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 3fu9_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTCNTPSNR ACWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.380 176.600 -0.367 0.000 1.382 1 E CA 0.000 56.343 56.400 -0.095 0.000 0.976 1 E CB 0.000 29.641 29.700 -0.098 0.000 0.812 2 P HA 0.290 nan 4.420 nan 0.000 0.282 2 P C -0.122 176.856 177.300 -0.537 0.000 1.259 2 P CA -0.345 62.082 63.100 -1.121 0.000 0.826 2 P CB 1.630 32.336 31.700 -1.657 0.000 1.064 3 T N -3.652 110.644 114.554 -0.430 0.000 3.016 3 T HA 0.132 4.482 4.350 -0.001 0.000 0.271 3 T C 0.975 175.574 174.700 -0.167 0.000 0.968 3 T CA 0.340 62.301 62.100 -0.232 0.000 0.891 3 T CB -0.895 67.876 68.868 -0.162 0.000 1.149 3 T HN 0.621 nan 8.240 nan 0.000 0.524 4 C N -0.338 118.855 119.300 -0.177 0.000 4.150 4 C HA 0.436 4.896 4.460 -0.001 0.000 0.330 4 C C 0.331 175.276 174.990 -0.076 0.000 1.905 4 C CA -1.188 57.773 59.018 -0.095 0.000 1.724 4 C CB -1.336 26.376 27.740 -0.046 0.000 3.096 4 C HN 0.455 nan 8.230 nan 0.000 0.601 5 N N 3.342 121.969 118.700 -0.121 0.000 2.416 5 N HA 0.358 5.097 4.740 -0.001 0.000 0.265 5 N C -0.337 175.124 175.510 -0.082 0.000 1.195 5 N CA 1.478 54.495 53.050 -0.055 0.000 0.943 5 N CB 0.926 39.400 38.487 -0.023 0.000 1.115 5 N HN 0.801 nan 8.380 nan 0.000 0.481 6 T N 1.135 115.642 114.554 -0.078 0.000 2.883 6 T HA 0.367 4.717 4.350 -0.001 0.000 0.301 6 T C -2.204 172.424 174.700 -0.121 0.000 1.158 6 T CA -1.496 60.552 62.100 -0.086 0.000 1.007 6 T CB 1.905 70.733 68.868 -0.067 0.000 1.186 6 T HN 0.061 nan 8.240 nan 0.000 0.499 7 P HA -0.153 nan 4.420 nan 0.000 0.218 7 P C 1.576 178.807 177.300 -0.116 0.000 1.152 7 P CA 1.314 64.337 63.100 -0.128 0.000 0.857 7 P CB 0.094 31.751 31.700 -0.072 0.000 0.787 8 S N -2.447 113.206 115.700 -0.079 0.000 2.501 8 S HA 0.012 4.482 4.470 -0.001 0.000 0.220 8 S C 0.729 175.297 174.600 -0.054 0.000 0.997 8 S CA 0.008 58.174 58.200 -0.057 0.000 0.919 8 S CB -0.639 62.539 63.200 -0.037 0.000 0.778 8 S HN 0.010 nan 8.310 nan 0.000 0.523 9 N N 0.800 119.461 118.700 -0.065 0.000 2.609 9 N HA 0.322 5.062 4.740 -0.001 0.000 0.268 9 N C 0.053 175.530 175.510 -0.056 0.000 1.106 9 N CA -0.415 52.609 53.050 -0.043 0.000 0.823 9 N CB 0.664 39.140 38.487 -0.018 0.000 1.263 9 N HN -0.070 nan 8.380 nan 0.000 0.533 10 R N 1.596 122.046 120.500 -0.084 0.000 2.280 10 R HA 0.275 4.614 4.340 -0.001 0.000 0.195 10 R C 1.296 177.612 176.300 0.025 0.000 0.935 10 R CA 0.527 56.571 56.100 -0.094 0.000 1.033 10 R CB -0.233 29.897 30.300 -0.283 0.000 0.964 10 R HN 0.561 nan 8.270 nan 0.000 0.489 11 A N 0.621 123.467 122.820 0.043 0.000 1.929 11 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 11 A C 1.061 178.724 177.584 0.131 0.000 1.176 11 A CA 0.492 52.579 52.037 0.083 0.000 0.628 11 A CB -0.235 18.809 19.000 0.074 0.000 0.816 11 A HN 0.283 nan 8.150 nan 0.000 0.444 12 C N -2.074 117.302 119.300 0.127 0.000 2.595 12 C HA 0.301 4.760 4.460 -0.001 0.000 0.384 12 C C 1.230 176.390 174.990 0.283 0.000 1.289 12 C CA -0.545 58.575 59.018 0.170 0.000 2.372 12 C CB 0.019 27.816 27.740 0.095 0.000 2.593 12 C HN 0.732 nan 8.230 nan 0.000 0.639 13 W N 0.275 121.631 121.300 0.095 0.000 4.705 13 W HA 0.162 4.822 4.660 -0.000 0.000 0.194 13 W C 0.490 177.055 176.519 0.077 0.000 0.966 13 W CA 0.637 58.037 57.345 0.091 0.000 2.145 13 W CB -0.488 29.076 29.460 0.173 0.000 0.852 13 W HN 0.762 nan 8.180 nan 0.000 0.946 14 S N 0.256 116.069 115.700 0.188 0.000 2.841 14 S HA 0.321 4.791 4.470 -0.001 0.000 0.318 14 S C -1.255 173.427 174.600 0.137 0.000 1.127 14 S CA -0.595 57.636 58.200 0.052 0.000 0.883 14 S CB 1.939 65.184 63.200 0.074 0.000 1.271 14 S HN 0.037 nan 8.310 nan 0.000 0.567 15 D N 0.279 120.734 120.400 0.090 0.000 2.434 15 D HA 0.434 5.073 4.640 -0.001 0.000 0.252 15 D C 1.364 177.714 176.300 0.082 0.000 1.185 15 D CA 1.887 55.933 54.000 0.076 0.000 0.886 15 D CB -0.084 40.737 40.800 0.035 0.000 1.148 15 D HN 1.058 nan 8.370 nan 0.000 0.483 16 G N 2.709 111.503 108.800 -0.010 0.000 2.162 16 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.260 16 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.260 16 G C -0.011 174.684 174.900 -0.342 0.000 0.976 16 G CA -0.162 44.819 45.100 -0.197 0.000 0.655 16 G HN 0.431 nan 8.290 nan 0.000 0.533 17 F N 1.110 121.132 119.950 0.120 0.000 2.562 17 F HA 0.582 5.109 4.527 -0.001 0.000 0.319 17 F C 0.102 176.109 175.800 0.344 0.000 1.154 17 F CA -0.386 57.742 58.000 0.213 0.000 0.931 17 F CB 2.154 41.189 39.000 0.058 0.000 1.198 17 F HN 0.364 nan 8.300 nan 0.000 0.444 18 D N 1.146 121.881 120.400 0.558 0.000 2.946 18 D HA 0.224 4.864 4.640 -0.001 0.000 0.337 18 D C 0.217 176.709 176.300 0.320 0.000 1.332 18 D CA -0.663 53.577 54.000 0.400 0.000 0.935 18 D CB 0.532 41.482 40.800 0.249 0.000 1.440 18 D HN 0.201 nan 8.370 nan 0.000 0.540 19 I N -0.036 120.661 120.570 0.211 0.000 2.756 19 I HA 0.027 4.197 4.170 -0.001 0.000 0.262 19 I C 0.631 176.877 176.117 0.216 0.000 1.225 19 I CA 1.097 62.509 61.300 0.187 0.000 1.472 19 I CB -0.598 37.487 38.000 0.142 0.000 1.094 19 I HN 0.319 nan 8.210 nan 0.000 0.454 20 N N -0.531 118.290 118.700 0.202 0.000 2.325 20 N HA 0.083 4.823 4.740 -0.001 0.000 0.182 20 N C 0.237 175.860 175.510 0.188 0.000 1.088 20 N CA 0.222 53.373 53.050 0.167 0.000 0.879 20 N CB 0.085 38.645 38.487 0.121 0.000 0.983 20 N HN 0.239 nan 8.380 nan 0.000 0.471 21 T N 1.672 116.391 114.554 0.275 0.000 2.888 21 T HA -0.042 4.307 4.350 -0.001 0.000 0.301 21 T C 0.141 175.022 174.700 0.302 0.000 1.001 21 T CA -0.051 62.236 62.100 0.313 0.000 1.147 21 T CB 1.005 70.187 68.868 0.524 0.000 0.931 21 T HN -0.000 nan 8.240 nan 0.000 0.541 22 D N 2.928 123.429 120.400 0.169 0.000 2.398 22 D HA -0.016 4.624 4.640 -0.001 0.000 0.250 22 D C 1.083 177.417 176.300 0.058 0.000 1.287 22 D CA -0.529 53.481 54.000 0.018 0.000 0.992 22 D CB 0.076 40.860 40.800 -0.027 0.000 1.071 22 D HN 0.688 nan 8.370 nan 0.000 0.514 23 Y N 1.664 122.115 120.300 0.252 0.000 2.483 23 Y HA 0.007 4.556 4.550 -0.001 0.000 0.291 23 Y C 1.480 177.539 175.900 0.265 0.000 1.143 23 Y CA 0.568 58.883 58.100 0.359 0.000 1.289 23 Y CB -0.397 38.087 38.460 0.040 0.000 0.983 23 Y HN 0.301 nan 8.280 nan 0.000 0.556 24 E N 0.474 120.562 120.200 -0.187 0.000 2.442 24 E HA 0.000 4.350 4.350 -0.001 0.000 0.195 24 E C 1.556 178.169 176.600 0.022 0.000 1.030 24 E CA 0.984 57.357 56.400 -0.046 0.000 0.869 24 E CB 0.288 29.863 29.700 -0.208 0.000 0.857 24 E HN 0.583 nan 8.360 nan 0.000 0.505 25 V N -3.495 116.445 119.914 0.044 0.000 3.502 25 V HA 0.295 4.414 4.120 -0.001 0.000 0.288 25 V C 0.340 176.512 176.094 0.131 0.000 1.461 25 V CA -0.430 61.910 62.300 0.066 0.000 1.029 25 V CB 1.318 33.153 31.823 0.019 0.000 0.843 25 V HN -0.053 nan 8.190 nan 0.000 0.438 26 S N 0.576 116.417 115.700 0.236 0.000 2.677 26 S HA 0.731 5.201 4.470 -0.001 0.000 0.283 26 S C -0.452 174.463 174.600 0.526 0.000 1.159 26 S CA -0.049 58.340 58.200 0.315 0.000 1.001 26 S CB 1.723 65.080 63.200 0.261 0.000 1.032 26 S HN 0.587 nan 8.310 nan 0.000 0.487 27 T N 5.369 120.151 114.554 0.380 0.000 2.887 27 T HA 0.609 4.958 4.350 -0.001 0.000 0.288 27 T C -2.934 171.559 174.700 -0.345 0.000 1.021 27 T CA -1.526 60.609 62.100 0.058 0.000 1.000 27 T CB 1.620 70.522 68.868 0.058 0.000 1.034 27 T HN 0.330 nan 8.240 nan 0.000 0.467 28 P HA 0.232 nan 4.420 nan 0.000 0.268 28 P C -0.789 176.263 177.300 -0.414 0.000 1.205 28 P CA -0.239 62.174 63.100 -1.145 0.000 0.771 28 P CB 0.350 31.199 31.700 -1.419 0.000 0.858 29 D N 1.349 121.628 120.400 -0.202 0.000 2.456 29 D HA 0.108 4.748 4.640 -0.001 0.000 0.219 29 D C 1.078 177.320 176.300 -0.097 0.000 1.126 29 D CA -0.067 53.872 54.000 -0.102 0.000 0.890 29 D CB 0.159 40.941 40.800 -0.029 0.000 1.025 29 D HN 0.265 nan 8.370 nan 0.000 0.511 30 T N 0.150 114.641 114.554 -0.104 0.000 3.044 30 T HA 0.209 4.558 4.350 -0.001 0.000 0.255 30 T C 1.678 176.345 174.700 -0.056 0.000 1.073 30 T CA 0.650 62.704 62.100 -0.076 0.000 1.125 30 T CB 0.001 68.832 68.868 -0.063 0.000 0.908 30 T HN 0.460 nan 8.240 nan 0.000 0.480 31 G N 0.795 109.562 108.800 -0.056 0.000 2.168 31 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.263 31 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.263 31 G C 0.056 174.923 174.900 -0.055 0.000 0.977 31 G CA 0.198 45.267 45.100 -0.050 0.000 0.659 31 G HN 0.794 nan 8.290 nan 0.000 0.533 32 V N 1.040 120.919 119.914 -0.058 0.000 2.427 32 V HA 0.684 4.804 4.120 -0.001 0.000 0.286 32 V C 0.419 176.464 176.094 -0.081 0.000 1.034 32 V CA -0.044 62.220 62.300 -0.060 0.000 0.893 32 V CB 1.819 33.616 31.823 -0.043 0.000 0.982 32 V HN 0.268 nan 8.190 nan 0.000 0.452 33 T N 4.751 119.246 114.554 -0.097 0.000 2.792 33 T HA 0.376 4.726 4.350 -0.001 0.000 0.280 33 T C -0.495 174.119 174.700 -0.143 0.000 0.990 33 T CA -0.564 61.455 62.100 -0.135 0.000 0.960 33 T CB 1.254 70.035 68.868 -0.145 0.000 0.939 33 T HN 0.565 nan 8.240 nan 0.000 0.439 34 Q N 2.154 121.862 119.800 -0.154 0.000 2.322 34 Q HA 0.424 4.764 4.340 -0.001 0.000 0.256 34 Q C -0.294 175.573 176.000 -0.221 0.000 0.960 34 Q CA -0.234 55.473 55.803 -0.159 0.000 0.934 34 Q CB 1.616 30.356 28.738 0.002 0.000 1.200 34 Q HN 0.526 nan 8.270 nan 0.000 0.435 35 S N 2.185 117.673 115.700 -0.354 0.000 2.617 35 S HA 0.706 5.176 4.470 -0.001 0.000 0.283 35 S C -1.018 173.230 174.600 -0.587 0.000 1.189 35 S CA -0.313 57.686 58.200 -0.335 0.000 1.036 35 S CB 0.611 63.669 63.200 -0.237 0.000 1.014 35 S HN 0.398 nan 8.310 nan 0.000 0.522 36 Y N -0.336 119.850 120.300 -0.189 0.000 2.558 36 Y HA 0.462 5.012 4.550 -0.000 0.000 0.333 36 Y C -0.788 174.991 175.900 -0.202 0.000 1.125 36 Y CA -0.942 57.057 58.100 -0.169 0.000 1.039 36 Y CB 1.449 39.749 38.460 -0.266 0.000 1.331 36 Y HN 0.332 nan 8.280 nan 0.000 0.456 37 V N 3.005 122.963 119.914 0.073 0.000 2.680 37 V HA 0.500 4.620 4.120 -0.001 0.000 0.309 37 V C -1.237 175.070 176.094 0.355 0.000 1.052 37 V CA -0.920 61.432 62.300 0.087 0.000 0.908 37 V CB 1.865 33.752 31.823 0.108 0.000 1.001 37 V HN 0.456 nan 8.190 nan 0.000 0.431 38 F N 3.173 123.202 