348 E HN 0.473 nan 8.360 nan 0.000 0.397 349 I N 3.727 124.304 120.570 0.012 0.000 2.404 349 I HA 0.241 4.411 4.170 -0.000 0.000 0.293 349 I C 0.012 176.149 176.117 0.034 0.000 0.992 349 I CA -0.632 60.680 61.300 0.020 0.000 1.149 349 I CB 1.776 39.781 38.000 0.008 0.000 1.315 349 I HN 0.515 nan 8.210 nan 0.000 0.446 350 E N 6.045 126.277 120.200 0.054 0.000 2.092 350 E HA 0.365 4.715 4.350 -0.000 0.000 0.271 350 E C -1.127 175.506 176.600 0.055 0.000 0.919 350 E CA -0.908 55.541 56.400 0.083 0.000 0.760 350 E CB 1.017 30.797 29.700 0.132 0.000 1.106 350 E HN 0.380 nan 8.360 nan 0.000 0.408 351 I N 7.847 128.424 120.570 0.012 0.000 2.347 351 I HA 0.175 4.345 4.170 -0.000 0.000 0.294 351 I C -2.210 173.781 176.117 -0.210 0.000 1.090 351 I CA -2.249 59.016 61.300 -0.059 0.000 1.314 351 I CB 0.546 38.514 38.000 -0.054 0.000 1.423 351 I HN 0.379 nan 8.210 nan 0.000 0.503 352 P HA 0.098 nan 4.420 nan 0.000 0.272 352 P C -1.861 175.139 177.300 -0.500 0.000 1.223 352 P CA -1.113 61.652 63.100 -0.558 0.000 0.784 352 P CB 0.099 31.663 31.700 -0.226 0.000 0.923 353 P HA -0.136 nan 4.420 nan 0.000 0.230 353 P C 0.986 178.119 177.300 -0.278 0.000 1.158 353 P CA 1.361 64.268 63.100 -0.322 0.000 0.769 353 P CB -0.428 31.144 31.700 -0.214 0.000 0.807 354 T N -2.714 111.626 114.554 -0.356 0.000 2.770 354 T HA -0.006 4.343 4.350 -0.000 0.000 0.263 354 T C 1.448 175.980 174.700 -0.280 0.000 1.039 354 T CA 0.451 62.327 62.100 -0.373 0.000 1.142 354 T CB -0.497 68.039 68.868 -0.554 0.000 0.868 354 T HN -0.059 nan 8.240 nan 0.000 0.435 355 R N 2.027 122.355 120.500 -0.286 0.000 2.891 355 R HA 0.534 4.874 4.340 -0.000 0.000 0.248 355 R C 0.694 176.919 176.300 -0.125 0.000 1.439 355 R CA 0.138 56.123 56.100 -0.192 0.000 1.288 355 R CB 0.174 30.378 30.300 -0.162 0.000 1.212 355 R HN 0.526 nan 8.270 nan 0.000 0.605 356 A N 2.020 124.798 122.820 -0.071 0.000 2.251 356 A HA -0.047 4.273 4.320 -0.000 0.000 0.209 356 A C 1.350 178.931 177.584 -0.006 0.000 1.187 356 A CA 0.275 52.300 52.037 -0.019 0.000 0.823 356 A CB 0.033 19.059 19.000 0.043 0.000 0.846 356 A HN 0.611 nan 8.150 nan 0.000 0.486 357 D N -0.274 120.089 120.400 -0.060 0.000 2.234 357 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 357 D C 0.148 176.417 176.300 -0.051 0.000 0.962 357 D CA 0.157 54.108 54.000 -0.080 0.000 0.855 357 D CB -0.174 40.524 40.800 -0.170 0.000 0.951 357 D HN 0.335 nan 8.370 nan 0.000 0.500 358 I N 2.438 122.978 120.570 -0.051 0.000 2.574 358 I HA -0.068 4.102 4.170 -0.000 0.000 0.291 358 I C 1.436 177.547 176.117 -0.011 0.000 1.131 358 I CA 0.275 61.555 61.300 -0.033 0.000 1.352 358 I CB 0.196 38.172 38.000 -0.040 0.000 1.431 358 I HN 0.159 nan 8.210 nan 0.000 0.543 359 I N 2.345 122.924 120.570 0.016 0.000 4.403 359 I HA 0.375 4.545 4.170 -0.000 0.000 0.331 359 I C 0.204 176.379 176.117 0.098 0.000 1.327 359 I CA -0.110 61.214 61.300 0.039 0.000 1.175 359 I CB 0.341 38.362 38.000 0.035 0.000 1.165 359 I HN 0.448 nan 8.210 nan 0.000 0.413 360 H N 0.534 119.590 119.070 -0.023 0.000 2.946 360 H HA 0.717 5.272 4.556 -0.000 0.000 0.365 360 H C 0.797 176.114 175.328 -0.019 0.000 1.197 360 H CA -0.043 55.993 56.048 -0.020 0.000 1.131 360 H CB 2.199 31.949 29.762 -0.021 0.000 1.849 360 H HN -0.021 nan 8.280 nan 0.000 0.555 361 A N 1.121 123.366 122.820 -0.958 0.000 1.917 361 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 361 A C 2.405 179.754 177.584 -0.392 0.000 1.182 361 A CA 2.048 53.719 52.037 -0.610 0.000 0.633 361 A CB -1.324 17.308 19.000 -0.614 0.000 0.819 361 A HN 0.749 nan 8.150 nan 0.000 0.448 362 C N -0.451 118.617 119.300 -0.387 0.000 2.411 362 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 362 C C 2.265 177.246 174.990 -0.014 0.000 1.288 362 C CA 1.076 60.073 59.018 -0.033 0.000 1.764 362 C CB -1.267 26.587 27.740 0.191 0.000 1.974 362 C HN 0.581 nan 8.230 nan 0.000 0.498 363 D N 0.751 121.144 120.400 -0.012 0.000 2.218 363 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 363 D C 1.983 178.265 176.300 -0.030 0.000 0.976 363 D CA 1.007 54.998 54.000 -0.014 0.000 0.853 363 D CB -0.123 40.671 40.800 -0.010 0.000 0.939 363 D HN 0.387 nan 8.370 nan 0.000 0.481 364 I N 0.777 121.319 120.570 -0.047 0.000 2.286 364 I HA -0.172 3.997 4.170 -0.000 0.000 0.245 364 I C 2.591 178.697 176.117 -0.018 0.000 1.104 364 I CA 0.584 61.864 61.300 -0.033 0.000 1.397 364 I CB -1.215 36.756 38.000 -0.048 0.000 1.072 364 I HN -0.095 nan 8.210 nan 0.000 0.417 365 V N 1.062 120.959 119.914 -0.028 0.000 2.282 365 V HA -0.311 3.808 4.120 -0.000 0.000 0.249 365 V C 2.524 178.626 176.094 0.013 0.000 1.057 365 V CA 2.104 64.395 62.300 -0.015 0.000 1.032 365 V CB -0.920 30.888 31.823 -0.025 0.000 0.645 365 V HN 0.453 nan 8.190 nan 0.000 0.447 366 E N 0.492 120.699 120.200 0.012 0.000 2.019 366 E HA -0.330 4.020 4.350 -0.000 0.000 0.208 366 E C 1.998 178.625 176.600 0.046 0.000 1.030 366 E CA 2.129 58.548 56.400 0.033 0.000 0.856 366 E CB -0.242 29.456 29.700 -0.003 0.000 0.781 366 E HN 0.604 nan 8.360 nan 0.000 0.471 367 D N 0.010 120.415 120.400 0.009 0.000 2.133 367 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 367 D C 1.783 178.130 176.300 0.078 0.000 1.001 367 D CA 1.644 55.655 54.000 0.017 0.000 0.844 367 D CB -0.546 40.265 40.800 0.019 0.000 0.944 367 D HN 0.364 nan 8.370 nan 0.000 0.447 368 A N 0.820 123.681 122.820 0.070 0.000 1.873 368 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 368 A C 2.329 180.000 177.584 0.146 0.000 1.193 368 A CA 2.825 54.912 52.037 0.084 0.000 0.629 368 A CB -1.004 18.015 19.000 0.032 0.000 0.826 368 A HN 0.268 nan 8.150 nan 0.000 0.447 369 A N -0.226 122.688 122.820 0.157 0.000 1.877 369 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 369 A C 2.133 179.941 177.584 0.373 0.000 1.186 369 A CA 1.519 53.716 52.037 0.267 0.000 0.620 369 A CB -0.658 18.470 19.000 0.213 0.000 0.822 369 A HN 0.516 nan 8.150 nan 0.000 0.443 370 I N -0.155 120.568 120.570 0.256 0.000 2.208 370 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 370 I C 2.933 179.174 176.117 0.205 0.000 1.097 370 I CA 1.131 62.465 61.300 0.058 0.000 1.363 370 I CB -0.364 37.542 38.000 -0.157 0.000 1.051 370 I HN 0.373 nan 8.210 nan 0.000 0.413 371 A N -0.018 122.979 122.820 0.295 0.000 1.930 371 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 371 A C 2.263 180.020 177.584 0.290 0.000 1.175 371 A CA 1.365 53.646 52.037 0.406 0.000 0.627 371 A CB -0.919 18.258 19.000 0.295 0.000 0.815 371 A HN 0.516 nan 8.150 nan 0.000 0.443 372 Y N 0.477 120.861 120.300 0.139 0.000 2.509 372 Y HA 0.275 4.825 4.550 -0.000 0.000 0.293 372 Y C 1.109 177.080 175.900 0.118 0.000 1.133 372 Y CA 0.541 58.700 58.100 0.098 0.000 1.283 372 Y CB -0.414 38.096 38.460 0.083 0.000 1.001 372 Y HN 0.585 nan 8.280 nan 0.000 0.555 373 G N -0.104 108.772 108.800 0.126 0.000 3.292 373 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.636 373 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.636 373 G C 0.290 175.276 174.900 0.145 0.000 1.069 373 G CA -0.098 45.034 45.100 0.053 0.000 0.890 373 G HN 0.513 nan 8.290 nan 0.000 0.427 374 Y N 1.099 121.402 120.300 0.006 0.000 2.132 374 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 374 Y C 2.638 178.546 175.900 0.014 0.000 1.193 374 Y CA 1.515 59.625 58.100 0.017 0.000 1.157 374 Y CB 0.006 38.456 38.460 -0.015 0.000 0.966 374 Y HN 0.612 nan 8.280 nan 0.000 0.511 375 N N 0.520 119.331 118.700 0.184 0.000 2.575 375 N HA -0.091 4.649 4.740 -0.000 0.000 0.192 375 N C 0.287 175.813 175.510 0.026 0.000 1.200 375 N CA 0.504 53.616 53.050 0.103 0.000 0.897 375 N CB -0.189 38.365 38.487 0.112 0.000 0.990 375 N HN 0.505 nan 8.380 nan 0.000 0.449 376 N N 0.399 119.079 118.700 -0.033 0.000 2.205 376 N HA 0.186 4.926 4.740 -0.000 0.000 0.201 376 N C 0.163 175.691 175.510 0.030 0.000 1.128 376 N CA -0.026 52.952 53.050 -0.120 0.000 0.867 376 N CB 1.315 39.529 38.487 -0.456 0.000 0.996 376 N HN 0.219 nan 8.380 nan 0.000 0.503 377 I N 1.554 122.189 120.570 0.108 0.000 2.371 377 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 377 I C 0.878 177.044 176.117 0.082 0.000 1.028 377 I CA -0.374 61.024 61.300 0.163 0.000 1.345 377 I CB 0.991 39.060 38.000 0.115 0.000 1.407 377 I HN -0.093 nan 8.210 nan 0.000 0.501 378 Q N 7.360 127.206 119.800 0.076 0.000 2.297 378 Q HA 0.226 4.566 4.340 -0.000 0.000 0.267 378 Q C -0.704 175.309 176.000 0.023 0.000 1.006 378 Q CA -0.411 55.418 55.803 0.043 0.000 0.896 378 Q CB 0.826 29.588 28.738 0.039 