119.950 0.132 0.000 2.434 38 F HA 0.479 5.005 4.527 -0.001 0.000 0.355 38 F C 0.157 176.012 175.800 0.092 0.000 1.115 38 F CA -1.583 56.489 58.000 0.120 0.000 1.010 38 F CB 1.327 40.401 39.000 0.124 0.000 1.234 38 F HN 0.483 nan 8.300 nan 0.000 0.439 39 N N 5.172 124.028 118.700 0.259 0.000 2.444 39 N HA 0.446 5.185 4.740 -0.001 0.000 0.262 39 N C -1.322 174.249 175.510 0.102 0.000 0.974 39 N CA -0.224 52.916 53.050 0.149 0.000 0.933 39 N CB 0.793 39.352 38.487 0.120 0.000 1.137 39 N HN 0.510 nan 8.380 nan 0.000 0.498 40 L N 2.230 123.498 121.223 0.075 0.000 2.317 40 L HA 0.641 4.981 4.340 -0.001 0.000 0.281 40 L C 0.352 177.230 176.870 0.013 0.000 1.024 40 L CA -0.849 54.011 54.840 0.034 0.000 0.810 40 L CB 1.605 43.680 42.059 0.026 0.000 1.240 40 L HN 0.551 nan 8.230 nan 0.000 0.427 41 T N -1.669 112.882 114.554 -0.004 0.000 2.956 41 T HA 0.365 4.715 4.350 -0.001 0.000 0.312 41 T C -0.853 173.835 174.700 -0.021 0.000 1.151 41 T CA -0.875 61.222 62.100 -0.004 0.000 1.024 41 T CB 2.304 71.176 68.868 0.006 0.000 1.140 41 T HN 0.611 nan 8.240 nan 0.000 0.473 42 E N 1.489 121.686 120.200 -0.004 0.000 2.200 42 E HA 0.550 4.899 4.350 -0.001 0.000 0.283 42 E C -0.885 175.718 176.600 0.005 0.000 1.015 42 E CA -0.760 55.641 56.400 0.001 0.000 0.819 42 E CB 1.126 30.845 29.700 0.033 0.000 1.081 42 E HN 0.561 nan 8.360 nan 0.000 0.397 43 V N 4.539 124.442 119.914 -0.018 0.000 2.495 43 V HA 0.285 4.405 4.120 -0.001 0.000 0.298 43 V C -0.294 175.844 176.094 0.073 0.000 1.031 43 V CA -0.939 61.374 62.300 0.022 0.000 0.871 43 V CB 1.783 33.586 31.823 -0.034 0.000 0.988 43 V HN 0.653 nan 8.190 nan 0.000 0.432 44 D N 3.639 124.104 120.400 0.107 0.000 2.185 44 D HA 0.322 4.962 4.640 -0.001 0.000 0.247 44 D C 0.002 176.390 176.300 0.146 0.000 1.027 44 D CA -0.306 53.763 54.000 0.115 0.000 0.861 44 D CB 1.383 42.236 40.800 0.089 0.000 1.202 44 D HN 0.582 nan 8.370 nan 0.000 0.453 45 N N 1.004 119.791 118.700 0.145 0.000 2.725 45 N HA -0.231 4.509 4.740 -0.001 0.000 0.251 45 N C -0.859 174.764 175.510 0.188 0.000 1.031 45 N CA 0.384 53.514 53.050 0.134 0.000 0.720 45 N CB -1.467 37.071 38.487 0.084 0.000 0.930 45 N HN 0.538 nan 8.380 nan 0.000 0.543 46 W N 1.102 122.426 121.300 0.040 0.000 2.272 46 W HA 0.453 5.112 4.660 -0.001 0.000 0.318 46 W C 0.674 177.222 176.519 0.048 0.000 1.255 46 W CA -0.901 56.472 57.345 0.047 0.000 1.200 46 W CB 0.435 29.934 29.460 0.064 0.000 1.170 46 W HN 0.201 nan 8.180 nan 0.000 0.549 47 M N 7.467 126.749 119.600 -0.529 0.000 2.069 47 M HA 0.436 4.916 4.480 -0.001 0.000 0.349 47 M C 0.450 176.188 176.300 -0.938 0.000 1.194 47 M CA 0.028 55.020 55.300 -0.513 0.000 1.081 47 M CB 0.088 32.491 32.600 -0.329 0.000 1.500 47 M HN 0.537 nan 8.290 nan 0.000 0.438 48 G N 4.318 112.687 108.800 -0.718 0.000 2.621 48 G HA2 0.356 4.316 3.960 -0.001 0.000 0.271 48 G HA3 0.356 4.316 3.960 -0.001 0.000 0.271 48 G C -1.834 172.797 174.900 -0.447 0.000 1.236 48 G CA -1.098 43.542 45.100 -0.768 0.000 0.958 48 G HN 0.654 nan 8.290 nan 0.000 0.512 49 P HA -0.063 nan 4.420 nan 0.000 0.222 49 P C 0.556 177.727 177.300 -0.215 0.000 1.147 49 P CA 1.313 64.269 63.100 -0.239 0.000 0.790 49 P CB 0.216 31.788 31.700 -0.214 0.000 0.780 50 D N -1.767 118.510 120.400 -0.205 0.000 2.340 50 D HA 0.164 4.804 4.640 -0.001 0.000 0.217 50 D C 1.408 177.645 176.300 -0.104 0.000 1.081 50 D CA 0.273 54.192 54.000 -0.135 0.000 0.842 50 D CB -0.157 40.592 40.800 -0.085 0.000 0.934 50 D HN 0.252 nan 8.370 nan 0.000 0.511 51 G N -0.478 108.240 108.800 -0.136 0.000 2.436 51 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.204 51 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.204 51 G C 0.088 174.894 174.900 -0.157 0.000 1.026 51 G CA -0.090 44.929 45.100 -0.135 0.000 0.658 51 G HN 0.323 nan 8.290 nan 0.000 0.499 52 V N 2.444 122.259 119.914 -0.165 0.000 2.572 52 V HA 0.439 4.559 4.120 -0.001 0.000 0.291 52 V C 1.114 177.100 176.094 -0.180 0.000 1.039 52 V CA -0.326 61.817 62.300 -0.261 0.000 1.055 52 V CB 1.595 33.015 31.823 -0.671 0.000 0.969 52 V HN 0.344 nan 8.190 nan 0.000 0.482 53 V N 6.607 126.426 119.914 -0.159 0.000 2.455 53 V HA 0.184 4.304 4.120 -0.001 0.000 0.273 53 V C 0.553 176.643 176.094 -0.007 0.000 1.045 53 V CA -0.504 61.754 62.300 -0.071 0.000 0.976 53 V CB 0.705 32.496 31.823 -0.054 0.000 0.993 53 V HN 0.834 nan 8.190 nan 0.000 0.475 54 K N 3.812 124.292 120.400 0.133 0.000 2.144 54 K HA 0.256 4.576 4.320 -0.001 0.000 0.270 54 K C 1.096 177.788 176.600 0.154 0.000 1.005 54 K CA -0.450 55.945 56.287 0.180 0.000 0.932 54 K CB 1.654 34.331 32.500 0.295 0.000 1.021 54 K HN 0.706 nan 8.250 nan 0.000 0.462 55 E N 2.108 122.375 120.200 0.112 0.000 2.049 55 E HA -0.221 4.128 4.350 -0.001 0.000 0.198 55 E C -0.093 176.572 176.600 0.108 0.000 1.007 55 E CA 1.632 58.087 56.400 0.092 0.000 0.809 55 E CB 0.334 30.075 29.700 0.068 0.000 0.749 55 E HN 0.390 nan 8.360 nan 0.000 0.450 56 K N -0.501 119.965 120.400 0.111 0.000 2.542 56 K HA 0.303 4.622 4.320 -0.001 0.000 0.259 56 K C -1.484 175.155 176.600 0.064 0.000 0.932 56 K CA -0.602 55.740 56.287 0.092 0.000 0.820 56 K CB 2.150 34.695 32.500 0.076 0.000 1.345 56 K HN 0.030 nan 8.250 nan 0.000 0.432 57 V N 0.068 119.980 119.914 -0.003 0.000 2.914 57 V HA 0.668 4.788 4.120 -0.001 0.000 0.314 57 V C -0.676 175.340 176.094 -0.131 0.000 1.084 57 V CA -1.103 61.117 62.300 -0.132 0.000 0.963 57 V CB 1.845 33.389 31.823 -0.464 0.000 1.025 57 V HN 0.805 nan 8.190 nan 0.000 0.432 58 M N 4.018 123.544 119.600 -0.123 0.000 2.085 58 M HA 0.586 5.066 4.480 -0.001 0.000 0.309 58 M C -1.345 174.890 176.300 -0.108 0.000 0.947 58 M CA -0.142 55.111 55.300 -0.079 0.000 0.918 58 M CB 1.693 34.287 32.600 -0.009 0.000 1.504 58 M HN 0.490 nan 8.290 nan 0.000 0.420 59 L N 4.718 125.870 121.223 -0.119 0.000 2.362 59 L HA 0.625 4.965 4.340 -0.001 0.000 0.275 59 L C -0.778 176.050 176.870 -0.070 0.000 0.998 59 L CA -0.707 54.048 54.840 -0.142 0.000 0.820 59 L CB 2.303 44.230 42.059 -0.220 0.000 1.270 59 L HN 0.730 nan 8.230 nan 0.000 0.415 60 I N 4.635 125.164 120.570 -0.069 0.000 2.304 60 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 60 I C 0.238 176.346 176.117 -0.014 0.000 1.018 60 I CA -0.268 60.999 61.300 -0.054 0.000 1.260 60 I CB 0.661 38.558 38.000 -0.173 0.000 1.390 60 I HN 0.656 nan 8.210 nan 0.000 0.475 61 N N 4.965 123.688 118.700 0.039 0.000 2.708 61 N HA -0.214 4.526 4.740 -0.001 0.000 0.251 61 N C 0.930 176.470 175.510 0.050 0.000 1.123 61 N CA 1.404 54.493 53.050 0.066 0.000 0.739 61 N CB -1.265 37.282 38.487 0.099 0.000 1.113 61 N HN 1.121 nan 8.380 nan 0.000 0.561 62 G N -1.905 106.909 108.800 0.023 0.000 2.143 62 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.249 62 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.249 62 G C 0.003 174.936 174.900 0.055 0.000 0.981 62 G CA 0.460 45.577 45.100 0.029 0.000 0.665 62 G HN 0.559 nan 8.290 nan 0.000 0.528 63 N N -0.869 117.853 118.700 0.037 0.000 2.531 63 N HA 0.519 5.259 4.740 -0.001 0.000 0.290 63 N C 1.327 176.850 175.510 0.022 0.000 1.257 63 N CA -0.368 52.726 53.050 0.074 0.000 0.863 63 N CB 1.356 39.889 38.487 0.076 0.000 1.320 63 N HN -0.000 nan 8.380 nan 0.000 0.538 64 I N -0.202 120.424 120.570 0.093 0.000 2.315 64 I HA -0.073 4.097 4.170 -0.001 0.000 0.248 64 I C 0.199 176.326 176.117 0.017 0.000 1.117 64 I CA 1.339 62.684 61.300 0.075 0.000 1.404 64 I CB 0.267 38.411 38.000 0.240 0.000 1.071 64 I HN 0.436 nan 8.210 nan 0.000 0.419 65 M N -1.293 118.315 119.600 0.012 0.000 2.796 65 M HA 0.433 4.913 4.480 -0.001 0.000 0.303 65 M C 0.436 176.710 176.300 -0.043 0.000 1.240 65 M CA -0.518 54.765 55.300 -0.027 0.000 0.831 65 M CB 1.074 33.649 32.600 -0.042 0.000 1.750 65 M HN -0.064 nan 8.290 nan 0.000 0.484 66 G N -0.010 108.732 108.800 -0.096 0.000 2.570 66 G HA2 0.453 4.412 3.960 -0.001 0.000 0.276 66 G HA3 0.453 4.412 3.960 -0.001 0.000 0.276 66 G C -2.699 172.205 174.900 0.008 0.000 1.346 66 G CA -1.141 43.865 45.100 -0.156 0.000 1.034 66 G HN 0.382 nan 8.290 nan 0.000 0.512 67 P HA 0.025 nan 4.420 nan 0.000 0.264 67 P C -0.460 176.986 177.300 0.242 0.000 1.183 67 P CA 0.116 63.354 63.100 0.230 0.000 0.763 67 P CB 0.339 32.306 31.700 0.445 0.000 0.807 68 N N 3.814 122.628 118.700 0.190 0.000 2.415 68 N HA 0.159 4.898 4.740 -0.001 0.000 0.246 68 N C 0.196 175.772 175.510 0.110 0.000 1.078 68 N CA -0.176 52.973 53.050 0.165 0.000 0.942 68 N CB 0.512 39.074 38.487 0.124 0.000 1.140 68 N HN 0.350 nan 8.380 nan 0.000 0.501 69 I N 1.730 122.308 120.570 0.014 0.000 2.575 69 I HA 0.133 4.303 4.170 -0.001 0.000 0.285 69 I C 0.168 176.328 176.117 0.071 0.000 1.085 69 I CA -0.304 60.871 61.300 -0.208 0.000 1.403 69 I CB 0.755 38.572 38.000 -0.305 0.000 1.409 69 I HN 0.036 nan 8.210 nan 0.000 0.557 70 V N 5.031 125.039 119.914 0.157 0.000 2.711 70 V HA 0.784 4.904 4.120 -0.001 0.000 0.304 70 V C -0.241 175.956 176.094 0.172 0.000 1.097 70 V CA -0.462 61.934 62.300 0.161 0.000 0.906 70 V CB 1.442 33.362 31.823 0.162 0.000 1.015 70 V HN 0.928 nan 8.190 nan 0.000 0.427 71 A N 4.092 126.993 122.820 0.134 0.000 2.552 71 A HA 0.886 5.206 4.320 -0.001 0.000 0.288 71 A C -1.030 176.641 177.584 0.146 0.000 1.193 71 A CA -0.817 51.288 52.037 0.112 0.000 0.713 71 A CB 1.728 20.756 19.000 0.047 0.000 1.305 71 A HN 0.661 nan 8.150 nan 0.000 0.424 72 N N -0.481 118.319 118.700 0.167 0.000 2.472 72 N HA 0.265 5.005 4.740 -0.001 0.000 0.289 72 N C -0.963 174.690 175.510 0.240 0.000 1.156 72 N CA -0.252 52.957 53.050 0.264 0.000 0.940 72 N CB 0.984 39.698 38.487 0.379 0.000 1.200 72 N HN 0.712 nan 8.380 nan 0.000 0.511 73 W N 1.270 122.540 121.300 -0.050 0.000 2.385 73 W HA 0.207 4.866 4.660 -0.000 0.000 0.336 73 W C 1.170 177.650 176.519 -0.064 0.000 1.351 73 W CA 1.097 58.376 57.345 -0.110 0.000 1.295 73 W CB -0.733 28.495 29.460 -0.386 0.000 1.239 73 W HN 0.846 nan 8.180 nan 0.000 0.565 74 G N 3.255 112.050 108.800 -0.008 0.000 2.279 74 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.223 74 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.223 74 G C 0.336 175.201 174.900 -0.058 0.000 1.015 74 G CA 0.073 45.060 45.100 -0.188 0.000 0.621 74 G HN 0.539 nan 8.290 nan 0.000 0.506 75 D N 0.893 121.293 120.400 0.001 0.000 2.380 75 D HA 0.555 5.194 4.640 -0.001 0.000 0.254 75 D C 0.749 177.008 176.300 -0.067 0.000 1.288 75 D CA 0.801 54.781 54.000 -0.034 0.000 1.008 75 D CB 0.337 41.123 40.800 -0.024 0.000 1.099 75 D HN 0.169 nan 8.370 nan 0.000 0.537 76 T N -0.295 114.176 114.554 -0.139 0.000 2.918 76 T HA 0.571 4.920 4.350 -0.001 0.000 0.286 76 T C -0.560 173.899 174.700 -0.402 0.000 1.026 76 T CA -0.670 61.283 62.100 -0.245 0.000 1.031 76 T CB 1.478 70.218 68.868 -0.212 0.000 1.046 76 T HN -0.004 nan 8.240 nan 0.000 0.479 77 V N 2.145 121.595 119.914 -0.774 0.000 2.531 77 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 77 V C -0.317 175.191 176.094 -0.977 0.000 1.034 77 V CA -0.800 60.930 62.300 -0.951 0.000 0.865 77 V CB 1.696 32.589 31.823 -1.550 0.000 0.995 77 V HN 0.882 nan 8.190 nan 0.000 0.424 78 E N 3.033 122.896 120.200 -0.561 0.000 2.238 78 E HA 0.800 5.150 4.350 -0.001 0.000 0.267 78 E C -1.816 174.596 176.600 -0.314 0.000 0.887 78 E CA -0.498 55.652 56.400 -0.416 0.000 0.769 78 E CB 2.328 31.872 29.700 -0.259 0.000 1.187 78 E HN 0.461 nan 8.360 nan 0.000 0.416 79 V N 3.144 122.919 119.914 -0.233 0.000 2.668 79 V HA 0.291 4.411 4.120 -0.001 0.000 0.304 79 V C -0.646 175.430 176.094 -0.030 0.000 1.071 79 V CA -0.721 61.436 62.300 -0.238 0.000 0.894 79 V CB 2.242 33.762 31.823 -0.504 0.000 1.008 79 V HN 0.761 nan 8.190 nan 0.000 0.425 80 T N 4.756 119.280 114.554 -0.050 0.000 2.733 80 T HA 0.464 4.814 4.350 -0.001 0.000 0.294 80 T C -0.283 174.460 174.700 0.072 0.000 0.956 80 T CA -0.116 62.005 62.100 0.036 0.000 0.987 80 T CB 0.841 69.717 68.868 0.014 0.000 0.920 80 T HN 0.377 nan 8.240 nan 0.000 0.470 81 V N 6.758 126.772 119.914 0.165 0.000 2.350 81 V HA 0.477 4.597 4.120 -0.001 0.000 0.276 81 V C -0.036 176.146 176.094 0.147 0.000 1.028 81 V CA -0.714 61.719 62.300 0.222 0.000 0.860 81 V CB 0.813 32.852 31.823 0.359 0.000 0.990 81 V HN 0.757 nan 8.190 nan 0.000 0.453 82 I N 4.378 125.028 120.570 0.133 0.000 2.389 82 I HA 0.386 4.555 4.170 -0.001 0.000 0.288 82 I C 0.012 176.170 176.117 0.068 0.000 0.999 82 I CA -0.332 61.015 61.300 0.079 0.000 1.129 82 I CB 1.637 39.682 38.000 0.074 0.000 1.288 82 I HN 0.463 nan 8.210 nan 0.000 0.444 83 N N 5.824 124.536 118.700 0.021 0.000 2.645 83 N HA 0.195 4.934 4.740 -0.001 0.000 0.233 83 N C -0.373 175.119 175.510 -0.030 0.000 1.058 83 N CA -0.108 52.931 53.050 -0.017 0.000 0.942 83 N CB 0.282 38.721 38.487 -0.079 0.000 1.210 83 N HN 0.414 nan 8.380 nan 0.000 0.512 84 N N 3.451 122.146 118.700 -0.008 0.000 2.376 84 N HA 0.140 4.880 4.740 -0.001 0.000 0.249 84 N C -0.180 175.321 175.510 -0.014 0.000 1.140 84 N CA -0.098 52.946 53.050 -0.009 0.000 0.870 84 N CB 0.521 39.015 38.487 0.012 0.000 1.124 84 N HN 0.473 nan 8.380 nan 0.000 0.505 85 L N 0.019 121.221 121.223 -0.034 0.000 2.464 85 L HA 0.125 4.465 4.340 -0.001 0.000 0.264 85 L C 1.907 178.763 176.870 -0.023 0.000 1.199 85 L CA -0.384 54.439 54.840 -0.029 0.000 0.818 85 L CB 0.801 42.829 42.059 -0.051 0.000 1.102 85 L HN -0.120 nan 8.230 nan 0.000 0.473 86 V N 0.355 120.279 119.914 0.017 0.000 2.239 86 V HA -0.194 3.925 4.120 -0.001 0.000 0.242 86 V C 2.043 178.161 176.094 0.041 0.000 1.038 86 V CA 2.415 64.735 62.300 0.035 0.000 1.002 86 V CB -0.664 31.195 31.823 0.062 0.000 0.641 86 V HN 1.077 nan 8.190 nan 0.000 0.449 87 T N -3.827 110.783 114.554 0.093 0.000 2.990 87 T HA 0.173 4.523 4.350 -0.001 0.000 0.250 87 T C 0.632 175.442 174.700 0.183 0.000 1.041 87 T CA -0.068 62.140 62.100 0.180 0.000 1.010 87 T CB -0.286 68.726 68.868 0.239 0.000 1.003 87 T HN 0.391 nan 8.240 nan 0.000 0.499 88 N N 1.023 119.734 118.700 0.019 0.000 2.473 88 N HA 0.527 5.266 4.740 -0.001 0.000 0.291 88 N C 0.138 175.327 175.510 -0.535 0.000 1.083 88 N CA -0.745 52.205 53.050 -0.166 0.000 0.951 88 N CB 1.415 39.810 38.487 -0.154 0.000 1.164 88 N HN 0.406 nan 8.380 nan 0.000 0.480 89 G N 0.044 108.132 108.800 -1.186 0.000 2.606 89 G HA2 0.302 4.262 3.960 -0.001 0.000 0.252 89 G HA3 0.302 4.262 3.960 -0.001 0.000 0.252 89 G C -0.167 173.828 174.900 -1.509 0.000 1.206 89 G CA 0.181 44.455 45.100 -1.377 0.000 0.861 89 G HN 0.403 nan 8.290 nan 0.000 0.561 90 T N -2.164 111.904 114.554 -0.809 0.000 2.654 90 T HA 0.689 5.038 4.350 -0.001 0.000 0.289 90 T C -0.997 173.578 174.700 -0.209 0.000 1.062 90 T CA 0.318 62.170 62.100 -0.412 0.000 1.041 90 T CB 1.481 70.232 68.868 -0.194 0.000 1.417 90 T HN 1.889 nan 8.240 nan 0.000 0.510 91 S N 1.570 117.256 115.700 -0.023 0.000 2.585 91 S HA 0.236 4.705 4.470 -0.001 0.000 0.335 91 S C -1.635 172.996 174.600 0.053 0.000 0.747 91 S CA -0.899 57.349 58.200 0.080 0.000 0.747 91 S CB -0.496 62.730 63.200 0.043 0.000 1.052 91 S HN 0.658 nan 8.310 nan 0.000 0.522 92 I N 5.061 125.600 120.570 -0.052 0.000 2.337 92 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 92 I C 0.607 176.158 176.117 -0.945 0.000 1.046 92 I CA 0.001 60.975 61.300 -0.543 0.000 1.324 92 I CB 0.349 37.842 38.000 -0.845 0.000 1.409 92 I HN 0.928 nan 8.210 nan 0.000 0.494 93 H N 6.610 125.157 119.070 -0.871 0.000 2.467 93 H HA 0.359 4.915 4.556 -0.000 0.000 0.326 93 H C -1.467 173.233 175.328 -1.046 0.000 1.094 93 H CA -0.548 55.022 56.048 -0.798 0.000 1.253 93 H CB 0.765 30.314 29.762 -0.355 0.000 1.439 93 H HN 0.389 nan 8.280 nan 0.000 0.479 94 W N 5.361 126.019 121.300 -1.070 0.000 2.316 94 W HA 0.198 4.858 4.660 -0.000 0.000 0.339 94 W C -0.097 175.750 176.519 -1.121 0.000 1.002 94 W CA -0.854 55.959 57.345 -0.886 0.000 1.465 94 W CB -0.075 28.828 29.460 -0.928 0.000 1.300 94 W HN 0.675 nan 8.180 nan 0.000 0.378 95 H N 2.118 120.618 119.070 -0.949 0.000 2.955 95 H HA 0.381 4.937 4.556 -0.001 0.000 0.290 95 H C 1.324 176.417 175.328 -0.392 0.000 1.047 95 H CA 1.162 56.801 56.048 -0.681 0.000 1.484 95 H CB 0.357 29.588 29.762 -0.885 0.000 1.501 95 H HN 0.805 nan 8.280 nan 0.000 0.521 96 G N 4.701 113.416 108.800 -0.141 0.000 2.253 96 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.209 96 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.209 96 G C -0.229 174.391 174.900 -0.465 0.000 0.997 96 G CA -0.060 44.917 45.100 -0.205 0.000 0.640 96 G HN 0.522 nan 8.290 nan 0.000 0.496 97 I N 3.185 123.472 120.570 -0.472 0.000 2.308 97 I HA 0.332 4.502 4.170 -0.001 0.000 0.293 97 I C 1.484 177.329 176.117 -0.452 0.000 1.078 97 I CA -0.904 60.059 61.300 -0.561 0.000 1.292 97 I CB 0.363 37.859 38.000 -0.840 0.000 1.423 97 I HN 0.096 nan 8.210 nan 0.000 0.493 98 H N 5.365 124.270 119.070 -0.275 0.000 2.489 98 H HA -0.076 4.479 4.556 -0.001 0.000 0.295 98 H C 0.394 175.529 175.328 -0.322 0.000 1.082 98 H CA 0.570 56.419 56.048 -0.331 0.000 1.295 98 H CB 0.268 29.876 29.762 -0.256 0.000 1.380 98 H HN 0.451 nan 8.280 nan 0.000 0.548 99 Q N 0.281 120.051 119.800 -0.049 0.000 2.416 99 Q HA -0.213 4.127 4.340 -0.001 0.000 0.319 99 Q C 0.131 176.239 176.000 0.180 0.000 1.318 99 Q CA 0.474 56.356 55.803 0.132 0.000 0.915 99 Q CB -1.747 27.187 28.738 0.327 0.000 1.184 99 Q HN 0.330 nan 8.270 nan 0.000 0.444 100 K N 2.341 122.808 120.400 0.112 0.000 2.320 100 K HA -0.087 4.233 4.320 -0.001 0.000 0.269 100 K C -0.028 176.666 176.600 0.157 0.000 1.182 100 K CA 0.744 57.096 56.287 0.107 0.000 1.190 100 K CB -0.104 32.454 32.500 0.097 0.000 0.850 100 K HN 0.242 nan 8.250 nan 0.000 0.467 101 D N 2.498 123.013 120.400 0.192 0.000 2.870 101 D HA -0.168 4.472 4.640 -0.001 0.000 0.228 101 D C -0.490 175.923 176.300 0.188 0.000 1.147 101 D CA 1.694 55.798 54.000 0.173 0.000 0.757 101 D CB -1.283 39.591 40.800 0.123 0.000 1.091 101 D HN 0.736 nan 8.370 nan 0.000 0.429 102 T N -3.794 110.913 114.554 0.255 0.000 3.604 102 T HA 0.112 4.462 4.350 -0.001 0.000 0.305 102 T C 1.003 175.908 174.700 0.341 0.000 0.978 102 T CA -0.093 62.190 62.100 0.305 0.000 0.999 102 T CB 0.127 69.184 68.868 0.315 0.000 1.204 102 T HN 0.151 nan 8.240 nan 0.000 0.476 103 N N 0.945 119.804 118.700 0.265 0.000 2.144 103 N HA -0.169 4.571 4.740 -0.001 0.000 0.195 103 N C 1.084 176.635 175.510 0.069 0.000 1.006 103 N CA 1.266 54.347 53.050 0.052 0.000 0.880 103 N CB -0.172 38.060 38.487 -0.425 0.000 1.018 103 N HN 0.323 nan 8.380 nan 0.000 0.443 104 L N 0.260 121.530 121.223 0.078 0.000 2.551 104 L HA -0.042 4.298 4.340 -0.001 0.000 0.228 104 L C 1.258 178.120 176.870 -0.012 0.000 1.153 104 L CA 1.026 55.867 54.840 0.002 0.000 0.851 104 L CB -0.434 41.582 42.059 -0.073 0.000 0.959 104 L HN 0.283 nan 8.230 nan 0.000 0.451 105 H N -2.416 116.837 119.070 0.304 0.000 2.528 105 H HA 0.115 4.671 4.556 -0.001 0.000 0.282 105 H C 0.918 176.656 175.328 0.684 0.000 1.097 105 H CA 0.078 56.442 56.048 0.526 0.000 1.121 105 H CB 0.520 30.575 29.762 0.488 0.000 1.590 105 H HN 0.262 nan 8.280 nan 0.000 0.553 106 D N 0.339 121.064 120.400 0.543 0.000 2.162 106 D HA -0.036 4.604 4.640 -0.001 0.000 0.203 106 D C 1.847 178.417 176.300 0.450 0.000 0.967 106 D CA 1.389 55.697 54.000 0.514 0.000 0.840 106 D CB 0.235 41.321 40.800 0.477 0.000 0.972 106 D HN 0.514 nan 8.370 nan 0.000 0.482 107 G N -0.610 108.436 108.800 0.410 0.000 2.143 107 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.249 107 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.249 107 G C 0.419 175.415 174.900 0.161 0.000 0.981 107 G CA 0.371 45.645 45.100 0.290 0.000 0.665 107 G HN 0.686 nan 8.290 nan 0.000 0.528 108 A N 1.149 124.029 122.820 0.100 0.000 3.004 108 A HA 0.558 4.878 4.320 -0.001 0.000 0.286 108 A C 0.889 178.476 177.584 0.006 0.000 1.632 108 A CA 0.241 52.227 52.037 -0.085 0.000 1.339 108 A CB -0.883 17.997 19.000 -0.201 0.000 1.136 108 A HN 1.024 nan 8.150 nan 0.000 0.577 109 N N 0.896 119.640 118.700 0.073 0.000 2.345 109 N HA 0.201 4.941 4.740 -0.001 0.000 0.243 109 N C 1.063 176.674 175.510 0.167 0.000 1.246 109 N CA 0.284 53.380 53.050 0.077 0.000 0.863 109 N CB 0.403 38.888 38.487 -0.003 0.000 1.096 109 N HN 0.859 nan 8.380 nan 0.000 0.446 110 G N -0.114 108.786 108.800 0.167 0.000 2.220 110 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.269 