0.000 1.186 378 Q HN 0.559 nan 8.270 nan 0.000 0.392 379 M N 3.783 123.393 119.600 0.016 0.000 2.217 379 M HA 0.153 4.633 4.480 -0.000 0.000 0.352 379 M C 0.090 176.392 176.300 0.004 0.000 1.376 379 M CA 0.036 55.339 55.300 0.006 0.000 1.107 379 M CB 0.530 33.135 32.600 0.007 0.000 1.723 379 M HN 0.648 nan 8.290 nan 0.000 0.461 380 T N 1.239 115.792 114.554 -0.002 0.000 2.924 380 T HA 0.721 5.071 4.350 -0.000 0.000 0.291 380 T C -0.631 174.067 174.700 -0.003 0.000 1.045 380 T CA -1.042 61.057 62.100 -0.002 0.000 1.015 380 T CB 1.822 70.687 68.868 -0.004 0.000 1.103 380 T HN 0.651 nan 8.240 nan 0.000 0.496 381 L N 2.929 124.153 121.223 0.000 0.000 2.319 381 L HA 0.440 4.780 4.340 -0.000 0.000 0.281 381 L C -1.945 174.927 176.870 0.004 0.000 1.005 381 L CA -2.438 52.403 54.840 0.002 0.000 0.828 381 L CB 1.933 43.995 42.059 0.007 0.000 1.227 381 L HN 0.668 nan 8.230 nan 0.000 0.415 382 P HA -0.037 nan 4.420 nan 0.000 0.258 382 P C -0.916 176.393 177.300 0.014 0.000 1.172 382 P CA -0.088 63.014 63.100 0.003 0.000 0.762 382 P CB 0.502 32.201 31.700 -0.003 0.000 0.764 383 K N 2.886 123.296 120.400 0.016 0.000 2.778 383 K HA 0.219 4.539 4.320 -0.000 0.000 0.238 383 K C -0.094 176.531 176.600 0.042 0.000 1.233 383 K CA -0.054 56.251 56.287 0.029 0.000 1.195 383 K CB -0.030 32.482 32.500 0.021 0.000 1.743 383 K HN 0.457 nan 8.250 nan 0.000 0.418 384 T N -0.928 113.656 114.554 0.049 0.000 2.847 384 T HA 0.194 4.544 4.350 -0.000 0.000 0.291 384 T C -0.502 174.255 174.700 0.094 0.000 0.998 384 T CA -0.756 61.380 62.100 0.060 0.000 0.967 384 T CB 0.819 69.701 68.868 0.024 0.000 0.954 384 T HN 0.191 nan 8.240 nan 0.000 0.441 385 Y N 3.933 124.228 120.300 -0.008 0.000 2.442 385 Y HA 0.429 4.979 4.550 -0.000 0.000 0.330 385 Y C 0.401 176.296 175.900 -0.008 0.000 1.129 385 Y CA -0.124 57.972 58.100 -0.007 0.000 1.365 385 Y CB 0.394 38.850 38.460 -0.007 0.000 1.233 385 Y HN 0.869 nan 8.280 nan 0.000 0.529 386 T N 5.865 120.078 114.554 -0.568 0.000 2.921 386 T HA 0.519 4.869 4.350 -0.000 0.000 0.297 386 T C -0.950 173.392 174.700 -0.597 0.000 1.013 386 T CA -0.981 60.842 62.100 -0.461 0.000 0.990 386 T CB 1.084 69.822 68.868 -0.218 0.000 1.023 386 T HN 0.439 nan 8.240 nan 0.000 0.447 387 I N 2.569 122.866 120.570 -0.456 0.000 2.371 387 I HA 0.486 4.655 4.170 -0.000 0.000 0.290 387 I C 1.090 177.106 176.117 -0.169 0.000 1.028 387 I CA -0.606 60.511 61.300 -0.306 0.000 1.345 387 I CB 0.593 38.490 38.000 -0.172 0.000 1.407 387 I HN 0.980 nan 8.210 nan 0.000 0.501 388 A N 7.621 130.368 122.820 -0.121 0.000 2.351 388 A HA 0.519 4.839 4.320 -0.000 0.000 0.257 388 A C 0.001 177.560 177.584 -0.043 0.000 1.087 388 A CA -0.440 51.554 52.037 -0.072 0.000 0.798 388 A CB 0.359 19.330 19.000 -0.049 0.000 1.033 388 A HN 0.817 nan 8.150 nan 0.000 0.488 389 N N 0.859 119.542 118.700 -0.028 0.000 2.336 389 N HA 0.248 4.988 4.740 -0.000 0.000 0.290 389 N C -1.194 174.328 175.510 0.019 0.000 1.058 389 N CA -0.411 52.636 53.050 -0.006 0.000 0.865 389 N CB 1.945 40.424 38.487 -0.014 0.000 1.581 389 N HN 0.766 nan 8.380 nan 0.000 0.480 390 Q N 0.422 120.248 119.800 0.043 0.000 2.317 390 Q HA 0.343 4.683 4.340 -0.000 0.000 0.229 390 Q C -0.445 175.648 176.000 0.156 0.000 0.984 390 Q CA -0.366 55.485 55.803 0.080 0.000 0.911 390 Q CB 1.770 30.546 28.738 0.063 0.000 1.217 390 Q HN 0.527 nan 8.270 nan 0.000 0.501 391 F N 2.027 121.967 119.950 -0.017 0.000 2.413 391 F HA 0.160 4.687 4.527 -0.000 0.000 0.359 391 F C -1.795 173.997 175.800 -0.014 0.000 1.122 391 F CA -2.484 55.505 58.000 -0.019 0.000 1.160 391 F CB 0.966 39.952 39.000 -0.023 0.000 1.146 391 F HN 0.418 nan 8.300 nan 0.000 0.514 392 P HA -0.349 nan 4.420 nan 0.000 0.224 392 P C 1.974 179.201 177.300 -0.122 0.000 1.130 392 P CA 1.930 65.100 63.100 0.117 0.000 0.976 392 P CB 0.101 31.919 31.700 0.196 0.000 0.781 393 L N -1.034 119.916 121.223 -0.455 0.000 1.956 393 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 393 L C 2.160 178.806 176.870 -0.373 0.000 1.073 393 L CA 2.003 56.535 54.840 -0.514 0.000 0.762 393 L CB -0.858 40.665 42.059 -0.893 0.000 0.889 393 L HN 0.075 nan 8.230 nan 0.000 0.433 394 N N -0.099 118.326 118.700 -0.459 0.000 2.137 394 N HA -0.273 4.467 4.740 -0.000 0.000 0.190 394 N C 1.730 177.178 175.510 -0.103 0.000 1.017 394 N CA 1.491 54.411 53.050 -0.216 0.000 0.859 394 N CB -0.181 38.224 38.487 -0.136 0.000 1.002 394 N HN 0.391 nan 8.380 nan 0.000 0.428 395 K N 0.995 121.350 120.400 -0.075 0.000 2.002 395 K HA -0.137 4.182 4.320 -0.000 0.000 0.209 395 K C 2.153 178.736 176.600 -0.029 0.000 1.048 395 K CA 0.844 57.117 56.287 -0.022 0.000 0.930 395 K CB -0.236 32.264 32.500 0.001 0.000 0.714 395 K HN -0.013 nan 8.250 nan 0.000 0.438 396 L N 1.506 122.699 121.223 -0.050 0.000 1.990 396 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 396 L C 2.002 178.841 176.870 -0.051 0.000 1.072 396 L CA 2.240 57.052 54.840 -0.046 0.000 0.755 396 L CB -1.105 40.923 42.059 -0.051 0.000 0.889 396 L HN 0.257 nan 8.230 nan 0.000 0.432 397 T N -0.634 113.878 114.554 -0.070 0.000 2.635 397 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 397 T C 1.754 176.432 174.700 -0.036 0.000 1.040 397 T CA 1.768 63.833 62.100 -0.059 0.000 1.156 397 T CB -0.398 68.426 68.868 -0.074 0.000 0.863 397 T HN 0.408 nan 8.240 nan 0.000 0.430 398 E N 0.679 120.864 120.200 -0.025 0.000 2.171 398 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 398 E C 1.951 178.588 176.600 0.061 0.000 0.997 398 E CA 0.964 57.366 56.400 0.004 0.000 0.810 398 E CB -0.456 29.265 29.700 0.035 0.000 0.738 398 E HN 0.496 nan 8.360 nan 0.000 0.467 399 L N -0.671 120.579 121.223 0.045 0.000 2.049 399 L HA -0.090 4.250 4.340 -0.000 0.000 0.203 399 L C 2.428 179.309 176.870 0.019 0.000 1.074 399 L CA 0.746 55.624 54.840 0.063 0.000 0.749 399 L CB -0.442 41.624 42.059 0.012 0.000 0.907 399 L HN 0.176 nan 8.230 nan 0.000 0.439 400 L N -0.496 120.699 121.223 -0.047 0.000 2.043 400 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 400 L C 2.922 179.712 176.870 -0.134 0.000 1.075 400 L CA 1.331 56.103 54.840 -0.113 0.000 0.752 400 L CB -0.676 41.301 42.059 -0.136 0.000 0.891 400 L HN 0.260 nan 8.230 nan 0.000 0.432 401 R N -0.800 119.658 120.500 -0.069 0.000 2.112 401 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 401 R C 2.249 178.500 176.300 -0.081 0.000 1.137 401 R CA 1.574 57.659 56.100 -0.025 0.000 0.944 401 R CB -0.833 29.445 30.300 -0.038 0.000 0.857 401 R HN 0.491 nan 8.270 nan 0.000 0.435 402 H N 0.172 119.238 119.070 -0.007 0.000 2.489 402 H HA -0.077 4.479 4.556 -0.000 0.000 0.295 402 H C 1.430 176.726 175.328 -0.053 0.000 1.082 402 H CA 1.136 57.177 56.048 -0.011 0.000 1.295 402 H CB 0.049 29.804 29.762 -0.012 0.000 1.380 402 H HN 0.295 nan 8.280 nan 0.000 0.548 403 D N -0.471 119.926 120.400 -0.006 0.000 2.301 403 D HA -0.049 4.591 4.640 -0.000 0.000 0.206 403 D C 2.215 178.411 176.300 -0.173 0.000 0.979 403 D CA 0.048 54.002 54.000 -0.075 0.000 0.874 403 D CB 0.355 41.094 40.800 -0.102 0.000 0.968 403 D HN 0.183 nan 8.370 nan 0.000 0.510 404 M N 0.980 120.372 119.600 -0.345 0.000 2.117 404 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 404 M C 2.325 178.466 176.300 -0.265 0.000 1.065 404 M CA 0.750 55.680 55.300 -0.616 0.000 1.114 404 M CB -0.987 30.659 32.600 -1.591 0.000 1.361 404 M HN -0.073 nan 8.290 nan 0.000 0.408 405 A N 0.024 122.793 122.820 -0.085 0.000 1.898 405 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 405 A C 2.410 180.045 177.584 0.084 0.000 1.181 405 A CA 1.965 54.069 52.037 0.112 0.000 0.620 405 A CB -0.858 18.229 19.000 0.146 0.000 0.819 405 A HN 0.479 nan 8.150 nan 0.000 0.442 406 A N -0.175 122.670 122.820 0.040 0.000 1.933 406 A HA 0.223 4.543 4.320 -0.000 0.000 0.218 406 A C 2.115 179.725 177.584 0.043 0.000 1.175 406 A CA 1.636 53.695 52.037 0.037 0.000 0.628 406 A CB -0.780 18.227 19.000 0.012 0.000 0.814 406 A HN 1.137 nan 8.150 nan 0.000 0.444 407 A N -1.239 121.598 122.820 0.029 0.000 2.310 407 A HA 0.426 4.745 4.320 -0.000 0.000 0.230 407 A C 1.670 179.399 177.584 0.242 0.000 1.294 407 A CA 1.002 53.087 52.037 0.079 0.000 0.898 407 A CB -1.476 17.513 19.000 -0.019 0.000 0.917 407 A HN 1.872 nan 8.150 nan 0.000 0.491 408 G N -1.796 107.119 108.800 0.191 0.000 2.189 408 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 408 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 408 G C 0.010 175.034 174.900 0.207 0.000 0.975 408 G CA 0.537 45.742 45.100 0.176 0.000 