110 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.269 110 G C 0.507 175.456 174.900 0.082 0.000 0.977 110 G CA 0.691 45.882 45.100 0.151 0.000 0.634 110 G HN 0.540 nan 8.290 nan 0.000 0.539 111 V N -0.317 119.627 119.914 0.049 0.000 3.134 111 V HA 0.190 4.309 4.120 -0.001 0.000 0.222 111 V C 2.476 178.581 176.094 0.018 0.000 1.247 111 V CA 2.360 64.651 62.300 -0.015 0.000 1.281 111 V CB -0.013 31.744 31.823 -0.111 0.000 1.169 111 V HN 0.722 nan 8.190 nan 0.000 0.512 112 T N -0.912 113.667 114.554 0.042 0.000 3.014 112 T HA 0.258 4.608 4.350 -0.001 0.000 0.250 112 T C 0.355 175.225 174.700 0.283 0.000 1.060 112 T CA 0.624 62.767 62.100 0.072 0.000 1.040 112 T CB 0.026 68.919 68.868 0.041 0.000 0.971 112 T HN 0.750 nan 8.240 nan 0.000 0.497 113 E N -0.689 119.661 120.200 0.250 0.000 2.396 113 E HA 0.418 4.767 4.350 -0.001 0.000 0.280 113 E C -1.551 174.980 176.600 -0.114 0.000 1.065 113 E CA -1.197 55.256 56.400 0.087 0.000 0.831 113 E CB 0.413 30.112 29.700 -0.001 0.000 1.272 113 E HN 0.113 nan 8.360 nan 0.000 0.443 114 c N 2.783 121.176 118.600 -0.346 0.000 2.652 114 c HA 0.407 4.977 4.570 -0.001 0.000 0.412 114 c C -1.842 171.985 174.090 -0.440 0.000 1.294 114 c CA -0.838 55.265 56.329 -0.377 0.000 2.127 114 c CB -0.484 41.842 42.510 -0.307 0.000 2.691 114 c HN 0.565 nan 8.230 nan 0.000 0.615 115 P HA 0.088 nan 4.420 nan 0.000 0.267 115 P C -0.545 176.459 177.300 -0.492 0.000 1.200 115 P CA 0.062 62.751 63.100 -0.685 0.000 0.772 115 P CB 0.330 31.352 31.700 -1.131 0.000 0.855 116 I N 4.994 125.388 120.570 -0.292 0.000 2.683 116 I HA 0.042 4.211 4.170 -0.001 0.000 0.286 116 I C -1.793 174.247 176.117 -0.129 0.000 1.175 116 I CA -1.335 59.877 61.300 -0.148 0.000 1.429 116 I CB -0.784 37.156 38.000 -0.101 0.000 1.371 116 I HN 0.258 nan 8.210 nan 0.000 0.569 117 P HA 0.099 nan 4.420 nan 0.000 0.269 117 P C -2.407 174.763 177.300 -0.217 0.000 1.215 117 P CA -0.880 62.215 63.100 -0.007 0.000 0.780 117 P CB -0.175 31.565 31.700 0.067 0.000 0.898 118 P HA -0.032 nan 4.420 nan 0.000 0.272 118 P C -0.293 176.884 177.300 -0.205 0.000 1.254 118 P CA 0.035 62.932 63.100 -0.338 0.000 0.795 118 P CB 0.241 31.667 31.700 -0.457 0.000 1.022 119 K N -1.281 119.054 120.400 -0.108 0.000 3.130 119 K HA -0.203 4.117 4.320 -0.001 0.000 0.282 119 K C 0.877 177.459 176.600 -0.030 0.000 1.145 119 K CA 0.872 57.132 56.287 -0.045 0.000 0.831 119 K CB -2.291 30.200 32.500 -0.016 0.000 1.226 119 K HN 0.950 nan 8.250 nan 0.000 0.478 120 G N -1.376 107.400 108.800 -0.039 0.000 2.425 120 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.177 120 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.177 120 G C 0.401 175.295 174.900 -0.011 0.000 0.999 120 G CA -0.231 44.861 45.100 -0.014 0.000 0.723 120 G HN 0.635 nan 8.290 nan 0.000 0.491 121 G N 0.386 109.171 108.800 -0.025 0.000 2.568 121 G HA2 0.473 4.433 3.960 -0.001 0.000 0.231 121 G HA3 0.473 4.433 3.960 -0.001 0.000 0.231 121 G C 0.168 175.064 174.900 -0.007 0.000 1.261 121 G CA 1.209 46.300 45.100 -0.015 0.000 0.855 121 G HN 1.246 nan 8.290 nan 0.000 0.576 122 Q N -0.343 119.455 119.800 -0.003 0.000 2.511 122 Q HA 0.778 5.118 4.340 -0.001 0.000 0.289 122 Q C -0.993 175.000 176.000 -0.012 0.000 1.021 122 Q CA -1.296 54.512 55.803 0.008 0.000 0.785 122 Q CB 2.401 31.150 28.738 0.019 0.000 1.472 122 Q HN 0.574 nan 8.270 nan 0.000 0.411 123 R N 0.763 121.260 120.500 -0.005 0.000 2.633 123 R HA 0.311 4.650 4.340 -0.001 0.000 0.255 123 R C -1.745 174.539 176.300 -0.027 0.000 1.106 123 R CA -0.158 55.904 56.100 -0.064 0.000 0.959 123 R CB 2.537 32.737 30.300 -0.166 0.000 1.259 123 R HN 0.894 nan 8.270 nan 0.000 0.453 124 T N 4.222 118.757 114.554 -0.031 0.000 2.799 124 T HA 0.468 4.817 4.350 -0.001 0.000 0.286 124 T C -0.951 173.805 174.700 0.093 0.000 0.973 124 T CA -0.057 62.074 62.100 0.051 0.000 1.035 124 T CB 0.357 69.246 68.868 0.035 0.000 0.932 124 T HN 0.267 nan 8.240 nan 0.000 0.469 125 Y N 1.871 122.295 120.300 0.205 0.000 2.387 125 Y HA 0.660 5.210 4.550 -0.001 0.000 0.336 125 Y C 0.640 176.506 175.900 -0.056 0.000 1.067 125 Y CA -1.041 57.291 58.100 0.386 0.000 1.114 125 Y CB 1.540 40.274 38.460 0.457 0.000 1.208 125 Y HN 0.418 nan 8.280 nan 0.000 0.458 126 R N 4.444 124.824 120.500 -0.200 0.000 2.522 126 R HA 0.373 4.713 4.340 -0.001 0.000 0.283 126 R C -2.130 173.896 176.300 -0.457 0.000 1.074 126 R CA -0.545 55.263 56.100 -0.486 0.000 0.925 126 R CB 1.425 31.496 30.300 -0.381 0.000 1.205 126 R HN 0.898 nan 8.270 nan 0.000 0.436 127 W N 2.404 123.490 121.300 -0.357 0.000 3.042 127 W HA 0.538 5.198 4.660 -0.000 0.000 0.342 127 W C -1.378 175.034 176.519 -0.179 0.000 1.240 127 W CA -1.138 56.055 57.345 -0.252 0.000 1.166 127 W CB 0.467 29.789 29.460 -0.231 0.000 1.469 127 W HN 0.392 nan 8.180 nan 0.000 0.579 128 R N 1.401 122.032 120.500 0.218 0.000 2.428 128 R HA 0.575 4.915 4.340 -0.001 0.000 0.294 128 R C -0.318 176.159 176.300 0.295 0.000 1.000 128 R CA -0.501 55.687 56.100 0.146 0.000 0.960 128 R CB 1.258 31.634 30.300 0.125 0.000 1.076 128 R HN 0.549 nan 8.270 nan 0.000 0.475 129 A N 5.322 128.274 122.820 0.220 0.000 2.922 129 A HA 0.238 4.558 4.320 -0.001 0.000 0.298 129 A C 0.118 177.915 177.584 0.355 0.000 1.588 129 A CA -0.347 51.869 52.037 0.299 0.000 1.288 129 A CB -0.259 18.891 19.000 0.249 0.000 1.130 129 A HN 0.801 nan 8.150 nan 0.000 0.557 130 R N 0.474 121.165 120.500 0.319 0.000 2.356 130 R HA 0.135 4.474 4.340 -0.001 0.000 0.234 130 R C 0.163 176.661 176.300 0.329 0.000 0.929 130 R CA 0.184 56.526 56.100 0.404 0.000 1.084 130 R CB 0.189 30.671 30.300 0.303 0.000 1.105 130 R HN 0.770 nan 8.270 nan 0.000 0.515 131 Q N 0.154 119.995 119.800 0.067 0.000 2.501 131 Q HA 0.352 4.692 4.340 -0.001 0.000 0.288 131 Q C -1.862 173.866 176.000 -0.453 0.000 1.051 131 Q CA -1.011 54.558 55.803 -0.390 0.000 0.788 131 Q CB 1.852 30.380 28.738 -0.350 0.000 1.469 131 Q HN 0.163 nan 8.270 nan 0.000 0.416 132 Y N -0.746 119.152 120.300 -0.670 0.000 2.479 132 Y HA 0.923 5.473 4.550 -0.000 0.000 0.338 132 Y C -0.055 175.583 175.900 -0.436 0.000 1.055 132 Y CA -0.290 57.492 58.100 -0.530 0.000 1.023 132 Y CB 1.519 39.520 38.460 -0.766 0.000 1.287 132 Y HN 0.808 nan 8.280 nan 0.000 0.447 133 G N 0.773 109.477 108.800 -0.160 0.000 2.334 133 G HA2 0.373 4.333 3.960 -0.001 0.000 0.249 133 G HA3 0.373 4.333 3.960 -0.001 0.000 0.249 133 G C -1.615 173.224 174.900 -0.101 0.000 1.327 133 G CA -0.526 44.471 45.100 -0.172 0.000 0.979 133 G HN 0.729 nan 8.290 nan 0.000 0.471 134 T N 1.023 115.507 114.554 -0.115 0.000 2.840 134 T HA 0.808 5.157 4.350 -0.001 0.000 0.287 134 T C -0.168 174.481 174.700 -0.085 0.000 0.991 134 T CA 0.260 62.314 62.100 -0.076 0.000 0.964 134 T CB 1.452 70.270 68.868 -0.084 0.000 0.954 134 T HN 0.909 nan 8.240 nan 0.000 0.438 135 S N 1.860 117.549 115.700 -0.019 0.000 3.341 135 S HA 0.842 5.311 4.470 -0.001 0.000 0.326 135 S C -1.612 173.093 174.600 0.175 0.000 1.178 135 S CA -1.018 57.207 58.200 0.041 0.000 1.002 135 S CB 1.439 64.649 63.200 0.017 0.000 1.385 135 S HN 0.847 nan 8.310 nan 0.000 0.710 136 W N 0.008 121.220 121.300 -0.147 0.000 2.895 136 W HA 0.695 5.355 4.660 -0.001 0.000 0.377 136 W C -2.539 173.968 176.519 -0.020 0.000 1.191 136 W CA -1.312 55.957 57.345 -0.128 0.000 1.179 136 W CB -0.189 29.105 29.460 -0.277 0.000 1.469 136 W HN 0.826 nan 8.180 nan 0.000 0.577 137 Y N 0.056 120.382 120.300 0.044 0.000 2.571 137 Y HA 0.782 5.331 4.550 -0.001 0.000 0.341 137 Y C -1.011 174.727 175.900 -0.269 0.000 1.076 137 Y CA -1.393 56.471 58.100 -0.394 0.000 1.029 137 Y CB 1.448 39.803 38.460 -0.174 0.000 1.308 137 Y HN 0.800 nan 8.280 nan 0.000 0.461 138 H N -1.377 117.475 119.070 -0.362 0.000 2.987 138 H HA 0.522 5.077 4.556 -0.001 0.000 0.316 138 H C -1.191 174.037 175.328 -0.167 0.000 1.380 138 H CA -1.054 54.831 56.048 -0.271 0.000 1.160 138 H CB 0.933 30.339 29.762 -0.594 0.000 1.865 138 H HN 0.774 nan 8.280 nan 0.000 0.521 139 S N -0.065 115.710 115.700 0.126 0.000 2.552 139 S HA -0.075 4.395 4.470 -0.001 0.000 0.289 139 S C 0.246 174.957 174.600 0.185 0.000 1.304 139 S CA -0.216 58.073 58.200 0.149 0.000 1.063 139 S CB -0.078 63.253 63.200 0.219 0.000 0.848 139 S HN 0.769 nan 8.310 nan 0.000 0.499 140 H N 3.757 122.899 119.070 0.121 0.000 2.507 140 H HA 0.161 4.716 4.556 -0.001 0.000 0.294 140 H C -0.596 174.852 175.328 0.200 0.000 1.064 140 H CA -0.130 56.003 56.048 0.141 0.000 1.138 140 H CB -0.091 29.708 29.762 0.061 0.000 1.515 140 H HN 0.579 nan 8.280 nan 0.000 0.547 141 F N 1.636 121.657 119.950 0.118 0.000 2.423 141 F HA 0.156 4.683 4.527 -0.000 0.000 0.356 141 F C 0.994 176.923 175.800 0.215 0.000 1.170 141 F CA 0.011 58.066 58.000 0.091 0.000 1.163 141 F CB -0.005 38.932 39.000 -0.105 0.000 1.318 141 F HN 0.065 nan 8.300 nan 0.000 0.569 142 S N 2.947 118.701 115.700 0.089 0.000 4.046 142 S HA -0.343 4.126 4.470 -0.001 0.000 0.572 142 S C 0.832 175.498 174.600 0.110 0.000 2.022 142 S CA 1.412 59.659 58.200 0.077 0.000 4.201 142 S CB -1.400 61.832 63.200 0.053 0.000 0.438 142 S HN 1.105 nan 8.310 nan 0.000 0.618 143 A N 1.216 124.119 122.820 0.138 0.000 2.842 143 A HA 0.362 4.682 4.320 -0.001 0.000 0.298 143 A C 1.292 178.930 177.584 0.090 0.000 1.293 143 A CA 0.724 52.816 52.037 0.093 0.000 0.959 143 A CB -0.295 18.789 19.000 0.140 0.000 1.119 143 A HN 0.575 nan 8.150 nan 0.000 0.564 144 Q N -0.145 119.775 119.800 0.200 0.000 2.435 144 Q HA -0.157 4.182 4.340 -0.001 0.000 0.207 144 Q C 1.214 177.301 176.000 0.144 0.000 0.956 144 Q CA 1.527 57.446 55.803 0.192 0.000 0.917 144 Q CB -0.320 28.590 28.738 0.288 0.000 0.997 144 Q HN 0.934 nan 8.270 nan 0.000 0.497 145 Y N -2.480 117.861 120.300 0.070 0.000 2.516 145 Y HA 0.317 4.867 4.550 -0.001 0.000 0.291 145 Y C 1.839 177.775 175.900 0.060 0.000 1.131 145 Y CA 0.685 58.824 58.100 0.064 0.000 1.281 145 Y CB -0.658 37.846 38.460 0.074 0.000 1.013 145 Y HN 0.005 nan 8.280 nan 0.000 0.554 146 G N 0.765 109.239 108.800 -0.544 0.000 2.559 146 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 146 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 146 G C 1.157 176.011 174.900 -0.077 0.000 1.126 146 G CA 0.655 45.538 45.100 -0.361 0.000 0.778 146 G HN 0.383 nan 8.290 nan 0.000 0.543 147 N N -0.042 118.644 118.700 -0.024 0.000 2.353 147 N HA 0.168 4.907 4.740 -0.001 0.000 0.185 147 N C 1.666 177.157 175.510 -0.032 0.000 1.098 147 N CA 0.937 53.987 53.050 -0.000 0.000 0.872 147 N CB 0.711 39.216 38.487 0.029 0.000 0.970 147 N HN 0.399 nan 8.380 nan 0.000 0.467 148 G N -1.031 107.766 108.800 -0.005 0.000 2.551 148 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.186 148 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.186 148 G C -0.136 174.774 174.900 0.016 0.000 1.002 148 G CA -0.263 44.824 45.100 -0.021 0.000 0.723 148 G HN 0.091 nan 8.290 nan 0.000 0.481 149 V N 1.896 121.846 119.914 0.061 0.000 2.304 149 V HA 0.488 4.607 4.120 -0.001 0.000 0.239 149 V C 0.543 176.707 176.094 0.118 0.000 1.201 149 V CA 1.012 63.356 62.300 0.073 0.000 1.254 149 V CB 0.061 31.945 31.823 0.102 0.000 1.335 149 V HN 1.116 nan 8.190 nan 0.000 0.491 150 V N 3.043 122.978 119.914 0.035 0.000 3.234 150 V HA 0.963 5.082 4.120 -0.001 0.000 0.280 150 V C -0.229 175.726 176.094 -0.232 0.000 1.580 150 V CA 0.412 62.699 62.300 -0.022 0.000 1.032 150 V CB 2.174 34.135 31.823 0.230 0.000 1.203 150 V HN 0.741 nan 8.190 nan 0.000 0.459 151 G N 1.989 110.366 108.800 -0.705 0.000 2.570 151 G HA2 0.741 4.701 3.960 -0.001 0.000 0.310 151 G HA3 0.741 4.701 3.960 -0.001 0.000 0.310 151 G C -0.588 173.868 174.900 -0.739 0.000 1.266 151 G CA 0.236 44.954 45.100 -0.637 0.000 0.825 151 G HN 1.603 nan 8.290 nan 0.000 0.483 152 T N -1.558 112.855 114.554 -0.235 0.000 2.940 152 T HA 0.768 5.118 4.350 -0.001 0.000 0.288 152 T C -0.514 174.354 174.700 0.279 0.000 1.033 152 T CA -0.578 61.535 62.100 0.021 0.000 1.033 152 T CB 1.866 70.736 68.868 0.003 0.000 1.079 152 T HN 0.491 nan 8.240 nan 0.000 0.496 153 I N 1.219 121.942 120.570 0.256 0.000 2.465 153 I HA 0.429 4.599 4.170 -0.001 0.000 0.291 153 I C -0.202 175.994 176.117 0.131 0.000 1.014 153 I CA -0.742 60.706 61.300 0.248 0.000 1.093 153 I CB 2.165 40.351 38.000 0.311 0.000 1.267 153 I HN 0.637 nan 8.210 nan 0.000 0.431 154 Q N 6.418 126.286 119.800 0.114 0.000 2.339 154 Q HA 0.503 4.843 4.340 -0.001 0.000 0.268 154 Q C -1.550 174.506 176.000 0.093 0.000 1.027 154 Q CA -0.551 55.298 55.803 0.077 0.000 0.759 154 Q CB 1.426 30.208 28.738 0.074 0.000 1.244 154 Q HN 0.527 nan 8.270 nan 0.000 0.464 155 I N 4.209 124.824 120.570 0.075 0.000 2.354 155 I HA 0.300 4.469 4.170 -0.001 0.000 0.286 155 I C -0.151 175.998 176.117 0.054 0.000 1.007 155 I CA -0.618 60.739 61.300 0.095 0.000 1.167 155 I CB 1.086 39.145 38.000 0.098 0.000 1.320 155 I HN 0.663 nan 8.210 nan 0.000 0.458 156 N N 4.146 122.890 118.700 0.074 0.000 2.381 156 N HA 0.672 5.412 4.740 -0.001 0.000 0.254 156 N C 0.416 175.667 175.510 -0.431 0.000 1.264 156 N CA 0.075 53.135 53.050 0.018 0.000 0.942 156 N CB 1.835 40.460 38.487 0.230 0.000 1.190 156 N HN 0.848 nan 8.380 nan 0.000 0.495 157 G N -0.545 107.696 108.800 -0.933 0.000 2.324 157 G HA2 0.187 4.146 3.960 -0.001 0.000 0.293 157 G HA3 0.187 4.146 3.960 -0.001 0.000 0.293 157 G C -3.268 171.131 174.900 -0.834 0.000 1.297 157 G CA -0.796 43.158 45.100 -1.909 0.000 0.853 157 G HN 0.289 nan 8.290 nan 0.000 0.535 158 P HA 0.489 nan 4.420 nan 0.000 0.269 158 P C -0.191 177.066 177.300 -0.072 0.000 1.215 158 P CA 0.387 63.346 63.100 -0.235 0.000 0.780 158 P CB 1.217 32.810 31.700 -0.179 0.000 0.898 159 A N 1.146 124.014 122.820 0.080 0.000 2.423 159 A HA 0.531 4.851 4.320 -0.001 0.000 0.304 159 A C 0.571 178.236 177.584 0.136 0.000 1.104 159 A CA -0.284 51.856 52.037 0.171 0.000 0.757 159 A CB 0.922 20.119 19.000 0.328 0.000 1.313 159 A HN 0.463 nan 8.150 nan 0.000 0.423 160 S N -0.180 115.604 115.700 0.141 0.000 2.679 160 S HA 0.503 4.973 4.470 -0.001 0.000 0.233 160 S C -0.255 174.405 174.600 0.100 0.000 0.951 160 S CA 0.038 58.304 58.200 0.110 0.000 0.973 160 S CB -0.770 62.491 63.200 0.101 0.000 0.778 160 S HN 0.736 nan 8.310 nan 0.000 0.477 161 L N 1.569 122.860 121.223 0.113 0.000 2.591 161 L HA 0.560 4.899 4.340 -0.001 0.000 0.257 161 L C -2.714 174.200 176.870 0.074 0.000 0.935 161 L CA -1.603 53.299 54.840 0.104 0.000 0.873 161 L CB 2.203 44.343 42.059 0.135 0.000 1.397 161 L HN -0.094 nan 8.230 nan 0.000 0.414 162 P HA 0.332 nan 4.420 nan 0.000 0.275 162 P C -1.846 175.471 177.300 0.027 0.000 1.228 162 P CA 0.117 63.178 63.100 -0.066 0.000 0.786 162 P CB 0.683 32.358 31.700 -0.041 0.000 0.927 163 Y N -1.172 119.131 120.300 0.005 0.000 2.592 163 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 163 Y C 0.186 176.060 175.900 -0.044 0.000 1.136 163 Y CA -1.054 57.035 58.100 -0.019 0.000 1.042 163 Y CB 0.075 38.535 38.460 -0.001 0.000 1.325 163 Y HN 0.134 nan 8.280 nan 0.000 0.457 164 D N 1.829 122.301 120.400 0.120 0.000 2.201 164 D HA 0.165 4.804 4.640 -0.001 0.000 0.209 164 D C 0.094 176.436 176.300 0.070 0.000 0.961 164 D CA 1.370 55.380 54.000 0.017 0.000 0.861 164 D CB 1.059 41.802 40.800 -0.095 0.000 0.997 164 D HN 0.499 nan 8.370 nan 0.000 0.486 165 I N 1.011 121.606 120.570 0.041 0.000 2.498 165 I HA 0.129 4.298 4.170 -0.001 0.000 0.290 165 I C -0.763 175.375 176.117 0.034 0.000 1.032 165 I CA -0.838 60.474 61.300 0.021 0.000 1.073 165 I CB 2.632 40.589 38.000 -0.071 0.000 1.251 165 I HN -0.310 nan 8.210 nan 0.000 0.426 166 D N 6.262 126.683 120.400 0.035 0.000 2.412 166 D HA 0.290 4.930 4.640 -0.001 0.000 0.224 166 D C 0.674 176.940 176.300 -0.057 0.000 1.093 166 D CA -0.148 53.800 54.000 -0.087 0.000 0.850 166 D CB 1.152 41.956 40.800 0.006 0.000 1.046 166 D HN 0.442 nan 8.370 nan 0.000 0.507 167 L N 2.983 124.147 121.223 -0.098 0.000 2.291 167 L HA 0.167 4.507 4.340 -0.001 0.000 0.214 167 L C 1.551 178.357 176.870 -0.105 0.000 1.120 167 L CA 0.688 55.456 54.840 -0.119 0.000 0.799 167 L CB -0.747 41.189 42.059 -0.206 0.000 0.925 167 L HN 0.696 nan 8.230 nan 0.000 0.446 168 G N -0.309 108.440 108.800 -0.086 0.000 2.660 168 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.247 168 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.247 168 G C -0.339 174.541 174.900 -0.034 0.000 1.328 168 G CA -0.482 44.594 45.100 -0.039 0.000 0.884 168 G HN 0.220 nan 8.290 nan 0.000 0.531 169 V N -2.725 117.191 119.914 0.003 0.000 2.811 169 V HA 0.683 4.803 4.120 -0.001 0.000 0.302 169 V C 0.419 176.572 176.094 0.099 0.000 1.063 169 V CA 0.014 62.326 62.300 0.020 0.000 1.088 169 V CB 1.408 33.234 31.823 0.005 0.000 0.982 169 V HN 1.585 nan 8.190 nan 0.000 0.485 170 F N 6.599 126.470 119.950 -0.133 0.000 2.622 170 F HA 0.598 5.124 4.527 -0.001 0.000 0.338 170 F C -2.484 173.216 175.800 -0.166 0.000 1.334 170 F CA -3.028 54.877 58.000 -0.159 0.000 1.179 170 F CB 1.082 39.969 39.000 -0.189 0.000 1.471 170 F HN 0.493 nan 8.300 nan 0.000 0.576 171 P HA 0.378 nan 4.420 nan 0.000 0.277 171 P C -0.603 176.489 177.300 -0.347 0.000 1.240 171 P CA -0.088 62.852 63.100 -0.266 0.000 0.798 171 P CB 2.054 33.606 31.700 -0.246 0.000 0.979 172 I N 0.781 121.166 120.570 -0.308 0.000 2.447 172 I HA 0.382 4.551 4.170 -0.001 0.000 0.287 172 I C 0.146 176.207 176.117 -0.094 0.000 1.023 172 I CA -0.398 60.731 61.300 -0.285 0.000 1.083 172 I CB 2.291 40.067 38.000 -0.374 0.000 1.245 172 I HN 0.230 nan 8.210 nan 0.000 0.434 173 T N 3.862 118.376 114.554 -0.067 0.000 2.886 173 T HA 0.299 4.649 4.350 -0.001 0.000 0.292 173 T C -0.907 173.875 174.700 0.137 0.000 1.012 173 T CA -0.745 61.400 62.100 0.076 0.000 0.982 173 T CB 1.019 69.911 68.868 0.040 0.000 1.018 173 T HN 0.700 nan 8.240 nan 0.000 0.451 174 D N 2.621 123.150 120.400 0.215 0.000 2.400 174 D HA 0.110 4.749 4.640 -0.001 0.000 0.238 174 D C -0.757 175.485 176.300 -0.098 0.000 1.157 174 D CA 0.119 54.149 54.000 0.050 0.000 0.889 174 D CB 0.263 41.066 40.800 0.004 0.000 1.199 174 D HN 0.552 nan 8.370 nan 0.000 0.436 175 Y N 1.008 121.022 120.300 -0.477 0.000 2.317 175 Y HA 0.336 4.885 4.550 -0.000 0.000 0.325 175 Y C -1.878 173.707 175.900 -0.526 0.000 1.066 175 Y CA -0.960 56.947 58.100 -0.323 0.000 1.203 175 Y CB 0.707 39.084 38.460 -0.138 0.000 1.127 175 Y HN 0.302 nan 8.280 nan 0.000 0.451 176 Y N 4.507 124.529 120.300 -0.463 0.000 2.420 176 Y HA 0.288 4.838 4.550 -0.000 0.000 0.334 176 Y C 0.058 175.683 175.900 -0.458 0.000 1.094 176 Y CA -0.694 57.150 58.100 -0.426 0.000 1.126 176 Y CB 0.857 39.215 38.460 -0.170 0.000 1.217 176 Y HN 0.580 nan 8.280 nan 0.000 0.462 177 Y N -0.317 119.958 120.300 -0.043 0.000 2.337 177 Y HA 0.064 4.613 4.550 -0.000 0.000 0.293 177 Y C 0.996 176.886 175.900 -0.018 0.000 1.123 177 Y CA 0.287 58.357 58.100 -0.050 0.000 1.201 177 Y CB -0.062 38.401 38.460 0.004 0.000 1.011 177 Y HN 0.271 nan 8.280 nan 0.000 0.545 178 R N 0.850 121.417 120.500 0.112 0.000 2.441 178 R HA 0.503 4.842 4.340 -0.001 0.000 0.284 178 R C 0.235 176.546 176.300 0.018 0.000 1.070 178 R CA -0.222 55.896 56.100 0.030 0.000 1.047 178 R CB 0.701 30.963 30.300 -0.064 0.000 1.016 178 R HN 0.101 nan 8.270 nan 0.000 0.477 179 A N 1.493 124.326 122.820 0.022 0.000 2.313 179 A HA 0.440 4.760 4.320 -0.001 0.000 0.261 179 A C 1.293 178.894 177.584 0.028 0.000 1.090 179 A CA 0.340 52.400 52.037 0.038 0.000 0.807 179 A CB 0.312 19.340 19.000 0.048 0.000 1.055 179 A HN 0.819 nan 8.150 nan 0.000 0.492 180 A N 0.291 123.152 122.820 0.068 0.000 1.908 180 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 180 A C 1.415 179.064 177.584 0.109 0.000 1.181 180 A CA 2.418 54.527 52.037 0.119 0.000 0.627 180 A CB -0.944 18.129 19.000 0.122 0.000 0.818 180 A HN 0.849 nan 8.150 nan 0.000 0.445 181 D N -0.105 120.354 120.400 0.098 0.000 2.269 181 D HA -0.059 4.581 4.640 -0.001 0.000 0.208 181 D C 1.225 177.560 176.300 0.058 0.000 0.963 181 D CA 0.960 55.019 54.000 0.099 0.000 0.864 181 D CB -0.065 40.796 40.800 0.103 0.000 0.936 181 D HN 0.441 nan 8.370 nan 0.000 0.505 182 D N 0.544 120.953 120.400 0.016 0.000 2.097 182 D HA -0.084 4.555 4.640 -0.001 0.000 0.197 182 D C 2.283 178.566 176.300 -0.028 0.000 0.984 182 D CA 0.580 54.581 54.000 0.000 0.000 0.826 182 D CB -0.200 40.584 40.800 -0.026 0.000 0.973 182 D HN 0.248 nan 8.370 nan 0.000 0.460 183 L N 0.897 122.015 121.223 -0.175 0.000 2.081 183 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 183 L C 2.634 179.236 176.870 -0.446 0.000 1.080 183 L CA 0.755 55.318 54.840 -0.462 0.000 0.754 183 L CB -0.616 40.943 42.059 -0.834 0.000 0.893 183 L HN -0.053 nan 8.230 nan 0.000 0.433 184 V N -0.535 119.287 119.914 -0.153 0.000 2.237 184 V HA -0.342 3.778 4.120 -0.001 0.000 0.245 184 V C 2.433 178.546 176.094 0.031 0.000 1.046 184 V CA 2.220 64.525 62.300 0.008 0.000 1.007 184 V CB -0.738 31.169 31.823 0.140 0.000 0.638 184 V HN 0.483 nan 8.190 nan 0.000 0.445 185 H N -0.778 118.300 119.070 0.013 0.000 2.289 185 H HA -0.291 4.265 4.556 -0.000 0.000 0.296 185 H C 2.038 177.373 175.328 0.012 0.000 1.091 185 H CA 2.582 58.642 56.048 0.021 0.000 1.274 185 H CB -0.325 29.452 29.762 0.025 0.000 1.364 185 H HN 0.319 nan 8.280 nan 0.000 0.490 186 F N 0.937 120.929 119.950 0.069 0.000 2.085 186 F HA -0.323 4.204 4.527 0.000 0.000 0.299 186 F C 2.650 178.396 175.800 -0.090 0.000 1.096 186 F CA 2.444 60.423 58.000 -0.034 0.000 1.227 186 F CB -0.673 38.245 39.000 -0.137 0.000 0.983 186 F HN 0.404 nan 8.300 nan 0.000 0.482 187 T N -2.621 111.883 114.554 -0.083 0.000 3.088 187 T HA -0.060 4.289 4.350 -0.001 0.000 0.259 187 T C 1.626 176.385 174.700 0.099 0.000 1.122 187 T CA 0.671 62.727 62.100 -0.074 0.000 1.095 187 T CB -0.373 68.405 68.868 -0.150 0.000 0.930 187 T HN 0.447 nan 8.240 nan 0.000 0.508 188 Q N 1.869 121.688 119.800 0.031 0.000 2.197 188 Q HA -0.087 4.253 4.340 -0.001 0.000 0.207 188 Q C 1.219 177.243 176.000 0.040 0.000 0.984 188 Q CA 1.337 57.160 55.803 0.033 0.000 0.869 188 Q CB -0.212 28.432 28.738 -0.157 0.000 0.906 188 Q HN 0.723 nan 8.270 nan 0.000 0.426 189 N N -0.387 118.297 118.700 -0.027 0.000 2.197 189 N HA 0.166 4.906 4.740 -0.001 0.000 0.228 189 N C -0.546 175.044 175.510 0.134 0.000 1.212 189 N CA 0.028 53.031 53.050 -0.078 0.000 0.883 189 N CB 0.773 39.140 38.487 -0.200 0.000 1.107 189 N HN 0.102 nan 8.380 nan 0.000 0.519 190 N N 0.484 119.290 118.700 0.177 0.000 2.484 190 N HA 0.270 5.010 4.740 -0.001 0.000 0.269 190 N C -1.073 174.368 175.510 -0.115 0.000 1.237 190 N CA -0.415 52.594 53.050 -0.067 0.000 0.838 190 N CB 2.736 40.686 38.487 -0.895 0.000 1.593 190 N HN 0.006 nan 8.380 nan 0.000 0.485 191 A N 1.990 124.778 122.820 -0.054 0.000 2.531 191 A HA 0.224 4.544 4.320 -0.001 0.000 0.236 191 A C -1.945 175.701 177.584 0.104 0.000 1.062 191 A CA -0.401 51.611 52.037 -0.042 0.000 0.760 191 A CB -0.580 18.427 19.000 0.013 0.000 0.995 191 A HN 0.366 nan 8.150 nan 0.000 0.501 192 P HA 0.179 nan 4.420 nan 0.000 0.268 192 P C -2.537 174.893 177.300 0.217 0.000 1.205 192 P CA -0.746 62.441 63.100 0.146 0.000 0.771 192 P CB -0.083 31.791 31.700 0.290 0.000 0.858 193 P HA 0.200 nan 4.420 nan 0.000 0.276 193 P C -0.154 177.393 177.300 0.412 0.000 1.252 193 P CA -0.360 62.862 63.100 0.203 0.000 0.802 193 P CB 0.378 32.110 31.700 0.053 0.000 1.035 194 F N 0.562 120.563 119.950 0.086 0.000 2.607 194 F HA -0.002 4.525 4.527 -0.001 0.000 0.374 194 F C 1.708 177.565 175.800 0.094 0.000 1.104 194 F CA -0.230 57.794 58.000 0.041 0.000 1.296 194 F CB -0.468 38.492 39.000 -0.067 0.000 1.085 194 F HN 0.250 nan 8.300 nan 0.000 0.584 195 S N 1.941 117.694 115.700 0.089 0.000 2.573 195 S HA 0.024 4.494 4.470 -0.001 0.000 0.277 195 S C 0.791 175.231 174.600 -0.268 0.000 1.346 195 S CA -0.665 57.296 58.200 -0.400 0.000 1.034 195 S CB 0.773 63.671 63.200 -0.504 0.000 0.879 195 S HN 0.595 nan 8.310 nan 0.000 0.528 196 D N 0.802 120.930 120.400 -0.453 0.000 2.277 196 D HA 0.069 4.709 4.640 -0.001 0.000 0.208 196 D C 0.406 176.568 176.300 -0.230 0.000 0.962 196 D CA 0.919 54.669 54.000 -0.416 0.000 0.865 196 D CB -0.069 40.089 40.800 -1.071 0.000 0.939 196 D HN 0.515 nan 8.370 nan 0.000 0.510 197 N N -0.998 117.599 118.700 -0.172 0.000 3.046 197 N HA 0.139 4.879 4.740 -0.001 0.000 0.243 197 N C -1.900 173.592 175.510 -0.031 0.000 1.452 197 N CA -0.444 52.585 53.050 -0.035 0.000 0.882 197 N CB 2.133 40.644 38.487 0.041 0.000 1.425 197 N HN -0.362 nan 8.380 nan 0.000 0.517 198 V N 2.296 122.184 119.914 -0.044 0.000 2.376 198 V HA 0.453 4.572 4.120 -0.001 0.000 0.287 198 V C 0.226 176.235 176.094 -0.143 0.000 1.015 198 V CA -0.744 61.509 62.300 -0.079 0.000 0.834 198 V CB 1.188 32.912 31.823 -0.166 0.000 1.001 198 V HN 0.445 nan 8.190 nan 0.000 0.428 199 L N 5.636 126.778 121.223 -0.135 0.000 2.426 199 L HA 0.457 4.797 4.340 -0.001 0.000 0.271 199 L C -0.405 176.321 176.870 -0.240 0.000 1.169 199 L CA 0.106 54.830 54.840 -0.194 0.000 0.836 199 L CB 0.517 42.467 42.059 -0.182 0.000 1.112 199 L HN 0.468 nan 8.230 nan 0.000 0.465 200 I N 2.800 123.216 120.570 -0.257 0.000 2.436 200 I HA 0.175 4.345 4.170 -0.001 0.000 0.289 200 I C 0.343 176.239 176.117 -0.367 0.000 1.010 200 I CA -0.600 60.460 61.300 -0.401 0.000 1.098 200 I CB 1.484 39.263 38.000 -0.368 0.000 1.266 200 I HN 0.654 nan 8.210 nan 0.000 0.434 201 N N 5.254 123.689 118.700 -0.441 0.000 2.702 201 N HA -0.240 4.500 4.740 -0.001 0.000 0.261 201 N C 0.838 176.276 175.510 -0.120 0.000 0.965 201 N CA 1.432 54.345 53.050 -0.228 0.000 0.795 201 N CB -0.571 37.855 38.487 -0.103 0.000 0.909 201 N HN 1.100 nan 8.380 nan 0.000 0.546 202 G N -2.110 106.619 108.800 -0.118 0.000 2.217 202 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.246 202 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.246 202 G C 0.314 175.155 174.900 -0.098 0.000 0.990 202 G CA 0.633 45.693 45.100 -0.066 0.000 0.627 202 G HN 0.979 nan 8.290 nan 0.000 0.522 203 T N -0.605 113.872 114.554 -0.129 0.000 2.883 203 T HA 0.904 5.253 4.350 -0.001 0.000 0.301 203 T C -0.783 173.822 174.700 -0.158 0.000 1.158 203 T CA 0.845 62.862 62.100 -0.138 0.000 1.007 203 T CB 1.531 70.350 68.868 -0.082 0.000 1.186 203 T HN 1.956 nan 8.240 nan 0.000 0.499 204 A N 1.779 124.485 122.820 -0.190 0.000 2.586 204 A HA 0.690 5.010 4.320 -0.001 0.000 0.291 204 A C -1.571 175.860 177.584 -0.256 0.000 1.062 204 A CA -0.577 51.335 52.037 -0.207 0.000 0.666 204 A CB 0.880 19.762 19.000 -0.197 0.000 1.281 204 A HN 0.749 nan 8.150 nan 0.000 0.421 205 V N 1.716 121.427 119.914 -0.338 0.000 2.716 205 V HA 0.385 4.504 4.120 -0.001 0.000 0.304 205 V C 0.416 176.407 176.094 -0.172 0.000 1.053 205 V CA -0.937 61.167 62.300 -0.327 0.000 0.984 205 V CB 1.769 33.264 31.823 -0.547 0.000 1.021 205 V HN 0.829 nan 8.190 nan 0.000 0.467 206 N N 5.349 123.987 118.700 -0.104 0.000 2.401 206 N HA 0.179 4.919 4.740 -0.001 0.000 0.255 206 N C -1.640 173.858 175.510 -0.019 0.000 1.110 206 N CA -1.613 51.420 53.050 -0.029 0.000 0.949 206 N CB 1.701 40.184 38.487 -0.006 0.000 1.110 206 N HN 0.390 nan 8.380 nan 0.000 0.490 207 P HA -0.003 nan 4.420 nan 0.000 0.244 207 P C -0.142 177.173 177.300 0.025 0.000 1.211 207 P CA 0.706 63.814 63.100 0.014 0.000 0.760 207 P CB 0.508 32.217 31.700 0.015 0.000 0.961 208 N N -1.242 117.472 118.700 0.023 0.000 2.325 208 N HA 0.011 4.751 4.740 -0.001 0.000 0.220 208 N C 1.359 176.876 175.510 0.011 0.000 1.176 208 N CA 0.996 54.060 53.050 0.023 0.000 0.861 208 N CB 0.385 38.893 38.487 0.034 0.000 1.230 208 N HN 0.229 nan 8.380 nan 0.000 0.479 209 T N -3.864 110.690 114.554 0.001 0.000 2.959 209 T HA 0.328 4.678 4.350 -0.001 0.000 0.254 209 T C 1.375 176.067 174.700 -0.014 0.000 1.003 209 T CA 0.794 62.888 62.100 -0.011 0.000 0.950 209 T CB 0.975 69.828 68.868 -0.025 0.000 1.090 209 T HN 0.161 nan 8.240 nan 0.000 0.503 210 G N 1.310 110.099 108.800 -0.018 0.000 2.179 210 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.260 210 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.260 210 G C -0.085 174.785 174.900 -0.050 0.000 0.977 210 G CA 0.312 45.397 45.100 -0.024 0.000 0.641 210 G HN 0.677 nan 8.290 nan 0.000 0.533 211 E N -0.045 120.121 120.200 -0.057 0.000 2.409 211 E HA 0.497 4.847 4.350 -0.001 0.000 0.257 211 E C 1.104 177.642 176.600 -0.104 0.000 1.150 211 E CA 1.276 57.633 56.400 -0.071 0.000 0.942 211 E CB 0.505 30.162 29.700 -0.071 0.000 0.979 211 E HN 1.610 nan 8.360 nan 0.000 0.447 212 G N 0.820 109.556 108.800 -0.106 0.000 2.627 212 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.214 212 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.214 212 G C -1.234 173.588 174.900 -0.131 0.000 1.331 212 G CA -0.190 44.832 45.100 -0.130 0.000 0.891 212 G HN 0.624 nan 8.290 nan 0.000 0.539 213 Q N -1.927 117.782 119.800 -0.153 0.000 2.575 213 Q HA 0.673 5.012 4.340 -0.001 0.000 0.290 213 Q C -1.347 174.580 176.000 -0.122 0.000 0.963 213 Q CA -1.208 54.529 55.803 -0.109 0.000 0.783 213 Q CB 1.173 29.905 28.738 -0.009 0.000 1.467 213 Q HN 0.725 nan 8.270 nan 0.000 0.402 214 Y N 0.778 121.110 120.300 0.053 0.000 2.314 214 Y HA 0.481 5.030 4.550 -0.001 0.000 0.334 214 Y C 0.823 176.762 175.900 0.064 0.000 1.266 214 Y CA 0.061 58.214 58.100 0.090 0.000 1.391 214 Y CB 0.746 39.319 38.460 0.188 0.000 1.306 214 Y HN 0.762 nan 8.280 nan 0.000 0.558 215 A N 2.322 125.278 122.820 0.228 0.000 2.498 215 A HA 0.144 4.463 4.320 -0.001 0.000 0.239 215 A C -0.116 177.589 177.584 0.201 0.000 1.068 215 A CA -0.165 51.977 52.037 0.175 0.000 0.766 215 A CB -0.232 18.872 19.000 0.172 0.000 1.003 215 A HN 0.728 nan 8.150 nan 0.000 0.497 216 N N 1.734 120.486 118.700 0.086 0.000 2.576 216 N HA 0.445 5.185 4.740 -0.001 0.000 0.269 216 N C -1.564 173.861 175.510 -0.142 0.000 1.058 216 N CA -0.295 52.758 53.050 0.004 0.000 0.860 216 N CB 1.338 39.823 38.487 -0.004 0.000 1.249 216 N HN 0.270 nan 8.380 nan 0.000 0.525 217 V N 2.282 121.981 119.914 -0.357 0.000 2.459 217 V HA 0.511 4.631 4.120 -0.001 0.000 0.295 217 V C 0.200 175.995 176.094 -0.498 0.000 1.029 217 V CA -0.613 61.304 62.300 -0.638 0.000 0.874 217 V CB 1.642 32.548 31.823 -1.530 0.000 0.985 217 V HN 0.581 nan 8.190 nan 0.000 0.438 218 T N 6.544 120.906 114.554 -0.319 0.000 2.743 218 T HA 0.548 4.897 4.350 -0.001 0.000 0.292 218 T C -0.156 174.398 174.700 -0.243 0.000 0.972 218 T CA -0.253 61.748 62.100 -0.165 0.000 0.967 218 T CB 0.361 69.214 68.868 -0.026 0.000 