0.644 408 G HN 0.363 nan 8.290 nan 0.000 0.537 409 F N 0.776 120.768 119.950 0.069 0.000 2.380 409 F HA 0.663 5.190 4.527 -0.000 0.000 0.321 409 F C 1.020 176.986 175.800 0.277 0.000 1.103 409 F CA -0.197 57.905 58.000 0.170 0.000 1.067 409 F CB 1.562 40.683 39.000 0.202 0.000 1.265 409 F HN -0.081 nan 8.300 nan 0.000 0.517 410 T N 1.061 115.857 114.554 0.402 0.000 2.807 410 T HA 0.206 4.556 4.350 -0.000 0.000 0.279 410 T C -0.637 174.033 174.700 -0.050 0.000 0.993 410 T CA -0.737 61.476 62.100 0.189 0.000 0.970 410 T CB 1.181 70.071 68.868 0.037 0.000 0.950 410 T HN 0.515 nan 8.240 nan 0.000 0.441 411 E N 1.966 121.980 120.200 -0.310 0.000 2.338 411 E HA 0.552 4.902 4.350 -0.000 0.000 0.272 411 E C -0.342 176.011 176.600 -0.413 0.000 1.029 411 E CA -0.532 55.384 56.400 -0.806 0.000 0.872 411 E CB 0.664 29.947 29.700 -0.695 0.000 1.015 411 E HN 0.723 nan 8.360 nan 0.000 0.417 412 A N 4.191 126.771 122.820 -0.400 0.000 2.392 412 A HA 0.634 4.954 4.320 -0.000 0.000 0.283 412 A C -0.904 176.555 177.584 -0.208 0.000 1.197 412 A CA -0.781 51.117 52.037 -0.232 0.000 0.895 412 A CB 1.096 19.992 19.000 -0.173 0.000 1.400 412 A HN 0.646 nan 8.150 nan 0.000 0.461 413 L N 1.062 122.184 121.223 -0.167 0.000 2.502 413 L HA 0.254 4.594 4.340 -0.000 0.000 0.249 413 L C -0.394 176.354 176.870 -0.205 0.000 1.446 413 L CA -0.198 54.528 54.840 -0.189 0.000 0.887 413 L CB 0.805 42.741 42.059 -0.206 0.000 1.126 413 L HN 0.831 nan 8.230 nan 0.000 0.509 414 T N 0.686 115.165 114.554 -0.125 0.000 2.906 414 T HA 0.126 4.476 4.350 -0.000 0.000 0.320 414 T C 0.071 174.727 174.700 -0.073 0.000 1.088 414 T CA 0.394 62.471 62.100 -0.038 0.000 1.120 414 T CB 0.333 69.206 68.868 0.010 0.000 1.000 414 T HN 0.029 nan 8.240 nan 0.000 0.550 415 F N 0.386 120.348 119.950 0.021 0.000 2.380 415 F HA 0.452 4.979 4.527 -0.000 0.000 0.325 415 F C 1.346 177.173 175.800 0.045 0.000 1.136 415 F CA -0.685 57.339 58.000 0.041 0.000 1.171 415 F CB 0.588 39.633 39.000 0.076 0.000 1.230 415 F HN 0.647 nan 8.300 nan 0.000 0.554 416 A N 2.149 125.107 122.820 0.229 0.000 2.178 416 A HA 0.296 4.615 4.320 -0.000 0.000 0.211 416 A C 0.339 178.016 177.584 0.156 0.000 1.157 416 A CA 0.383 52.505 52.037 0.141 0.000 0.780 416 A CB -0.411 18.638 19.000 0.082 0.000 0.828 416 A HN 0.532 nan 8.150 nan 0.000 0.476 417 L N -0.482 120.875 121.223 0.223 0.000 2.322 417 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 417 L C 0.033 177.032 176.870 0.215 0.000 1.012 417 L CA -0.822 54.144 54.840 0.210 0.000 0.815 417 L CB 1.867 44.070 42.059 0.240 0.000 1.295 417 L HN 0.566 nan 8.230 nan 0.000 0.438 418 C N -1.395 118.013 119.300 0.181 0.000 3.253 418 C HA 0.539 4.999 4.460 -0.000 0.000 0.361 418 C C -0.291 174.755 174.990 0.095 0.000 1.498 418 C CA -0.921 58.167 59.018 0.117 0.000 1.163 418 C CB 1.108 28.915 27.740 0.112 0.000 1.687 418 C HN 0.831 nan 8.230 nan 0.000 0.430 419 S N 0.387 116.120 115.700 0.056 0.000 2.554 419 S HA 0.399 4.869 4.470 -0.000 0.000 0.278 419 S C 0.620 175.258 174.600 0.064 0.000 1.242 419 S CA -0.215 58.013 58.200 0.046 0.000 1.051 419 S CB 1.209 64.410 63.200 0.001 0.000 0.986 419 S HN 0.894 nan 8.310 nan 0.000 0.502 420 Q N 1.686 121.533 119.800 0.079 0.000 2.096 420 Q HA -0.292 4.048 4.340 -0.000 0.000 0.208 420 Q C 2.035 178.073 176.000 0.064 0.000 0.993 420 Q CA 2.255 58.114 55.803 0.093 0.000 0.862 420 Q CB -0.589 28.221 28.738 0.121 0.000 0.915 420 Q HN 1.034 nan 8.270 nan 0.000 0.416 421 E N 0.881 121.100 120.200 0.031 0.000 2.273 421 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 421 E C 1.065 177.662 176.600 -0.005 0.000 1.002 421 E CA 1.390 57.787 56.400 -0.005 0.000 0.828 421 E CB -0.140 29.530 29.700 -0.049 0.000 0.747 421 E HN 0.334 nan 8.360 nan 0.000 0.491 422 D N 1.171 121.599 120.400 0.046 0.000 2.183 422 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 422 D C 1.724 178.159 176.300 0.224 0.000 0.969 422 D CA 1.236 55.327 54.000 0.151 0.000 0.842 422 D CB 0.113 41.017 40.800 0.174 0.000 0.957 422 D HN 0.505 nan 8.370 nan 0.000 0.484 423 I N -3.588 117.066 120.570 0.140 0.000 3.927 423 I HA 0.530 4.700 4.170 -0.000 0.000 0.332 423 I C 0.678 176.856 176.117 0.102 0.000 1.485 423 I CA -0.412 60.964 61.300 0.126 0.000 1.131 423 I CB 1.094 39.150 38.000 0.093 0.000 1.092 423 I HN -0.164 nan 8.210 nan 0.000 0.410 424 A N 0.551 123.429 122.820 0.095 0.000 1.663 424 A HA 0.272 4.592 4.320 -0.000 0.000 0.152 424 A C 1.093 178.716 177.584 0.064 0.000 1.634 424 A CA 0.543 52.626 52.037 0.077 0.000 1.780 424 A CB -0.593 18.449 19.000 0.070 0.000 1.649 424 A HN 0.201 nan 8.150 nan 0.000 1.147 425 D N 1.060 121.484 120.400 0.038 0.000 2.126 425 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 425 D C 1.471 177.774 176.300 0.005 0.000 1.001 425 D CA 1.899 55.908 54.000 0.015 0.000 0.841 425 D CB -0.207 40.588 40.800 -0.009 0.000 0.949 425 D HN 0.486 nan 8.370 nan 0.000 0.446 426 K N -0.306 120.072 120.400 -0.036 0.000 2.519 426 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 426 K C 1.230 177.899 176.600 0.114 0.000 1.041 426 K CA 0.461 56.693 56.287 -0.092 0.000 0.954 426 K CB 0.104 32.324 32.500 -0.467 0.000 0.774 426 K HN 0.255 nan 8.250 nan 0.000 0.480 427 L N -0.933 120.372 121.223 0.137 0.000 2.766 427 L HA 0.224 4.564 4.340 -0.000 0.000 0.242 427 L C 0.796 177.735 176.870 0.115 0.000 1.136 427 L CA -0.080 54.853 54.840 0.155 0.000 0.933 427 L CB 0.742 42.891 42.059 0.150 0.000 1.241 427 L HN 0.258 nan 8.230 nan 0.000 0.522 428 G N 0.910 109.766 108.800 0.094 0.000 2.149 428 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.235 428 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.235 428 G C -0.197 174.741 174.900 0.063 0.000 1.018 428 G CA 0.116 45.263 45.100 0.077 0.000 0.728 428 G HN 0.119 nan 8.290 nan 0.000 0.508 429 V N -0.340 119.612 119.914 0.063 0.000 3.007 429 V HA 0.565 4.685 4.120 -0.000 0.000 0.311 429 V C -0.335 175.789 176.094 0.051 0.000 1.120 429 V CA -1.255 61.078 62.300 0.056 0.000 0.980 429 V CB 2.080 33.941 31.823 0.063 0.000 1.033 429 V HN 0.283 nan 8.190 nan 0.000 0.429 430 D N 1.438 121.865 120.400 0.045 0.000 2.304 430 D HA 0.233 4.872 4.640 -0.000 0.000 0.250 430 D C 0.904 177.239 176.300 0.057 0.000 1.107 430 D CA -0.270 53.757 54.000 0.045 0.000 0.885 430 D CB 1.671 42.493 40.800 0.036 0.000 1.192 430 D HN 0.403 nan 8.370 nan 0.000 0.436 431 I N 2.551 123.162 120.570 0.069 0.000 2.908 431 I HA -0.260 3.910 4.170 -0.000 0.000 0.271 431 I C 2.233 178.419 176.117 0.115 0.000 1.275 431 I CA 0.833 62.194 61.300 0.102 0.000 1.446 431 I CB -0.839 37.243 38.000 0.136 0.000 1.092 431 I HN 0.293 nan 8.210 nan 0.000 0.482 432 S N -0.148 115.600 115.700 0.080 0.000 2.548 432 S HA 0.353 4.823 4.470 -0.000 0.000 0.215 432 S C 1.528 176.164 174.600 0.059 0.000 0.976 432 S CA 0.208 58.452 58.200 0.073 0.000 0.908 432 S CB 0.024 63.254 63.200 0.049 0.000 0.781 432 S HN 0.361 nan 8.310 nan 0.000 0.519 433 A N 1.385 124.237 122.820 0.053 0.000 2.594 433 A HA 0.451 4.771 4.320 -0.000 0.000 0.287 433 A C 1.488 179.095 177.584 0.038 0.000 1.227 433 A CA 0.251 52.312 52.037 0.041 0.000 0.952 433 A CB -0.375 18.647 19.000 0.036 0.000 1.161 433 A HN 0.544 nan 8.150 nan 0.000 0.524 434 T N -3.613 110.966 114.554 0.042 0.000 3.001 434 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 434 T C 0.872 175.579 174.700 0.012 0.000 1.040 434 T CA 0.448 62.566 62.100 0.030 0.000 0.985 434 T CB -0.064 68.825 68.868 0.035 0.000 1.011 434 T HN 0.283 nan 8.240 nan 0.000 0.509 435 K N 0.440 120.850 120.400 0.018 0.000 3.407 435 K HA -0.127 4.193 4.320 -0.000 0.000 0.312 435 K C 0.587 177.178 176.600 -0.014 0.000 1.302 435 K CA 0.726 57.018 56.287 0.009 0.000 0.931 435 K CB -2.581 29.916 32.500 -0.003 0.000 1.257 435 K HN 0.758 nan 8.250 nan 0.000 0.454 436 A N 0.908 123.702 122.820 -0.043 0.000 2.448 436 A HA 0.384 4.704 4.320 -0.000 0.000 0.239 436 A C 0.660 178.106 177.584 -0.231 0.000 1.080 436 A CA -0.078 51.882 52.037 -0.128 0.000 0.779 436 A CB 0.577 19.477 19.000 -0.167 0.000 1.026 436 A HN 0.078 nan 8.150 nan 0.000 0.499 437 V N 3.092 122.871 119.914 -0.225 0.000 2.472 437 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 437 V C -0.128 175.781 176.094 -0.308 0.000 1.037 437 V CA -0.522 61.667 62.300 -0.185 0.000 0.908 437 V CB 1.195 32.983 31.823 -0.057 0.000 0.985 437 V HN 0.877 nan 8.190 nan 0.000 0.454 438 H N 4.048 123.140 119.070 0.036 0.000 2.459 438 H HA 0.480 5.036 4.556 -0.000 0.000 0.332 438 H C -0.600 174.748 175.328 0.033 0.000 1.094 438 H CA -0.564 55.506 56.048 0.037 0.000 1.224 438 H CB 1.914 31.695 29.762 0.033 0.000 1.449 438 H HN 0.405 nan 8.280 nan 0.000 0.484 439 I N 1.570 122.230 120.570 0.149 0.000 2.428 439 I HA -0.022 4.148 4.170 -0.000 0.000 0.289 439 I C 1.056 177.229 176.117 0.093 0.000 1.019 439 I CA 0.153 61.509 61.300 0.094 0.000 1.351 439 I CB 1.060 39.105 38.000 0.075 0.000 1.412 439 I HN 0.407 nan 8.210 nan 0.000 0.513 440 S N 5.014 120.751 115.700 0.061 0.000 2.548 440 S HA 0.219 4.689 4.470 -0.000 0.000 0.277 440 S C 0.340 174.966 174.600 0.043 0.000 1.315 440 S CA -0.332 57.897 58.200 0.047 0.000 1.050 440 S CB -0.299 62.921 63.200 0.033 0.000 0.918 440 S HN 0.702 nan 8.310 nan 0.000 0.497 441 N N 2.364 121.088 118.700 0.040 0.000 2.669 441 N HA -0.108 4.632 4.740 -0.000 0.000 0.266 441 N C -2.618 172.928 175.510 0.060 0.000 1.024 441 N CA 0.846 53.920 53.050 0.040 0.000 0.766 441 N CB -0.889 37.614 38.487 0.027 0.000 0.898 441 N HN 0.544 nan 8.380 nan 0.000 0.548 442 P HA 0.051 nan 4.420 nan 0.000 0.276 442 P C 0.515 177.907 177.300 0.154 0.000 1.230 442 P CA -0.122 63.066 63.100 0.148 0.000 0.776 442 P CB 1.276 33.084 31.700 0.180 0.000 0.888 443 K N 0.753 121.291 120.400 0.230 0.000 1.970 443 K HA -0.081 4.239 4.320 -0.000 0.000 0.225 443 K C 1.407 178.054 176.600 0.079 0.000 1.045 443 K CA 1.496 57.887 56.287 0.172 0.000 1.002 443 K CB -0.729 31.925 32.500 0.256 0.000 0.743 443 K HN 0.499 nan 8.250 nan 0.000 0.445 444 T N -1.271 113.277 114.554 -0.011 0.000 2.770 444 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 444 T C 1.023 175.634 174.700 -0.149 0.000 0.981 444 T CA 0.086 62.068 62.100 -0.197 0.000 0.955 444 T CB 1.284 69.860 68.868 -0.488 0.000 1.060 444 T HN 0.301 nan 8.240 nan 0.000 0.531 445 A N 0.504 123.230 122.820 -0.158 0.000 2.014 445 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 445 A C 1.497 179.023 177.584 -0.097 0.000 1.163 445 A CA 1.145 53.129 52.037 -0.089 0.000 0.652 445 A CB -0.472 18.480 19.000 -0.079 0.000 0.808 445 A HN 0.911 nan 8.150 nan 0.000 0.449 446 E N -1.104 118.952 120.200 -0.240 0.000 2.303 446 E HA 0.225 4.575 4.350 -0.000 0.000 0.211 446 E C -0.431 176.111 176.600 -0.097 0.000 1.223 446 E CA -0.113 56.161 56.400 -0.210 0.000 1.344 446 E CB -0.522 29.000 29.700 -0.297 0.000 1.299 446 E HN 0.727 nan 8.360 nan 0.000 0.441 447 F N 0.162 120.108 119.950 -0.007 0.000 2.856 447 F HA 0.171 4.697 4.527 -0.000 0.000 0.333 447 F C 1.515 177.331 175.800 0.027 0.000 1.200 447 F CA -0.441 57.562 58.000 0.004 0.000 1.128 447 F CB 0.840 39.837 39.000 -0.004 0.000 1.172 447 F HN 0.008 nan 8.300 nan 0.000 0.511 448 Q N 0.173 120.097 119.800 0.208 0.000 2.089 448 Q HA 0.051 4.391 4.340 -0.000 0.000 0.195 448 Q C 0.412 176.512 176.000 0.167 0.000 0.963 448 Q CA 0.998 56.906 55.803 0.174 0.000 0.834 448 Q CB 0.587 29.414 28.738 0.148 0.000 0.906 448 Q HN 0.122 nan 8.270 nan 0.000 0.452 449 V N -0.453 119.533 119.914 0.120 0.000 3.074 449 V HA 0.671 4.791 4.120 -0.000 0.000 0.314 449 V C -1.009 175.113 176.094 0.047 0.000 1.117 449 V CA -1.121 61.197 62.300 0.030 0.000 1.014 449 V CB 1.833 33.640 31.823 -0.026 0.000 1.057 449 V HN 0.180 nan 8.190 nan 0.000 0.438 450 A N 1.865 124.690 122.820 0.008 0.000 2.292 450 A HA 0.663 4.983 4.320 -0.000 0.000 0.319 450 A C 0.282 177.889 177.584 0.039 0.000 1.206 450 A CA -0.652 51.407 52.037 0.036 0.000 0.835 450 A CB 0.346 19.358 19.000 0.021 0.000 1.164 450 A HN 0.831 nan 8.150 nan 0.000 0.505 451 R N 1.151 121.692 120.500 0.068 0.000 2.445 451 R HA -0.056 4.284 4.340 -0.000 0.000 0.276 451 R C -0.004 176.337 176.300 0.068 0.000 0.960 451 R CA 1.140 57.286 56.100 0.077 0.000 1.087 451 R CB -0.072 30.281 30.300 0.087 0.000 0.848 451 R HN 0.740 nan 8.270 nan 0.000 0.429 452 T N -0.571 114.029 114.554 0.077 0.000 3.041 452 T HA 0.076 4.426 4.350 -0.000 0.000 0.276 452 T C 0.011 174.778 174.700 0.111 0.000 0.948 452 T CA 0.415 62.560 62.100 0.075 0.000 0.885 452 T CB 0.674 69.570 68.868 0.047 0.000 1.175 452 T HN 0.744 nan 8.240 nan 0.000 0.529 453 T N 0.171 114.796 114.554 0.118 0.000 2.775 453 T HA 0.414 4.764 4.350 -0.000 0.000 0.320 453 T C -0.901 173.862 174.700 0.104 0.000 1.597 453 T CA -0.641 61.532 62.100 0.121 0.000 1.022 453 T CB 0.684 69.591 68.868 0.064 0.000 1.485 453 T HN -0.221 nan 8.240 nan 0.000 0.494 454 L N 2.953 124.235 121.223 0.097 0.000 2.554 454 L HA 0.283 4.622 4.340 -0.000 0.000 0.225 454 L C 2.319 179.200 176.870 0.018 0.000 1.104 454 L CA 0.369 55.249 54.840 0.066 0.000 0.866 454 L CB -1.289 40.819 42.059 0.081 0.000 1.047 454 L HN 0.632 nan 8.230 nan 0.000 0.468 455 L N 1.501 122.726 121.223 0.003 0.000 1.990 455 L HA -0.154 4.185 4.340 -0.000 0.000 0.213 455 L C -0.188 176.582 176.870 -0.167 0.000 1.072 455 L CA 2.386 57.190 54.840 -0.060 0.000 0.755 455 L CB -1.532 40.494 42.059 -0.055 0.000 0.889 455 L HN 0.147 nan 8.230 nan 0.000 0.432 456 P HA -0.147 nan 4.420 nan 0.000 0.208 456 P C 1.694 178.885 177.300 -0.181 0.000 1.189 456 P CA 1.932 64.886 63.100 -0.242 0.000 0.931 456 P CB -0.474 31.256 31.700 0.051 0.000 0.783 457 G N -0.180 108.603 108.800 -0.027 0.000 2.606 457 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.221 457 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.221 457 G C 1.596 176.466 174.900 -0.050 0.000 1.152 457 G CA 1.098 46.202 45.100 0.007 0.000 0.765 457 G HN 0.208 nan 8.290 nan 0.000 0.595 458 L N -0.684 120.493 121.223 -0.077 0.000 2.012 458 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 458 L C 2.914 179.698 176.870 -0.142 0.000 1.073 458 L CA 0.632 55.419 54.840 -0.088 0.000 0.748 458 L CB -0.419 41.607 42.059 -0.054 0.000 0.891 458 L HN 0.174 nan 8.230 nan 0.000 0.431 459 L N -0.072 121.012 121.223 -0.231 0.000 1.970 459 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 459 L C 2.471 179.223 176.870 -0.197 0.000 1.071 459 L CA 1.817 56.480 54.840 -0.296 0.000 0.751 459 L CB -0.896 40.796 42.059 -0.611 0.000 0.889 459 L HN 0.152 nan 8.230 nan 0.000 0.432 460 K N -1.332 118.989 120.400 -0.132 0.000 2.228 460 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 460 K C 1.924 178.506 176.600 -0.030 0.000 1.045 460 K CA 1.785 58.075 56.287 0.005 0.000 0.931 460 K CB -0.507 32.037 32.500 0.074 0.000 0.727 460 K HN 0.375 nan 8.250 nan 0.000 0.458 461 T N 1.455 115.970 114.554 -0.065 0.000 2.812 461 T HA -0.024 4.325 4.350 -0.000 0.000 0.264 461 T C 1.890 176.518 174.700 -0.120 0.000 1.042 461 T CA 0.950 63.008 62.100 -0.070 0.000 1.140 461 T CB -0.132 68.691 68.868 -0.075 0.000 0.870 461 T HN 0.148 nan 8.240 nan 0.000 0.445 462 I N 1.612 122.065 120.570 -0.196 0.000 2.226 462 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 462 I C 2.957 178.923 176.117 -0.252 0.000 1.100 462 I CA 1.107 62.214 61.300 -0.323 0.000 1.374 462 I CB -0.598 37.038 38.000 -0.608 0.000 1.057 462 I HN 0.167 nan 8.210 nan 0.000 0.413 463 A N 0.952 123.671 122.820 -0.168 0.000 1.917 463 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 463 A C 2.410 179.961 177.584 -0.055 0.000 1.182 463 A CA 2.177 54.168 52.037 -0.078 0.000 0.633 463 A CB -0.820 18.178 19.000 -0.005 0.000 0.819 463 A HN 0.472 nan 8.150 nan 0.000 0.448 464 A N -1.348 121.441 122.820 -0.052 0.000 2.238 464 A HA 0.089 4.408 4.320 -0.000 0.000 0.208 464 A C 1.091 178.648 177.584 -0.044 0.000 1.177 464 A CA 0.500 52.516 52.037 -0.034 0.000 0.804 464 A CB -0.168 18.821 19.000 -0.018 0.000 0.823 464 A HN 0.477 nan 8.150 nan 0.000 0.482 465 N N -0.030 118.627 118.700 -0.072 0.000 2.480 465 N HA 0.098 4.838 4.740 -0.000 0.000 0.281 465 N C 0.590 176.060 175.510 -0.067 0.000 1.381 465 N CA -0.144 52.865 53.050 -0.069 0.000 0.903 465 N CB 0.425 38.862 38.487 -0.084 0.000 1.274 465 N HN 0.502 nan 8.380 nan 0.000 0.505 466 R N 0.958 121.429 120.500 -0.048 0.000 2.127 466 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 466 R C 1.675 177.972 176.300 -0.006 0.000 1.134 466 R CA 1.106 57.194 56.100 -0.019 0.000 0.975 466 R CB -0.365 29.936 30.300 0.000 0.000 0.865 466 R HN 0.307 nan 8.270 nan 0.000 0.447 467 K N 0.166 120.557 120.400 -0.014 0.000 2.519 467 K HA -0.015 4.305 4.320 -0.000 0.000 0.196 467 K C 0.454 177.046 176.600 -0.013 0.000 1.041 467 K CA 0.660 56.941 56.287 -0.010 0.000 0.954 467 K CB -0.000 32.492 32.500 -0.012 0.000 0.774 467 K HN 0.035 nan 8.250 nan 0.000 0.480 468 M N 2.276 121.863 119.600 -0.022 0.000 2.235 468 M HA 0.277 4.757 4.480 -0.000 0.000 0.351 468 M C -2.057 174.233 