0.926 218 T HN 0.361 nan 8.240 nan 0.000 0.459 219 L N 3.116 124.145 121.223 -0.323 0.000 2.326 219 L HA 0.358 4.698 4.340 -0.001 0.000 0.278 219 L C 0.827 177.587 176.870 -0.184 0.000 1.092 219 L CA -0.805 53.759 54.840 -0.460 0.000 0.810 219 L CB 0.462 42.040 42.059 -0.802 0.000 1.153 219 L HN 0.512 nan 8.230 nan 0.000 0.439 220 T N 3.620 118.268 114.554 0.156 0.000 2.779 220 T HA 0.170 4.519 4.350 -0.001 0.000 0.296 220 T C -2.280 172.438 174.700 0.030 0.000 0.938 220 T CA -0.946 61.199 62.100 0.075 0.000 1.119 220 T CB 0.523 69.428 68.868 0.062 0.000 0.891 220 T HN 0.340 nan 8.240 nan 0.000 0.526 221 P HA 0.115 nan 4.420 nan 0.000 0.261 221 P C 1.143 178.496 177.300 0.088 0.000 1.173 221 P CA 0.948 64.092 63.100 0.073 0.000 0.760 221 P CB 0.204 32.012 31.700 0.180 0.000 0.783 222 G N 1.547 110.419 108.800 0.120 0.000 2.220 222 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.269 222 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.269 222 G C 0.323 175.254 174.900 0.052 0.000 0.977 222 G CA 0.282 45.438 45.100 0.093 0.000 0.634 222 G HN 0.507 nan 8.290 nan 0.000 0.539 223 K N 0.740 121.160 120.400 0.032 0.000 2.185 223 K HA 0.630 4.950 4.320 -0.001 0.000 0.271 223 K C 0.783 177.310 176.600 -0.123 0.000 1.013 223 K CA -0.406 55.808 56.287 -0.121 0.000 0.943 223 K CB 0.421 32.728 32.500 -0.322 0.000 0.998 223 K HN 0.506 nan 8.250 nan 0.000 0.468 224 R N 1.470 121.875 120.500 -0.160 0.000 2.486 224 R HA 0.521 4.861 4.340 -0.001 0.000 0.286 224 R C -0.773 175.417 176.300 -0.183 0.000 0.999 224 R CA -0.649 55.438 56.100 -0.022 0.000 0.993 224 R CB 0.678 31.021 30.300 0.073 0.000 1.084 224 R HN 0.518 nan 8.270 nan 0.000 0.487 225 H N -0.458 118.614 119.070 0.003 0.000 2.934 225 H HA 0.314 4.870 4.556 -0.001 0.000 0.340 225 H C -0.982 174.254 175.328 -0.153 0.000 1.008 225 H CA -0.824 55.185 56.048 -0.066 0.000 1.317 225 H CB 1.439 31.144 29.762 -0.095 0.000 1.670 225 H HN 0.452 nan 8.280 nan 0.000 0.516 226 R N 3.033 123.387 120.500 -0.244 0.000 2.316 226 R HA 0.328 4.667 4.340 -0.001 0.000 0.314 226 R C -1.127 175.039 176.300 -0.224 0.000 1.069 226 R CA -0.587 55.282 56.100 -0.384 0.000 0.959 226 R CB 0.231 29.972 30.300 -0.931 0.000 0.987 226 R HN 0.487 nan 8.270 nan 0.000 0.446 227 L N 4.439 125.570 121.223 -0.153 0.000 2.346 227 L HA 0.465 4.805 4.340 -0.001 0.000 0.276 227 L C -0.778 176.037 176.870 -0.090 0.000 1.006 227 L CA -0.491 54.259 54.840 -0.150 0.000 0.817 227 L CB 1.748 43.706 42.059 -0.169 0.000 1.272 227 L HN 0.619 nan 8.230 nan 0.000 0.421 228 R N 5.969 126.431 120.500 -0.063 0.000 2.278 228 R HA 0.531 4.871 4.340 -0.001 0.000 0.322 228 R C -0.952 175.363 176.300 0.025 0.000 1.058 228 R CA -0.304 55.780 56.100 -0.026 0.000 0.991 228 R CB 0.468 30.744 30.300 -0.041 0.000 1.140 228 R HN 0.553 nan 8.270 nan 0.000 0.518 229 I N 4.100 124.705 120.570 0.059 0.000 2.440 229 I HA 0.324 4.494 4.170 -0.001 0.000 0.294 229 I C -0.430 175.665 176.117 -0.036 0.000 0.995 229 I CA -0.767 60.590 61.300 0.095 0.000 1.306 229 I CB 0.908 39.013 38.000 0.176 0.000 1.407 229 I HN 0.236 nan 8.210 nan 0.000 0.501 230 L N 4.969 126.109 121.223 -0.137 0.000 2.376 230 L HA 0.492 4.832 4.340 -0.001 0.000 0.258 230 L C -0.465 176.207 176.870 -0.330 0.000 1.013 230 L CA -0.636 54.012 54.840 -0.319 0.000 0.822 230 L CB 1.256 43.014 42.059 -0.503 0.000 1.388 230 L HN 0.401 nan 8.230 nan 0.000 0.413 231 N N -0.137 118.291 118.700 -0.454 0.000 2.518 231 N HA 0.295 5.034 4.740 -0.001 0.000 0.254 231 N C 0.046 175.110 175.510 -0.744 0.000 0.979 231 N CA -0.200 52.611 53.050 -0.398 0.000 0.930 231 N CB 1.201 39.478 38.487 -0.351 0.000 1.152 231 N HN 0.750 nan 8.380 nan 0.000 0.505 232 T N -0.902 113.244 114.554 -0.680 0.000 3.244 232 T HA 0.249 4.598 4.350 -0.001 0.000 0.254 232 T C 0.557 175.174 174.700 -0.138 0.000 1.024 232 T CA -0.378 61.211 62.100 -0.852 0.000 0.920 232 T CB -0.257 68.181 68.868 -0.716 0.000 1.042 232 T HN 0.148 nan 8.240 nan 0.000 0.572 233 S N 2.156 117.787 115.700 -0.116 0.000 2.614 233 S HA 0.291 4.761 4.470 -0.001 0.000 0.265 233 S C 1.794 176.451 174.600 0.095 0.000 1.303 233 S CA -0.099 58.094 58.200 -0.012 0.000 1.000 233 S CB 1.144 64.235 63.200 -0.182 0.000 0.935 233 S HN 0.703 nan 8.310 nan 0.000 0.551 234 T N -1.405 113.117 114.554 -0.054 0.000 3.043 234 T HA 0.131 4.481 4.350 -0.001 0.000 0.263 234 T C 1.006 175.455 174.700 -0.418 0.000 1.094 234 T CA 0.698 62.595 62.100 -0.339 0.000 1.127 234 T CB 0.069 68.499 68.868 -0.729 0.000 0.905 234 T HN 0.628 nan 8.240 nan 0.000 0.490 235 E N 0.553 120.628 120.200 -0.208 0.000 2.662 235 E HA 0.095 4.445 4.350 -0.001 0.000 0.205 235 E C -0.370 176.212 176.600 -0.030 0.000 1.003 235 E CA -0.181 56.128 56.400 -0.151 0.000 1.685 235 E CB -0.024 29.640 29.700 -0.061 0.000 2.386 235 E HN 0.475 nan 8.360 nan 0.000 1.092 236 N N 1.344 120.011 118.700 -0.055 0.000 2.357 236 N HA -0.021 4.719 4.740 -0.001 0.000 0.257 236 N C -0.769 174.397 175.510 -0.574 0.000 1.250 236 N CA 0.416 53.362 53.050 -0.173 0.000 0.862 236 N CB 0.232 38.632 38.487 -0.145 0.000 1.066 236 N HN 0.146 nan 8.380 nan 0.000 0.468 237 H N 1.653 120.446 119.070 -0.462 0.000 2.499 237 H HA 0.457 5.013 4.556 -0.000 0.000 0.340 237 H C -0.733 174.177 175.328 -0.698 0.000 1.148 237 H CA -0.192 55.446 56.048 -0.683 0.000 1.215 237 H CB 0.644 30.229 29.762 -0.294 0.000 1.529 237 H HN 0.312 nan 8.280 nan 0.000 0.510 238 F N 0.076 119.756 119.950 -0.449 0.000 2.579 238 F HA 0.467 4.993 4.527 -0.000 0.000 0.324 238 F C 0.030 175.523 175.800 -0.512 0.000 1.058 238 F CA -0.925 56.749 58.000 -0.542 0.000 0.944 238 F CB 1.639 40.354 39.000 -0.476 0.000 1.245 238 F HN 0.360 nan 8.300 nan 0.000 0.477 239 Q N 1.400 121.094 119.800 -0.177 0.000 2.340 239 Q HA 0.721 5.061 4.340 -0.001 0.000 0.268 239 Q C -1.317 174.550 176.000 -0.222 0.000 1.031 239 Q CA -0.879 54.842 55.803 -0.136 0.000 0.804 239 Q CB 2.915 31.667 28.738 0.024 0.000 1.286 239 Q HN 0.612 nan 8.270 nan 0.000 0.448 240 V N -0.764 119.007 119.914 -0.238 0.000 3.040 240 V HA 1.000 5.120 4.120 -0.001 0.000 0.312 240 V C -0.816 175.042 176.094 -0.394 0.000 1.115 240 V CA -0.604 61.454 62.300 -0.403 0.000 0.998 240 V CB 2.039 33.633 31.823 -0.381 0.000 1.042 240 V HN 0.861 nan 8.190 nan 0.000 0.433 241 S N 2.200 117.524 115.700 -0.626 0.000 2.578 241 S HA 0.762 5.231 4.470 -0.001 0.000 0.272 241 S C -1.655 172.642 174.600 -0.504 0.000 1.145 241 S CA -0.714 57.248 58.200 -0.396 0.000 0.835 241 S CB 1.570 64.647 63.200 -0.205 0.000 1.104 241 S HN 1.717 nan 8.310 nan 0.000 0.458 242 L N 1.864 122.940 121.223 -0.245 0.000 2.372 242 L HA 0.631 4.971 4.340 -0.001 0.000 0.274 242 L C -0.903 175.955 176.870 -0.020 0.000 0.988 242 L CA -0.602 54.138 54.840 -0.167 0.000 0.833 242 L CB 1.739 43.653 42.059 -0.242 0.000 1.236 242 L HN 0.748 nan 8.230 nan 0.000 0.410 243 V N 6.834 126.799 119.914 0.086 0.000 2.475 243 V HA 0.111 4.230 4.120 -0.001 0.000 0.292 243 V C 0.926 177.145 176.094 0.209 0.000 1.003 243 V CA 0.541 62.944 62.300 0.171 0.000 1.120 243 V CB -0.033 31.961 31.823 0.285 0.000 0.937 243 V HN 1.005 nan 8.190 nan 0.000 0.476 244 N N 2.550 121.309 118.700 0.099 0.000 3.003 244 N HA -0.154 4.586 4.740 -0.001 0.000 0.237 244 N C -0.366 174.993 175.510 -0.252 0.000 0.969 244 N CA 0.969 54.003 53.050 -0.027 0.000 0.941 244 N CB -1.161 37.336 38.487 0.018 0.000 1.098 244 N HN 0.933 nan 8.380 nan 0.000 0.563 245 H N -1.166 117.811 119.070 -0.156 0.000 2.894 245 H HA 0.461 5.017 4.556 -0.001 0.000 0.367 245 H C 0.086 175.356 175.328 -0.097 0.000 1.144 245 H CA 0.070 56.029 56.048 -0.148 0.000 1.180 245 H CB 1.360 31.001 29.762 -0.202 0.000 1.758 245 H HN 0.112 nan 8.280 nan 0.000 0.541 246 T N 0.143 114.718 114.554 0.035 0.000 2.874 246 T HA 0.602 4.951 4.350 -0.001 0.000 0.281 246 T C 0.111 174.824 174.700 0.022 0.000 0.994 246 T CA -0.897 61.211 62.100 0.013 0.000 1.015 246 T CB 0.863 69.730 68.868 -0.000 0.000 1.028 246 T HN 0.398 nan 8.240 nan 0.000 0.523 247 M N 1.486 121.086 119.600 -0.000 0.000 2.326 247 M HA 0.335 4.814 4.480 -0.001 0.000 0.306 247 M C -0.760 175.538 176.300 -0.003 0.000 1.054 247 M CA -0.616 54.684 55.300 -0.000 0.000 0.922 247 M CB 2.643 35.233 32.600 -0.016 0.000 1.632 247 M HN 0.640 nan 8.290 nan 0.000 0.436 248 T N 2.759 117.321 114.554 0.014 0.000 2.781 248 T HA 0.341 4.690 4.350 -0.001 0.000 0.305 248 T C -0.033 174.681 174.700 0.023 0.000 1.001 248 T CA -0.488 61.624 62.100 0.020 0.000 0.950 248 T CB 0.389 69.280 68.868 0.038 0.000 0.955 248 T HN 0.378 nan 8.240 nan 0.000 0.471 249 V N 6.187 126.106 119.914 0.008 0.000 2.450 249 V HA 0.087 4.207 4.120 -0.001 0.000 0.281 249 V C 1.458 177.597 176.094 0.074 0.000 1.019 249 V CA 0.230 62.551 62.300 0.036 0.000 1.062 249 V CB -0.291 31.541 31.823 0.015 0.000 0.979 249 V HN 0.881 nan 8.190 nan 0.000 0.477 250 I N 2.187 122.807 120.570 0.083 0.000 3.956 250 I HA 0.753 4.923 4.170 -0.001 0.000 0.333 250 I C 0.586 176.750 176.117 0.079 0.000 1.302 250 I CA 0.134 61.487 61.300 0.088 0.000 1.122 250 I CB 0.212 38.272 38.000 0.101 0.000 1.013 250 I HN 0.553 nan 8.210 nan 0.000 0.405 251 A N 1.091 123.967 122.820 0.094 0.000 2.567 251 A HA 0.850 5.169 4.320 -0.001 0.000 0.291 251 A C -1.648 175.970 177.584 0.058 0.000 1.048 251 A CA -0.146 51.915 52.037 0.040 0.000 0.661 251 A CB 0.743 19.723 19.000 -0.034 0.000 1.288 251 A HN 0.443 nan 8.150 nan 0.000 0.424 252 A N 1.357 124.144 122.820 -0.056 0.000 2.398 252 A HA 0.773 5.092 4.320 -0.001 0.000 0.301 252 A C -0.053 177.367 177.584 -0.273 0.000 1.041 252 A CA 0.349 52.231 52.037 -0.259 0.000 0.711 252 A CB 0.431 19.321 19.000 -0.183 0.000 1.240 252 A HN 1.488 nan 8.150 nan 0.000 0.420 253 D N 0.243 120.434 120.400 -0.348 0.000 3.321 253 D HA -0.246 4.394 4.640 -0.001 0.000 0.178 253 D C 0.395 176.557 176.300 -0.230 0.000 1.208 253 D CA 1.815 55.663 54.000 -0.254 0.000 1.074 253 D CB -0.430 40.245 40.800 -0.208 0.000 0.560 253 D HN 0.649 nan 8.370 nan 0.000 0.618 254 M N 0.671 120.122 119.600 -0.248 0.000 3.123 254 M HA 0.339 4.819 4.480 -0.001 0.000 0.283 254 M C -1.043 175.003 176.300 -0.423 