176.300 -0.017 0.000 1.178 468 M CA -2.820 52.464 55.300 -0.027 0.000 1.143 468 M CB 0.057 32.629 32.600 -0.047 0.000 1.530 468 M HN -0.146 nan 8.290 nan 0.000 0.461 469 P HA -0.020 nan 4.420 nan 0.000 0.271 469 P C 1.116 178.402 177.300 -0.024 0.000 1.212 469 P CA -0.124 62.963 63.100 -0.021 0.000 0.788 469 P CB 0.391 32.075 31.700 -0.027 0.000 0.865 470 L N 0.066 121.275 121.223 -0.023 0.000 2.350 470 L HA -0.204 4.135 4.340 -0.000 0.000 0.250 470 L C -1.067 175.768 176.870 -0.059 0.000 1.109 470 L CA 1.785 56.606 54.840 -0.031 0.000 0.820 470 L CB -2.219 39.822 42.059 -0.030 0.000 0.977 470 L HN 0.501 nan 8.230 nan 0.000 0.423 471 P HA 0.280 nan 4.420 nan 0.000 0.301 471 P C -1.193 175.941 177.300 -0.278 0.000 1.338 471 P CA -0.190 62.752 63.100 -0.263 0.000 0.834 471 P CB 1.297 32.754 31.700 -0.406 0.000 0.967 472 L N 4.307 125.399 121.223 -0.220 0.000 2.276 472 L HA 0.351 4.690 4.340 -0.000 0.000 0.286 472 L C 0.845 177.520 176.870 -0.325 0.000 1.061 472 L CA -0.241 54.480 54.840 -0.199 0.000 0.807 472 L CB 0.867 42.858 42.059 -0.115 0.000 1.177 472 L HN 0.276 nan 8.230 nan 0.000 0.429 473 K N 5.173 125.347 120.400 -0.376 0.000 2.530 473 K HA 0.435 4.755 4.320 -0.000 0.000 0.230 473 K C -1.288 175.180 176.600 -0.219 0.000 1.002 473 K CA -0.724 55.188 56.287 -0.625 0.000 1.014 473 K CB 1.440 33.172 32.500 -1.280 0.000 1.286 473 K HN 0.261 nan 8.250 nan 0.000 0.480 474 L N 2.940 124.208 121.223 0.075 0.000 2.352 474 L HA 0.637 4.977 4.340 -0.000 0.000 0.269 474 L C -0.388 176.763 176.870 0.469 0.000 1.034 474 L CA -0.538 54.423 54.840 0.201 0.000 0.806 474 L CB 0.523 42.604 42.059 0.036 0.000 1.244 474 L HN 0.507 nan 8.230 nan 0.000 0.447 475 F N -0.829 119.225 119.950 0.174 0.000 2.744 475 F HA 0.751 5.278 4.527 -0.000 0.000 0.311 475 F C -1.254 174.568 175.800 0.038 0.000 1.144 475 F CA -0.774 57.290 58.000 0.107 0.000 0.938 475 F CB 1.463 40.508 39.000 0.076 0.000 1.292 475 F HN 0.530 nan 8.300 nan 0.000 0.444 476 E N 2.343 122.541 120.200 -0.004 0.000 2.363 476 E HA 0.572 4.922 4.350 -0.000 0.000 0.281 476 E C -1.969 174.701 176.600 0.117 0.000 0.953 476 E CA -0.757 55.544 56.400 -0.164 0.000 0.778 476 E CB 2.493 32.109 29.700 -0.140 0.000 1.220 476 E HN 0.771 nan 8.360 nan 0.000 0.431 477 I N 2.848 123.476 120.570 0.097 0.000 2.502 477 I HA 0.336 4.506 4.170 -0.000 0.000 0.276 477 I C -0.351 175.781 176.117 0.025 0.000 1.057 477 I CA -0.138 61.221 61.300 0.099 0.000 1.163 477 I CB 1.307 39.376 38.000 0.115 0.000 1.288 477 I HN 0.264 nan 8.210 nan 0.000 0.479 478 S N 2.670 118.382 115.700 0.020 0.000 2.851 478 S HA 0.503 4.973 4.470 -0.000 0.000 0.313 478 S C -1.082 173.506 174.600 -0.020 0.000 1.163 478 S CA -0.707 57.486 58.200 -0.011 0.000 0.850 478 S CB 1.942 65.130 63.200 -0.020 0.000 1.245 478 S HN 0.408 nan 8.310 nan 0.000 0.558 479 D N 0.902 121.285 120.400 -0.028 0.000 2.294 479 D HA 0.642 5.282 4.640 -0.000 0.000 0.250 479 D C -0.541 175.756 176.300 -0.005 0.000 1.058 479 D CA -0.150 53.826 54.000 -0.039 0.000 0.950 479 D CB 0.908 41.691 40.800 -0.029 0.000 1.158 479 D HN 0.420 nan 8.370 nan 0.000 0.453 480 I N -1.817 118.749 120.570 -0.007 0.000 2.722 480 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 480 I C -1.035 175.131 176.117 0.080 0.000 1.161 480 I CA -1.050 60.282 61.300 0.053 0.000 1.032 480 I CB 1.687 39.755 38.000 0.114 0.000 1.244 480 I HN 0.094 nan 8.210 nan 0.000 0.421 481 V N 6.558 126.517 119.914 0.074 0.000 2.716 481 V HA 0.679 4.799 4.120 -0.000 0.000 0.304 481 V C -0.272 175.863 176.094 0.068 0.000 1.053 481 V CA -0.556 61.794 62.300 0.082 0.000 0.984 481 V CB 1.669 33.521 31.823 0.048 0.000 1.021 481 V HN 0.753 nan 8.190 nan 0.000 0.467 482 I N 3.761 124.383 120.570 0.087 0.000 2.918 482 I HA 0.399 4.569 4.170 -0.000 0.000 0.301 482 I C -0.715 175.440 176.117 0.062 0.000 1.312 482 I CA -1.005 60.323 61.300 0.046 0.000 1.007 482 I CB 2.577 40.575 38.000 -0.002 0.000 1.281 482 I HN 0.470 nan 8.210 nan 0.000 0.440 483 K N 2.964 123.386 120.400 0.037 0.000 2.249 483 K HA 0.252 4.572 4.320 -0.000 0.000 0.280 483 K C -0.967 175.668 176.600 0.059 0.000 1.033 483 K CA -0.291 56.022 56.287 0.044 0.000 0.946 483 K CB 0.767 33.288 32.500 0.034 0.000 1.005 483 K HN 0.406 nan 8.250 nan 0.000 0.469 484 D N 1.337 121.776 120.400 0.065 0.000 2.575 484 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 484 D C 0.057 176.387 176.300 0.051 0.000 1.279 484 D CA -0.303 53.740 54.000 0.072 0.000 0.925 484 D CB 1.542 42.404 40.800 0.103 0.000 1.261 484 D HN 0.340 nan 8.370 nan 0.000 0.567 485 S N 2.353 118.079 115.700 0.043 0.000 2.500 485 S HA -0.070 4.400 4.470 -0.000 0.000 0.239 485 S C 0.998 175.616 174.600 0.030 0.000 0.989 485 S CA 0.590 58.810 58.200 0.033 0.000 0.951 485 S CB -0.166 63.052 63.200 0.030 0.000 0.759 485 S HN 0.546 nan 8.310 nan 0.000 0.523 486 N N 1.847 120.567 118.700 0.034 0.000 2.453 486 N HA 0.097 4.837 4.740 -0.000 0.000 0.270 486 N C -0.649 174.875 175.510 0.023 0.000 1.195 486 N CA -0.092 52.974 53.050 0.027 0.000 0.902 486 N CB 0.693 39.197 38.487 0.028 0.000 1.186 486 N HN 0.286 nan 8.380 nan 0.000 0.510 487 T N -2.408 112.159 114.554 0.022 0.000 2.921 487 T HA 0.085 4.435 4.350 -0.000 0.000 0.297 487 T C 0.819 175.526 174.700 0.012 0.000 1.013 487 T CA -0.916 61.193 62.100 0.015 0.000 0.990 487 T CB 1.862 70.742 68.868 0.019 0.000 1.023 487 T HN 0.036 nan 8.240 nan 0.000 0.447 488 D N 2.330 122.732 120.400 0.005 0.000 2.220 488 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 488 D C 1.513 177.816 176.300 0.006 0.000 1.001 488 D CA 1.252 55.254 54.000 0.003 0.000 0.875 488 D CB -0.431 40.368 40.800 -0.003 0.000 0.921 488 D HN 0.355 nan 8.370 nan 0.000 0.454 489 V N -1.115 118.804 119.914 0.008 0.000 2.825 489 V HA 0.328 4.448 4.120 -0.000 0.000 0.246 489 V C 1.839 177.943 176.094 0.017 0.000 1.068 489 V CA 1.523 63.829 62.300 0.010 0.000 1.088 489 V CB 0.268 32.096 31.823 0.008 0.000 0.733 489 V HN 0.637 nan 8.190 nan 0.000 0.468 490 G N -0.735 108.078 108.800 0.022 0.000 2.255 490 G HA2 0.070 4.030 3.960 -0.000 0.000 0.196 490 G HA3 0.070 4.030 3.960 -0.000 0.000 0.196 490 G C 0.139 175.062 174.900 0.037 0.000 0.998 490 G CA 0.061 45.178 45.100 0.029 0.000 0.656 490 G HN 1.332 nan 8.290 nan 0.000 0.490 491 A N -0.523 122.320 122.820 0.039 0.000 2.527 491 A HA 0.930 5.250 4.320 -0.000 0.000 0.293 491 A C -0.613 177.008 177.584 0.063 0.000 1.117 491 A CA 0.164 52.233 52.037 0.054 0.000 0.723 491 A CB 1.948 20.974 19.000 0.043 0.000 1.313 491 A HN 0.857 nan 8.150 nan 0.000 0.411 492 K N 0.727 121.192 120.400 0.109 0.000 2.498 492 K HA 0.385 4.705 4.320 -0.000 0.000 0.254 492 K C -1.283 175.401 176.600 0.141 0.000 0.933 492 K CA -0.540 55.801 56.287 0.091 0.000 0.806 492 K CB 1.562 34.123 32.500 0.101 0.000 1.301 492 K HN 0.866 nan 8.250 nan 0.000 0.432 493 N N 2.071 120.773 118.700 0.003 0.000 2.508 493 N HA 0.291 5.031 4.740 -0.000 0.000 0.285 493 N C -1.431 174.009 175.510 -0.118 0.000 1.144 493 N CA -0.327 52.738 53.050 0.025 0.000 0.978 493 N CB 0.824 39.296 38.487 -0.024 0.000 1.180 493 N HN 0.320 nan 8.380 nan 0.000 0.484 494 Y N 0.220 120.426 120.300 -0.157 0.000 2.477 494 Y HA 0.316 4.866 4.550 -0.000 0.000 0.347 494 Y C 0.005 175.676 175.900 -0.381 0.000 0.981 494 Y CA -0.899 57.047 58.100 -0.257 0.000 1.033 494 Y CB 1.354 39.622 38.460 -0.321 0.000 1.245 494 Y HN 0.176 nan 8.280 nan 0.000 0.455 495 R N 2.994 123.400 120.500 -0.156 0.000 2.235 495 R HA 0.243 4.583 4.340 -0.000 0.000 0.338 495 R C -1.032 175.234 176.300 -0.056 0.000 1.087 495 R CA -0.334 55.693 56.100 -0.123 0.000 0.948 495 R CB -0.285 29.969 30.300 -0.076 0.000 1.099 495 R HN 0.666 nan 8.270 nan 0.000 0.483 496 H N 2.298 121.412 119.070 0.074 0.000 2.463 496 H HA 0.286 4.841 4.556 -0.000 0.000 0.332 496 H C -0.182 175.171 175.328 0.042 0.000 1.127 496 H CA -0.823 55.262 56.048 0.062 0.000 1.238 496 H CB 2.198 31.997 29.762 0.062 0.000 1.478 496 H HN 0.349 nan 8.280 nan 0.000 0.499 497 L N 2.988 124.308 121.223 0.161 0.000 2.280 497 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 497 L C -0.795 176.127 176.870 0.087 0.000 1.023 497 L CA -0.491 54.404 54.840 0.091 0.000 0.819 497 L CB 0.448 42.499 42.059 -0.014 0.000 1.212 497 L HN 0.601 nan 8.230 nan 0.000 0.420 498 C N 5.460 124.835 119.300 0.126 0.000 2.396 498 C HA 0.949 5.409 4.460 -0.000 0.000 0.321 498 C C 0.072 175.154 174.990 0.152 0.000 1.233 498 C CA 0.002 59.085 59.018 0.108 0.000 1.440 498 C CB 0.471 28.272 27.740 0.101 0.000 2.110 498 C HN 1.022 nan 8.230 nan 0.000 0.473 499 A N 4.348 127.250 122.820 0.136 0.000 2.479 499 A HA 0.964 5.284 4.320 -0.000 0.000 0.296 499 A C -0.765 176.977 177.584 0.263 0.000 1.121 499 A CA -0.175 51.999 52.037 0.228 0.000 0.743 499 A CB 1.650 20.692 19.000 0.070 0.000 1.323 499 A HN 2.044 nan 8.150 nan 0.000 0.415 500 V N -2.111 118.026 119.914 0.373 0.000 3.012 500 V HA 0.710 4.830 4.120 -0.000 0.000 0.307 500 V C -1.352 174.966 176.094 0.374 0.000 1.166 500 V CA -0.724 61.765 62.300 0.314 0.000 0.974 500 V CB 1.335 33.264 31.823 0.176 0.000 1.040 500 V HN 1.052 nan 8.190 nan 0.000 0.428 501 Y N 3.587 124.020 120.300 0.220 0.000 2.328 501 Y HA 0.721 5.271 4.550 -0.000 0.000 0.333 501 Y C -1.422 174.582 175.900 0.173 0.000 0.958 501 Y CA -0.977 57.217 58.100 0.156 0.000 1.167 501 Y CB 1.774 40.328 38.460 0.157 0.000 1.151 501 Y HN 0.837 nan 8.280 nan 0.000 0.470 502 Y N 7.160 127.350 120.300 -0.183 0.000 2.328 502 Y HA 0.492 5.042 4.550 -0.000 0.000 0.333 502 Y C -0.771 175.019 175.900 -0.182 0.000 0.958 502 Y CA -0.609 57.434 58.100 -0.095 0.000 1.167 502 Y CB 0.752 39.149 38.460 -0.106 0.000 1.151 502 Y HN 0.846 nan 8.280 nan 0.000 0.470 503 N N 2.919 121.466 118.700 -0.255 0.000 3.116 503 N HA 0.139 4.879 4.740 -0.000 0.000 0.244 503 N C 0.130 175.547 175.510 -0.154 0.000 1.485 503 N CA -0.721 52.238 53.050 -0.151 0.000 0.884 503 N CB 1.299 39.827 38.487 0.068 0.000 1.415 503 N HN 0.317 nan 8.380 nan 0.000 0.524 504 K N 0.289 120.639 120.400 -0.083 0.000 2.059 504 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 504 K C 0.359 176.923 176.600 -0.060 0.000 1.050 504 K CA 1.812 58.054 56.287 -0.075 0.000 0.927 504 K CB -0.974 31.507 32.500 -0.032 0.000 0.714 504 K HN 0.680 nan 8.250 nan 0.000 0.447 505 N N 0.306 119.006 118.700 0.001 0.000 2.314 505 N HA 0.261 5.001 4.740 -0.000 0.000 0.304 505 N C -2.935 172.615 175.510 0.067 0.000 1.073 505 N CA -1.883 51.172 53.050 0.008 0.000 0.822 505 N CB 2.109 40.606 38.487 0.015 0.000 1.280 505 N HN -0.206 nan 8.380 nan 0.000 0.489 506 P HA 0.152 nan 4.420 nan 0.000 0.275 506 P C 0.104 177.410 177.300 0.011 0.000 1.227 506 P CA -0.177 62.985 63.100 0.103 0.000 0.781 506 P CB 0.996 32.746 31.700 0.083 0.000 0.906 507 G N 1.891 110.567 108.800 -0.207 0.000 3.782 507 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.288 507 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.288 507 G C 0.599 175.376 174.900 -0.205 0.000 1.300 507 G CA -0.378 44.365 45.100 -0.595 0.000 1.261 507 G HN 0.394 nan 8.290 nan 0.000 0.591 508 F N 1.756 121.649 119.950 -0.096 0.000 2.225 508 F HA -0.214 4.312 4.527 -0.000 0.000 0.302 508 F C 2.144 177.957 175.800 0.022 0.000 1.068 508 F CA 1.995 60.002 58.000 0.011 0.000 1.327 508 F CB 0.423 39.455 39.000 0.054 0.000 1.043 508 F HN 0.409 nan 8.300 nan 0.000 0.506 509 E N -0.086 120.088 120.200 -0.044 0.000 2.190 509 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 509 E C 2.175 178.729 176.600 -0.077 0.000 0.978 509 E CA 1.145 57.495 56.400 -0.083 0.000 0.839 509 E CB -0.645 29.042 29.700 -0.023 0.000 0.787 509 E HN 0.562 nan 8.360 nan 0.000 0.473 510 I N 0.333 120.825 120.570 -0.130 0.000 2.761 510 I HA -0.105 4.065 4.170 -0.000 0.000 0.261 510 I C 1.339 177.431 176.117 -0.042 0.000 1.198 510 I CA 0.632 61.875 61.300 -0.095 0.000 1.482 510 I CB 0.248 38.137 38.000 -0.186 0.000 1.100 510 I HN 0.088 nan 8.210 nan 0.000 0.445 511 I N 0.438 120.957 120.570 -0.085 0.000 2.406 511 I HA -0.242 3.928 4.170 -0.000 0.000 0.249 511 I C 2.433 178.474 176.117 -0.127 0.000 1.122 511 I CA 1.336 62.618 61.300 -0.029 0.000 1.431 511 I CB -1.286 36.723 38.000 0.014 0.000 1.087 511 I HN 0.397 nan 8.210 nan 0.000 0.424 512 H N 1.007 119.874 119.070 -0.338 0.000 2.353 512 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 512 H C 2.004 177.237 175.328 -0.159 0.000 1.090 512 H CA 1.816 57.669 56.048 -0.325 0.000 1.327 512 H CB 0.088 29.593 29.762 -0.428 0.000 1.383 512 H HN 0.300 nan 8.280 nan 0.000 0.508 513 G N 1.004 109.769 108.800 -0.059 0.000 2.443 513 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 513 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 513 G C 1.828 176.661 174.900 -0.112 0.000 1.131 513 G CA 0.609 45.673 45.100 -0.059 0.000 0.775 513 G HN 0.391 nan 8.290 nan 0.000 0.547 514 L N 0.376 121.524 121.223 -0.125 0.000 2.027 514 L HA 0.158 4.498 4.340 -0.000 0.000 0.206 514 L C 2.575 179.302 176.870 -0.237 0.000 1.074 514 L CA 1.427 56.154 54.840 -0.187 0.000 0.745 514 L CB -0.520 41.399 42.059 -0.233 0.000 0.898 514 L HN 0.222 nan 8.230 nan 0.000 0.433 515 L N -0.853 120.225 121.223 -0.241 0.000 2.079 515 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 515 L C 2.081 178.786 176.870 -0.275 0.000 1.081 515 L CA 1.777 56.462 54.840 -0.259 0.000 0.752 515 L CB -0.553 41.368 42.059 -0.229 0.000 0.896 515 L HN 0.362 nan 8.230 nan 0.000 0.433 516 D N -0.485 119.772 120.400 -0.238 0.000 2.117 516 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 516 D C 2.183 178.382 176.300 -0.170 0.000 0.987 516 D CA 1.196 55.104 54.000 -0.153 0.000 0.829 516 D CB -0.028 40.719 40.800 -0.088 0.000 0.961 516 D HN 0.253 nan 8.370 nan 0.000 0.460 517 R N 1.006 121.405 120.500 -0.168 0.000 2.070 517 R HA -0.065 4.275 4.340 -0.000 0.000 0.233 517 R C 2.448 178.619 176.300 -0.215 0.000 1.137 517 R CA 0.940 56.944 56.100 -0.159 0.000 0.945 517 R CB -0.771 29.440 30.300 -0.150 0.000 0.845 517 R HN 0.119 nan 8.270 nan 0.000 0.430 518 I N 0.185 120.590 120.570 -0.274 0.000 2.145 518 I HA -0.385 3.785 4.170 -0.000 0.000 0.244 518 I C 2.146 178.037 176.117 -0.376 0.000 1.075 518 I CA 1.516 62.618 61.300 -0.330 0.000 1.332 518 I CB -0.310 37.465 38.000 -0.374 0.000 1.033 518 I HN 0.313 nan 8.210 nan 0.000 0.410 519 M N -0.340 118.990 119.600 -0.450 0.000 2.117 519 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 519 M C 2.291 178.402 176.300 -0.315 0.000 1.065 519 M CA 1.672 56.646 55.300 -0.544 0.000 1.114 519 M CB -1.251 30.721 32.600 -1.047 0.000 1.361 519 M HN 0.355 nan 8.290 nan 0.000 0.408 520 Q N -0.002 119.663 119.800 -0.225 0.000 2.135 520 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 520 Q C 1.946 177.879 176.000 -0.112 0.000 0.981 520 Q CA 1.093 56.826 55.803 -0.117 0.000 0.856 520 Q CB 0.128 28.816 28.738 -0.082 0.000 0.902 520 Q HN 0.306 nan 8.270 nan 0.000 0.425 521 L N 0.450 121.584 121.223 -0.149 0.000 2.056 521 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 521 L C 2.058 178.858 176.870 -0.116 0.000 1.078 521 L CA 1.462 56.224 54.840 -0.129 0.000 0.749 521 L CB -0.886 41.079 42.059 -0.157 0.000 0.901 521 L HN 0.366 nan 8.230 nan 0.000 0.433 522 L N -0.686 120.443 121.223 -0.157 0.000 2.627 522 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 522 L C 0.249 177.099 176.870 -0.035 0.000 1.144 522 L CA -0.034 54.741 54.840 -0.109 0.000 0.892 522 L CB -0.485 41.459 42.059 -0.191 0.000 1.039 522 L HN 0.259 nan 8.230 nan 0.000 0.442 523 D N 0.589 120.963 120.400 -0.043 0.000 2.697 523 D HA -0.168 4.472 4.640 -0.000 0.000 0.238 523 D C -0.694 175.626 176.300 0.033 0.000 1.152 523 D CA 0.318 54.317 54.000 -0.003 0.000 0.666 523 D CB -0.559 40.247 40.800 0.009 0.000 1.037 523 D HN -0.016 nan 8.370 nan 0.000 0.423 524 V N 2.266 122.192 119.914 0.021 0.000 2.313 524 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 524 V C -1.584 174.617 176.094 0.179 0.000 1.017 524 V CA -1.277 61.082 62.300 0.098 0.000 0.823 524 V CB 1.536 33.418 31.823 0.099 0.000 1.010 524 V HN 0.173 nan 8.190 nan 0.000 0.443 525 P HA 0.221 nan 4.420 nan 0.000 0.269 525 P C -2.719 174.788 177.300 0.345 0.000 1.209 525 P CA -1.395 61.843 63.100 0.231 0.000 0.776 525 P CB 0.543 32.317 31.700 0.123 0.000 0.876 526 P HA 0.255 nan 4.420 nan 0.000 0.279 526 P C 0.265 177.454 177.300 -0.184 0.000 1.239 526 P CA 0.746 63.681 63.100 -0.276 0.000 0.789 526 P CB 0.468 32.056 31.700 -0.186 0.000 0.933 527 G N 2.353 110.988 108.800 -0.275 0.000 2.663 527 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 527 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 527 G C 0.260 175.121 174.900 -0.066 0.000 1.246 527 G CA -0.465 44.554 45.100 -0.134 0.000 0.795 527 G HN 0.481 nan 8.290 nan 0.000 0.627 528 E N -0.143 120.030 120.200 -0.044 0.000 2.340 528 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 528 E C 1.478 178.078 176.600 -0.000 0.000 0.996 528 E CA 0.464 56.859 56.400 -0.009 0.000 0.869 528 E CB 0.111 29.800 29.700 -0.017 0.000 0.835 528 E HN 0.690 nan 8.360 nan 0.000 0.493 529 D N 1.347 121.741 120.400 -0.010 0.000 2.408 529 D HA -0.144 4.496 4.640 -0.000 0.000 0.248 529 D C 0.544 176.848 176.300 0.006 0.000 1.122 529 D CA 0.690 54.688 54.000 -0.004 0.000 0.964 529 D CB -0.107 40.687 40.800 -0.010 0.000 0.884 529 D HN 0.129 nan 8.370 nan 0.000 0.524 530 K N -0.687 119.723 120.400 0.017 0.000 2.637 530 K HA 0.280 4.600 4.320 -0.000 0.000 0.184 530 K C 0.333 176.956 176.600 0.038 0.000 1.200 530 K CA 0.007 56.309 56.287 0.026 0.000 1.122 530 K CB 1.372 33.891 32.500 0.032 0.000 0.926 530 K HN 0.082 nan 8.250 nan 0.000 0.535 531 G N 1.262 110.084 108.800 0.037 0.000 2.415 531 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.283 531 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.283 531 G C 0.194 175.142 174.900 0.080 0.000 1.014 531 G CA 0.194 45.321 45.100 0.044 0.000 1.323 531 G HN 0.470 nan 8.290 nan 0.000 0.502 532 G N 0.418 109.286 108.800 0.113 0.000 3.359 532 G HA2 0.953 4.913 3.960 -0.000 0.000 0.187 532 G HA3 0.953 4.913 3.960 -0.000 0.000 0.187 532 G C -0.331 174.765 174.900 0.326 0.000 1.294 532 G CA 0.038 45.270 45.100 0.221 0.000 0.769 532 G HN 1.781 nan 8.290 nan 0.000 0.733 533 Y N -1.319 119.034 120.300 0.089 0.000 2.609 533 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 533 Y C -0.969 174.988 175.900 0.095 0.000 1.129 533 Y CA -1.446 56.725 58.100 0.118 0.000 1.040 533 Y CB 1.698 40.249 38.460 0.151 0.000 1.310 533 Y HN 0.872 nan 8.280 nan 0.000 0.460 534 V N -0.034 119.878 119.914 -0.003 0.000 3.178 534 V HA 0.717 4.837 4.120 -0.000 0.000 0.302 534 V C -1.344 174.812 176.094 0.105 0.000 1.262 534 V CA -1.264 60.975 62.300 -0.103 0.000 1.030 534 V CB 1.830 33.597 31.823 -0.093 0.000 1.074 534 V HN 0.754 nan 8.190 nan 0.000 0.438 535 I N 1.087 121.698 120.570 0.068 0.000 2.330 535 I HA 0.610 4.780 4.170 -0.000 0.000 0.289 535 I C 0.027 176.210 176.117 0.110 0.000 1.001 535 I CA -0.574 60.818 61.300 0.154 0.000 1.193 535 I CB 1.141 39.261 38.000 0.200 0.000 1.345 535 I HN 0.572 nan 8.210 nan 0.000 0.461 536 K N 4.944 125.429 120.400 0.142 0.000 2.425 536 K HA 0.742 5.062 4.320 -0.000 0.000 0.259 536 K C -0.180 176.471 176.600 0.086 0.000 0.978 536 K CA -0.724 55.595 56.287 0.054 0.000 0.883 536 K CB 1.796 34.254 32.500 -0.072 0.000 1.110 536 K HN 0.795 nan 8.250 nan 0.000 0.436 537 A N 2.191 125.044 122.820 0.054 0.000 2.609 537 A HA 0.091 4.411 4.320 -0.000 0.000 0.232 537 A C 0.184 177.783 177.584 0.025 0.000 1.041 537 A CA 0.712 52.775 52.037 0.042 0.000 0.753 537 A CB 0.275 19.285 19.000 0.018 0.000 0.966 537 A HN 0.623 nan 8.150 nan 0.000 0.510 538 S N -0.153 115.548 115.700 0.002 0.000 2.688 538 S HA 0.566 5.036 4.470 -0.000 0.000 0.275 538 S C -1.434 173.135 174.600 -0.053 0.000 1.175 538 S CA -0.494 57.699 58.200 -0.011 0.000 0.818 538 S CB 1.438 64.648 63.200 0.018 0.000 1.157 538 S HN 0.927 nan 8.310 nan 0.000 0.482 539 E N -0.204 119.969 120.200 -0.045 0.000 2.195 539 E HA 0.708 5.058 4.350 -0.000 0.000 0.271 539 E C -0.556 176.024 176.600 -0.034 0.000 0.923 539 E CA -0.395 55.976 56.400 -0.048 0.000 0.790 539 E CB 1.586 31.263 29.700 -0.037 0.000 1.155 539 E HN 0.836 nan 8.360 nan 0.000 0.402 540 G N 3.583 112.389 108.800 0.010 0.000 2.719 540 G HA2 0.388 4.348 3.960 -0.000 0.000 0.298 540 G HA3 0.388 4.348 3.960 -0.000 0.000 0.298 540 G C -2.178 172.841 174.900 0.198 0.000 1.433 540 G CA -1.461 43.718 45.100 0.131 0.000 1.034 540 G HN 0.491 nan 8.290 nan 0.000 0.517 541 P HA 0.048 nan 4.420 nan 0.000 0.239 541 P C 1.028 178.388 177.300 0.100 0.000 1.184 541 P CA 0.828 63.970 63.100 0.071 0.000 0.760 541 P CB 0.719 32.455 31.700 0.061 0.000 0.884 542 A N -1.522 121.421 122.820 0.206 0.000 2.419 542 A HA 0.377 4.697 4.320 -0.000 0.000 0.233 542 A C 0.207 177.727 177.584 -0.107 0.000 1.217 542 A CA -0.133 51.932 52.037 0.047 0.000 0.944 542 A CB 0.061 19.020 19.000 -0.069 0.000 1.025 542 A HN 0.029 nan 8.150 nan 0.000 0.524 543 F N -1.174 118.842 119.950 0.109 0.000 2.508 543 F HA 0.544 5.070 4.527 -0.000 0.000 0.325 543 F C -0.174 175.709 175.800 0.138 0.000 1.090 543 F CA -1.969 56.118 58.000 0.145 0.000 0.945 543 F CB 0.869 39.924 39.000 0.092 0.000 1.156 543 F HN 0.118 nan 8.300 nan 0.000 0.463 544 F N 5.264 125.363 119.950 0.248 0.000 2.590 544 F HA 0.262 4.789 4.527 -0.000 0.000 0.389 544 F C -2.121 173.726 175.800 0.079 0.000 1.049 544 F CA -2.571 55.547 58.000 0.197 0.000 1.199 544 F CB 0.041 39.126 39.000 0.141 0.000 1.058 544 F HN 0.257 nan 8.300 nan 0.000 0.556 545 P HA 0.082 nan 4.420 nan 0.000 0.263 545 P C 0.450 177.526 177.300 -0.373 0.000 1.168 545 P CA 1.787 64.656 63.100 -0.385 0.000 0.759 545 P CB 0.310 31.754 31.700 -0.426 0.000 0.782 546 G N 2.758 111.438 108.800 -0.200 0.000 2.162 546 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 546 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 546 G C 0.339 175.151 174.900 -0.147 0.000 0.976 546 G CA -0.136 44.875 45.100 -0.148 0.000 0.655 546 G HN 0.633 nan 8.290 nan 0.000 0.533 547 R N -0.852 119.538 120.500 -0.182 0.000 2.711 547 R HA 0.481 4.821 4.340 -0.000 0.000 0.350 547 R C -0.330 175.725 176.300 -0.409 0.000 1.146 547 R CA 0.205 56.033 56.100 -0.453 0.000 1.190 547 R CB 0.357 30.457 30.300 -0.333 0.000 1.312 547 R HN 0.578 nan 8.270 nan 0.000 0.635 548 C N 0.407 119.601 119.300 -0.176 0.000 2.782 548 C HA 0.881 5.341 4.460 -0.000 0.000 0.328 548 C C -0.960 174.002 174.990 -0.046 0.000 1.145 548 C CA -0.142 58.796 59.018 -0.132 0.000 1.358 548 C CB 1.282 28.884 27.740 -0.230 0.000 1.841 548 C HN 0.676 nan 8.230 nan 0.000 0.477 549 A N 3.823 126.641 122.820 -0.003 0.000 2.532 549 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 549 A C -1.351 176.242 177.584 0.014 0.000 1.143 549 A CA -0.436 51.639 52.037 0.063 0.000 0.728 549 A CB 1.545 20.661 19.000 0.193 0.000 1.317 549 A HN 0.965 nan 8.150 nan 0.000 0.414 550 E N 0.414 120.679 120.200 0.108 0.000 2.212 550 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 550 E C -1.191 175.525 176.600 0.194 0.000 0.902 550 E CA -0.704 55.754 56.400 0.097 0.000 0.779 550 E CB 1.080 30.884 29.700 0.174 0.000 1.172 550 E HN 0.514 nan 8.360 nan 0.000 0.409 551 I N 3.673 124.263 120.570 0.034 0.000 2.336 551 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 551 I C -0.625 175.491 176.117 -0.001 0.000 0.991 551 I CA -0.425 60.950 61.300 0.125 0.000 1.227 551 I CB -0.162 37.897 38.000 0.098 0.000 1.366 551 I HN 0.443 nan 8.210 nan 0.000 0.466 552 F N 4.000 124.017 119.950 0.110 0.000 2.520 552 F HA 0.821 5.348 4.527 -0.000 0.000 0.322 552 F C 0.301 176.176 175.800 0.125 0.000 1.103 552 F CA -0.532 57.518 58.000 0.084 0.000 0.926 552 F CB 2.181 41.206 39.000 0.042 0.000 1.154 552 F HN 0.653 nan 8.300 nan 0.000 0.453 553 A N 1.839 124.787 122.820 0.214 0.000 2.586 553 A HA 0.654 4.974 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 -1.145 50.976 52.037 0.141 0.000 0.666 553 A CB 1.077 20.193 19.000 0.194 0.000 1.281 553 A HN 0.774 nan 8.150 nan 0.000 0.421 554 R N 0.137 120.610 120.500 -0.045 0.000 3.184 554 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 554 R C 1.028 177.299 176.300 -0.047 0.000 0.907 554 R CA 1.251 57.298 56.100 -0.088 0.000 0.618 554 R CB -2.054 28.110 30.300 -0.226 0.000 1.016 554 R HN 2.550 nan 8.270 nan 0.000 0.469 555 G N 0.178 108.988 108.800 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 -0.018 174.913 174.900 0.051 0.000 1.047 555 G CA 1.059 46.185 45.100 0.042 0.000 0.869 555 G HN 0.844 nan 8.290 nan 0.000 0.502 556 Q N -2.286 117.551 119.800 0.062 0.000 2.848 556 Q HA 0.572 4.912 4.340 -0.000 0.000 0.288 556 Q C -0.627 175.304 176.000 -0.116 0.000 0.907 556 Q CA -0.314 55.497 55.803 0.013 0.000 0.792 556 Q CB 0.197 28.920 28.738 -0.026 0.000 1.534 556 Q HN 0.878 nan 8.270 nan 0.000 0.419 557 S N 0.329 115.861 115.700 -0.279 0.000 2.488 557 S HA 0.276 4.746 4.470 -0.000 0.000 0.278 557 S C 0.279 174.726 174.600 -0.255 0.000 1.259 557 S CA -0.125 57.743 58.200 -0.554 0.000 1.061 557 S CB 0.755 63.644 63.200 -0.518 0.000 0.910 557 S HN 0.459 nan 8.310 nan 0.000 0.491 558 V N 4.817 124.614 119.914 -0.194 0.000 2.581 558 V HA 0.415 4.535 4.120 -0.000 0.000 0.240 558 V C 1.422 177.499 176.094 -0.029 0.000 1.054 558 V CA 1.245 63.536 62.300 -0.014 0.000 1.076 558 V CB -0.334 31.579 31.823 0.151 0.000 0.748 558 V HN 0.956 nan 8.190 nan 0.000 0.474 559 G N 0.062 108.816 108.800 -0.076 0.000 2.706 559 G HA2 0.527 4.487 3.960 -0.000 0.000 0.307 559 G HA3 0.527 4.487 3.960 -0.000 0.000 0.307 559 G C -1.640 173.207 174.900 -0.088 0.000 1.307 559 G CA -0.685 44.364 45.100 -0.084 0.000 0.790 559 G HN 0.292 nan 8.290 nan 0.000 0.503 560 K N -0.304 120.062 120.400 -0.056 0.000 2.376 560 K HA 0.750 5.070 4.320 -0.000 0.000 0.257 560 K C -1.335 175.264 176.600 -0.002 0.000 0.939 560 K CA -0.821 55.419 56.287 -0.078 0.000 0.809 560 K CB 2.804 35.257 32.500 -0.080 0.000 1.121 560 K HN 0.439 nan 8.250 nan 0.000 0.425 561 L N 2.488 123.701 121.223 -0.016 0.000 2.341 561 L HA 0.755 5.095 4.340 -0.000 0.000 0.278 561 L C -0.676 176.344 176.870 0.250 0.000 1.005 561 L CA -0.034 54.887 54.840 0.135 0.000 0.818 561 L CB 1.649 43.774 42.059 0.109 0.000 1.259 561 L HN 1.089 nan 8.230 nan 0.000 0.418 562 G N 3.082 112.261 108.800 0.632 0.000 2.349 562 G HA2 0.361 4.321 3.960 -0.000 0.000 0.294 562 G HA3 0.361 4.321 3.960 -0.000 0.000 0.294 562 G C -2.084 173.366 174.900 0.916 0.000 1.380 562 G CA -0.563 45.049 45.100 0.853 0.000 0.811 562 G HN 0.336 nan 8.290 nan 0.000 0.519 563 V N 1.507 121.755 119.914 0.556 0.000 2.370 563 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 563 V C 0.792 177.030 176.094 0.241 0.000 1.029 563 V CA -0.583 61.917 62.300 0.333 0.000 0.870 563 V CB 0.994 32.886 31.823 0.116 0.000 0.984 563 V HN 0.604 nan 8.190 nan 0.000 0.451 564 L N 4.390 125.652 121.223 0.066 0.000 2.559 564 L HA 0.065 4.405 4.340 -0.000 0.000 0.282 564 L C 0.566 177.487 176.870 0.085 0.000 1.232 564 L CA 0.052 54.847 54.840 -0.074 0.000 0.885 564 L CB -0.167 41.858 42.059 -0.057 0.000 1.131 564 L HN 0.684 nan 8.230 nan 0.000 0.498 565 H N 5.524 124.601 119.070 0.012 0.000 2.722 565 H HA 0.131 4.687 4.556 -0.000 0.000 0.328 565 H C -1.790 173.588 175.328 0.084 0.000 1.067 565 H CA -1.699 54.424 56.048 0.125 0.000 1.447 565 H CB 1.149 30.990 29.762 0.131 0.000 1.469 565 H HN 0.259 nan 8.280 nan 0.000 0.544 566 P HA -0.241 nan 4.420 nan 0.000 0.219 566 P C 0.646 177.778 177.300 -0.280 0.000 1.153 566 P CA 1.959 64.859 63.100 -0.332 0.000 0.865 566 P CB 0.325 31.823 31.700 -0.338 0.000 0.788 567 D N -1.190 118.940 120.400 -0.449 0.000 2.084 567 D HA -0.142 4.497 4.640 -0.000 0.000 0.194 567 D C 1.956 178.272 176.300 0.027 0.000 0.990 567 D CA 1.609 55.547 54.000 -0.102 0.000 0.826 567 D CB -1.047 39.819 40.800 0.109 0.000 0.971 567 D HN 0.099 nan 8.370 nan 0.000 0.453 568 V N 0.330 120.307 119.914 0.104 0.000 2.407 568 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 568 V C 2.252 178.513 176.094 0.277 0.000 1.055 568 V CA 1.530 63.961 62.300 0.218 0.000 1.049 568 V CB -1.023 30.939 31.823 0.231 0.000 0.662 568 V HN 0.280 nan 8.190 nan 0.000 0.455 569 I N 2.569 123.223 120.570 0.140 0.000 2.493 569 I HA -0.127 4.042 4.170 -0.000 0.000 0.254 569 I C 2.286 178.485 176.117 0.137 0.000 1.160 569 I CA 2.436 63.824 61.300 0.145 0.000 1.445 569 I CB -0.843 37.201 38.000 0.073 0.000 1.086 569 I HN 0.557 nan 8.210 nan 0.000 0.433 570 T N -2.395 112.203 114.554 0.073 0.000 3.010 570 T HA 0.068 4.417 4.350 -0.000 0.000 0.252 570 T C 1.759 176.478 174.700 0.032 0.000 1.047 570 T CA 0.441 62.567 62.100 0.043 0.000 1.140 570 T CB -0.501 68.367 68.868 -0.000 0.000 0.885 570 T HN 0.342 nan 8.240 nan 0.000 0.464 571 K N 0.234 120.638 120.400 0.006 0.000 2.515 571 K HA 0.092 4.412 4.320 -0.000 0.000 0.196 571 K C 0.268 176.719 176.600 -0.248 0.000 1.038 571 K CA 0.713 56.928 56.287 -0.120 0.000 0.967 571 K CB -0.207 32.191 32.500 -0.169 0.000 0.780 571 K HN 0.445 nan 8.250 nan 0.000 0.483 572 F N 1.195 121.146 119.950 0.002 0.000 2.708 572 F HA 0.126 4.653 4.527 -0.000 0.000 0.300 572 F C -0.344 175.455 175.800 -0.002 0.000 1.118 572 F CA -0.414 57.585 58.000 -0.001 0.000 1.307 572 F CB 0.209 39.209 39.000 0.001 0.000 0.986 572 F HN -0.029 nan 8.300 nan 0.000 0.522 573 E N 1.207 121.472 120.200 0.109 0.000 2.199 573 E HA -0.231 4.119 4.350 -0.000 0.000 0.208 573 E C -0.603 176.055 176.600 0.096 0.000 1.310 573 E CA 0.178 56.622 56.400 0.073 0.000 0.709 573 E CB -1.529 28.195 29.700 0.041 0.000 1.127 573 E HN 0.454 nan 8.360 nan 0.000 0.354 574 L N -0.843 120.458 121.223 0.131 0.000 2.313 574 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 574 L C 1.517 178.483 176.870 0.160 0.000 1.010 574 L CA -0.707 54.239 54.840 0.178 0.000 0.814 574 L CB 1.631 43.846 42.059 0.259 0.000 1.304 574 L HN 0.005 nan 8.230 nan 0.000 0.441 575 T N -0.601 114.081 114.554 0.213 0.000 3.246 575 T HA 0.191 4.541 4.350 -0.000 0.000 0.231 575 T C 0.617 175.305 174.700 -0.020 0.000 0.986 575 T CA 0.032 62.184 62.100 0.087 0.000 1.340 575 T CB -0.064 68.853 68.868 0.082 0.000 1.063 575 T HN 0.192 nan 8.240 nan 0.000 0.427 576 M N 2.461 121.945 119.600 -0.193 0.000 2.184 576 M HA 0.228 4.708 4.480 -0.000 0.000 0.296 576 M C -2.023 174.073 176.300 -0.340 0.000 1.165 576 M CA -2.129 52.930 55.300 -0.402 0.000 1.175 576 M CB -0.339 31.812 32.600 -0.749 0.000 1.392 576 M HN 0.098 nan 8.290 nan 0.000 0.457 577 P HA 0.232 nan 4.420 nan 0.000 0.277 577 P C -1.112 176.133 177.300 -0.092 0.000 1.276 577 P CA -0.484 62.530 63.100 -0.143 0.000 0.788 577 P CB 0.924 32.548 31.700 -0.126 0.000 1.114 578 C N -0.693 118.625 119.300 0.031 0.000 3.090 578 C HA 0.481 4.941 4.460 -0.000 0.000 0.347 578 C C -0.784 174.322 174.990 0.193 0.000 1.147 578 C CA -0.037 59.067 59.018 0.145 0.000 1.305 578 C CB 1.092 28.947 27.740 0.191 0.000 1.692 578 C HN 0.581 nan 8.230 nan 0.000 0.506 579 S N 2.689 118.558 115.700 0.282 0.000 2.473 579 S HA 0.770 5.240 4.470 -0.000 0.000 0.307 579 S C -0.277 174.518 174.600 0.325 0.000 1.094 579 S CA -0.383 58.024 58.200 0.346 0.000 1.070 579 S CB 1.674 65.080 63.200 0.344 0.000 1.019 579 S HN 1.036 nan 8.310 nan 0.000 0.480 580 S N 2.574 118.475 115.700 0.336 0.000 2.798 580 S HA 0.920 5.390 4.470 -0.000 0.000 0.312 580 S C -1.201 173.563 174.600 0.275 0.000 1.122 580 S CA -0.721 57.644 58.200 0.276 0.000 0.949 580 S CB 1.393 64.715 63.200 0.204 0.000 1.235 580 S HN 0.789 nan 8.310 nan 0.000 0.552 581 L N 0.200 121.543 121.223 0.200 0.000 2.735 581 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 581 L C -1.672 175.246 176.870 0.080 0.000 0.920 581 L CA -0.001 54.913 54.840 0.123 0.000 0.958 581 L CB 1.573 43.658 42.059 0.043 0.000 1.499 581 L HN 1.021 nan 8.230 nan 0.000 0.441 582 E N 5.504 125.732 120.200 0.046 0.000 2.448 582 E HA 0.513 4.863 4.350 -0.000 0.000 0.288 582 E C -1.594 174.972 176.600 -0.056 0.000 0.936 582 E CA -0.499 55.897 56.400 -0.006 0.000 0.809 582 E CB 1.123 30.808 29.700 -0.026 0.000 1.408 582 E HN 0.725 nan 8.360 nan 0.000 0.393 583 I N 1.052 121.610 120.570 -0.021 0.000 2.562 583 I HA 0.577 4.747 4.170 -0.000 0.000 0.301 583 I C -0.391 175.820 176.117 0.155 0.000 1.003 583 I CA -1.142 60.174 61.300 0.027 0.000 1.127 583 I CB 1.722 39.724 38.000 0.003 0.000 1.304 583 I HN 0.291 nan 8.210 nan 0.000 0.446 584 N N 5.568 124.420 118.700 0.254 0.000 2.415 584 N HA 0.231 4.971 4.740 -0.000 0.000 0.246 584 N C 0.737 176.454 175.510 0.344 0.000 1.078 584 N CA -0.623 52.688 53.050 0.435 0.000 0.942 584 N CB 0.616 39.354 38.487 0.419 0.000 1.140 584 N HN 0.810 nan 8.380 nan 0.000 0.501 585 I N 1.030 121.754 120.570 0.257 0.000 3.334 585 I HA 0.179 4.349 4.170 -0.000 0.000 0.282 585 I C 1.545 177.823 176.117 0.268 0.000 1.313 585 I CA 0.252 61.710 61.300 0.263 0.000 1.396 585 I CB -0.347 37.690 38.000 0.062 0.000 1.054 585 I HN 0.437 nan 8.210 nan 0.000 0.495 586 G N 2.801 111.707 108.800 0.178 0.000 2.514 586 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.217 586 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.217 586 G C -0.387 174.549 174.900 0.061 0.000 1.198 586 G CA 1.116 46.264 45.100 0.081 0.000 0.780 586 G HN 0.411 nan 8.290 nan 0.000 0.565 587 P HA -0.032 nan 4.420 nan 0.000 0.223 587 P C 0.968 178.120 177.300 -0.248 0.000 1.144 587 P CA 0.627 63.638 63.100 -0.148 0.000 0.783 587 P CB -0.140 31.406 31.700 -0.256 0.000 0.771 588 F N -1.784 118.162 119.950 -0.008 0.000 2.780 588 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 588 F C 1.548 177.334 175.800 -0.024 0.000 1.146 588 F CA 0.000 57.988 58.000 -0.020 0.000 1.428 588 F CB -0.552 38.425 39.000 -0.039 0.000 1.115 588 F HN -0.139 nan 8.300 nan 0.000 0.583 589 L N 0.000 121.285 121.223 0.103 0.000 2.949 589 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 589 L CA 0.000 54.875 54.840 0.058 0.000 0.813 589 L CB 0.000 42.077 42.059 0.029 0.000 0.961 589 L HN 0.000 nan 8.230 nan 0.000 0.502