0.000 1.191 254 M CA -0.017 55.081 55.300 -0.336 0.000 1.012 254 M CB 0.481 32.856 32.600 -0.375 0.000 1.247 254 M HN 0.072 nan 8.290 nan 0.000 0.542 255 V N 1.686 121.423 119.914 -0.295 0.000 2.419 255 V HA 0.399 4.519 4.120 -0.001 0.000 0.287 255 V C -2.339 173.664 176.094 -0.151 0.000 1.017 255 V CA -1.689 60.475 62.300 -0.226 0.000 0.844 255 V CB 1.539 33.322 31.823 -0.067 0.000 1.011 255 V HN 0.300 nan 8.190 nan 0.000 0.429 256 P HA 0.198 nan 4.420 nan 0.000 0.266 256 P C -0.639 176.680 177.300 0.032 0.000 1.195 256 P CA 0.240 63.317 63.100 -0.039 0.000 0.768 256 P CB 0.744 32.447 31.700 0.004 0.000 0.838 257 V N -0.177 119.771 119.914 0.057 0.000 2.962 257 V HA 0.525 4.645 4.120 -0.001 0.000 0.313 257 V C -0.151 175.989 176.094 0.078 0.000 1.099 257 V CA -1.292 61.052 62.300 0.074 0.000 0.971 257 V CB 1.844 33.719 31.823 0.086 0.000 1.028 257 V HN 0.293 nan 8.190 nan 0.000 0.430 258 N N 1.877 120.621 118.700 0.074 0.000 2.294 258 N HA 0.164 4.904 4.740 -0.001 0.000 0.248 258 N C 0.568 176.117 175.510 0.066 0.000 1.242 258 N CA 0.832 53.922 53.050 0.068 0.000 0.848 258 N CB 0.778 39.301 38.487 0.060 0.000 1.084 258 N HN 1.293 nan 8.380 nan 0.000 0.457 259 A N 2.607 125.465 122.820 0.063 0.000 2.573 259 A HA 0.017 4.336 4.320 -0.001 0.000 0.250 259 A C 0.521 178.133 177.584 0.047 0.000 1.049 259 A CA 0.572 52.643 52.037 0.058 0.000 0.767 259 A CB -0.307 18.726 19.000 0.055 0.000 0.965 259 A HN 0.743 nan 8.150 nan 0.000 0.514 260 M N 4.123 123.747 119.600 0.041 0.000 2.073 260 M HA 0.197 4.677 4.480 -0.001 0.000 0.261 260 M C -0.758 175.549 176.300 0.012 0.000 0.928 260 M CA -0.094 55.223 55.300 0.028 0.000 1.006 260 M CB 1.222 33.841 32.600 0.032 0.000 1.893 260 M HN 0.658 nan 8.290 nan 0.000 0.440 261 T N 3.914 118.475 114.554 0.012 0.000 2.884 261 T HA 0.542 4.892 4.350 -0.001 0.000 0.298 261 T C -0.306 174.391 174.700 -0.005 0.000 0.998 261 T CA -0.336 61.766 62.100 0.005 0.000 1.124 261 T CB 0.705 69.579 68.868 0.010 0.000 0.931 261 T HN 0.583 nan 8.240 nan 0.000 0.531 262 V N 0.495 120.400 119.914 -0.015 0.000 3.147 262 V HA 0.528 4.648 4.120 -0.001 0.000 0.306 262 V C -0.094 175.991 176.094 -0.015 0.000 1.209 262 V CA -0.929 61.361 62.300 -0.016 0.000 1.023 262 V CB 2.338 34.141 31.823 -0.034 0.000 1.059 262 V HN 0.604 nan 8.190 nan 0.000 0.435 263 D N 1.393 121.791 120.400 -0.004 0.000 2.213 263 D HA 0.113 4.753 4.640 -0.001 0.000 0.205 263 D C 1.025 177.319 176.300 -0.010 0.000 0.961 263 D CA 1.777 55.773 54.000 -0.007 0.000 0.853 263 D CB 0.603 41.401 40.800 -0.003 0.000 0.967 263 D HN 0.910 nan 8.370 nan 0.000 0.496 264 S N -0.903 114.814 115.700 0.028 0.000 2.671 264 S HA 0.704 5.174 4.470 -0.001 0.000 0.277 264 S C -1.057 173.510 174.600 -0.056 0.000 1.165 264 S CA -0.940 57.271 58.200 0.019 0.000 0.822 264 S CB 2.197 65.495 63.200 0.164 0.000 1.150 264 S HN 0.013 nan 8.310 nan 0.000 0.479 265 L N 1.040 122.134 121.223 -0.215 0.000 2.455 265 L HA 0.569 4.908 4.340 -0.001 0.000 0.264 265 L C -1.474 175.126 176.870 -0.450 0.000 0.968 265 L CA -0.673 53.933 54.840 -0.390 0.000 0.827 265 L CB 2.193 44.022 42.059 -0.384 0.000 1.317 265 L HN 0.831 nan 8.230 nan 0.000 0.407 266 F N 3.794 123.332 119.950 -0.685 0.000 2.438 266 F HA 0.504 5.031 4.527 -0.000 0.000 0.356 266 F C -0.837 174.962 175.800 -0.003 0.000 1.099 266 F CA -0.186 57.633 58.000 -0.301 0.000 1.185 266 F CB 0.608 39.480 39.000 -0.213 0.000 1.115 266 F HN 0.177 nan 8.300 nan 0.000 0.526 267 L N 6.983 127.937 121.223 -0.447 0.000 2.319 267 L HA 0.579 4.918 4.340 -0.001 0.000 0.281 267 L C 0.431 176.861 176.870 -0.733 0.000 1.005 267 L CA -0.341 54.318 54.840 -0.301 0.000 0.828 267 L CB 1.080 43.068 42.059 -0.119 0.000 1.227 267 L HN 0.796 nan 8.230 nan 0.000 0.415 268 A N 3.249 125.801 122.820 -0.446 0.000 2.275 268 A HA 0.420 4.739 4.320 -0.001 0.000 0.276 268 A C 0.166 177.430 177.584 -0.532 0.000 1.232 268 A CA -0.304 51.517 52.037 -0.361 0.000 0.814 268 A CB 0.133 19.217 19.000 0.141 0.000 1.145 268 A HN 0.400 nan 8.150 nan 0.000 0.508 269 V N 0.153 119.678 119.914 -0.648 0.000 2.555 269 V HA 0.466 4.586 4.120 -0.001 0.000 0.286 269 V C 1.582 177.451 176.094 -0.374 0.000 1.044 269 V CA 1.335 63.328 62.300 -0.511 0.000 1.026 269 V CB -0.008 31.579 31.823 -0.393 0.000 0.981 269 V HN 1.886 nan 8.190 nan 0.000 0.480 270 G N 3.705 112.253 108.800 -0.419 0.000 2.328 270 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.256 270 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.256 270 G C 0.403 175.103 174.900 -0.334 0.000 1.014 270 G CA 0.487 45.414 45.100 -0.289 0.000 0.620 270 G HN 0.645 nan 8.290 nan 0.000 0.530 271 Q N 0.157 119.773 119.800 -0.306 0.000 2.432 271 Q HA 0.544 4.884 4.340 -0.001 0.000 0.264 271 Q C 0.578 176.350 176.000 -0.379 0.000 1.035 271 Q CA 0.460 56.086 55.803 -0.295 0.000 0.908 271 Q CB 0.336 28.935 28.738 -0.231 0.000 1.280 271 Q HN 0.529 nan 8.270 nan 0.000 0.455 272 R N 0.490 120.751 120.500 -0.398 0.000 2.799 272 R HA 0.580 4.920 4.340 -0.001 0.000 0.270 272 R C -1.720 174.359 176.300 -0.369 0.000 1.010 272 R CA -0.615 55.292 56.100 -0.323 0.000 0.916 272 R CB 1.312 31.443 30.300 -0.281 0.000 1.228 272 R HN 0.474 nan 8.270 nan 0.000 0.469 273 Y N -0.439 119.807 120.300 -0.091 0.000 2.442 273 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 273 Y C -1.113 174.758 175.900 -0.049 0.000 1.100 273 Y CA -0.991 57.076 58.100 -0.055 0.000 1.034 273 Y CB 2.207 40.648 38.460 -0.032 0.000 1.285 273 Y HN 0.525 nan 8.280 nan 0.000 0.440 274 D N 2.449 122.919 120.400 0.116 0.000 2.175 274 D HA 0.673 5.312 4.640 -0.001 0.000 0.248 274 D C -0.806 175.525 176.300 0.051 0.000 1.047 274 D CA -0.137 53.888 54.000 0.041 0.000 0.883 274 D CB 1.685 42.480 40.800 -0.010 0.000 1.180 274 D HN 0.320 nan 8.370 nan 0.000 0.438 275 V N -1.370 118.550 119.914 0.009 0.000 3.114 275 V HA 0.703 4.823 4.120 -0.001 0.000 0.308 275 V C -0.667 175.417 176.094 -0.015 0.000 1.168 275 V CA -0.989 61.319 62.300 0.013 0.000 1.015 275 V CB 1.697 33.532 31.823 0.020 0.000 1.050 275 V HN 0.237 nan 8.190 nan 0.000 0.433 276 V N 3.120 123.044 119.914 0.016 0.000 2.532 276 V HA 0.594 4.713 4.120 -0.001 0.000 0.295 276 V C -0.189 175.936 176.094 0.052 0.000 1.041 276 V CA -0.456 61.865 62.300 0.035 0.000 0.926 276 V CB 1.551 33.422 31.823 0.081 0.000 0.992 276 V HN 0.742 nan 8.190 nan 0.000 0.457 277 I N 2.545 123.162 120.570 0.078 0.000 2.436 277 I HA 0.440 4.609 4.170 -0.001 0.000 0.289 277 I C -1.202 175.015 176.117 0.167 0.000 1.010 277 I CA -0.526 60.823 61.300 0.081 0.000 1.098 277 I CB 1.986 39.987 38.000 0.001 0.000 1.266 277 I HN 0.533 nan 8.210 nan 0.000 0.434 278 D N 5.186 125.680 120.400 0.157 0.000 2.359 278 D HA 0.365 5.005 4.640 -0.001 0.000 0.230 278 D C 0.513 176.926 176.300 0.188 0.000 1.118 278 D CA -0.137 53.961 54.000 0.164 0.000 0.844 278 D CB 1.819 42.680 40.800 0.101 0.000 1.059 278 D HN 0.611 nan 8.370 nan 0.000 0.493 279 A N 2.131 125.060 122.820 0.182 0.000 3.030 279 A HA 0.266 4.586 4.320 -0.001 0.000 0.273 279 A C 0.918 178.650 177.584 0.246 0.000 1.841 279 A CA -0.182 51.918 52.037 0.105 0.000 1.479 279 A CB -0.509 18.355 19.000 -0.227 0.000 1.048 279 A HN 0.428 nan 8.150 nan 0.000 0.612 280 S N 0.264 116.102 115.700 0.229 0.000 2.629 280 S HA 0.235 4.705 4.470 -0.001 0.000 0.236 280 S C 0.708 175.348 174.600 0.067 0.000 1.010 280 S CA -0.639 57.643 58.200 0.136 0.000 0.981 280 S CB 0.413 63.648 63.200 0.057 0.000 0.919 280 S HN 0.608 nan 8.310 nan 0.000 0.514 281 R N 1.736 122.263 120.500 0.046 0.000 2.602 281 R HA 0.733 5.073 4.340 -0.001 0.000 0.237 281 R C 0.241 176.476 176.300 -0.109 0.000 1.219 281 R CA -0.372 55.652 56.100 -0.126 0.000 1.121 281 R CB -0.306 29.735 30.300 -0.431 0.000 1.408 281 R HN 0.243 nan 8.270 nan 0.000 0.559 282 A N 2.087 124.837 122.820 -0.115 0.000 2.524 282 A HA 0.254 4.573 4.320 -0.001 0.000 0.250 282 A C -1.976 175.376 177.584 -0.386 0.000 1.078 282 A CA -0.965 50.984 52.037 -0.147 0.000 0.761 282 A CB -0.627 18.330 19.000 -0.071 0.000 1.012 282 A HN 0.276 nan 8.150 nan 0.000 0.500 283 P HA 0.130 nan 4.420 nan 0.000 0.258 283 P C -0.391 176.693 177.300 -0.360 0.000 1.172 283 P CA 1.014 63.843 63.100 -0.451 0.000 0.762 283 P CB 0.383 32.014 31.700 -0.115 0.000 0.764 284 D N 2.094 122.260 120.400 -0.390 0.000 2.871 284 D HA 0.109 4.748 4.640 -0.001 0.000 0.330 284 D C -1.399 174.693 176.300 -0.347 0.000 1.364 284 D CA -0.472 53.275 54.000 -0.423 0.000 0.759 284 D CB 0.672 41.065 40.800 -0.677 0.000 1.325 284 D HN 0.111 nan 8.370 nan 0.000 0.452 285 N N 0.843 119.274 118.700 -0.449 0.000 2.408 285 N HA 0.380 5.120 4.740 -0.001 0.000 0.280 285 N C -1.092 174.069 175.510 -0.582 0.000 1.002 285 N CA -0.148 52.723 53.050 -0.299 0.000 0.907 285 N CB 1.049 39.384 38.487 -0.253 0.000 1.161 285 N HN 0.239 nan 8.380 nan 0.000 0.488 286 Y N 0.000 120.261 120.300 -0.065 0.000 2.393 286 Y HA 0.320 4.870 4.550 -0.001 0.000 0.341 286 Y C 0.080 175.965 175.900 -0.025 0.000 0.988 286 Y CA -0.884 57.179 58.100 -0.061 0.000 1.078 286 Y CB 1.212 39.708 38.460 0.059 0.000 1.203 286 Y HN 0.427 nan 8.280 nan 0.000 0.453 287 W N 3.391 124.779 121.300 0.147 0.000 2.181 287 W HA 0.188 4.848 4.660 -0.000 0.000 0.335 287 W C -0.435 176.141 176.519 0.095 0.000 1.310 287 W CA -0.358 57.041 57.345 0.091 0.000 1.226 287 W CB 0.404 29.875 29.460 0.017 0.000 1.155 287 W HN 0.403 nan 8.180 nan 0.000 0.565 288 F N 4.567 124.698 119.950 0.301 0.000 2.325 288 F HA 0.367 4.894 4.527 -0.001 0.000 0.369 288 F C -0.572 175.279 175.800 0.085 0.000 1.095 288 F CA -1.017 57.020 58.000 0.062 0.000 1.082 288 F CB -0.025 38.954 39.000 -0.034 0.000 1.289 288 F HN 0.208 nan 8.300 nan 0.000 0.462 289 N N 3.985 122.494 118.700 -0.319 0.000 2.456 289 N HA 0.451 5.191 4.740 -0.001 0.000 0.288 289 N C -1.222 174.026 175.510 -0.437 0.000 1.059 289 N CA -0.553 52.341 53.050 -0.259 0.000 0.946 289 N CB 1.972 40.349 38.487 -0.182 0.000 1.150 289 N HN 0.266 nan 8.380 nan 0.000 0.479 290 V N 1.609 121.342 119.914 -0.301 0.000 2.406 290 V HA 0.433 4.553 4.120 -0.001 0.000 0.272 290 V C 0.739 176.625 176.094 -0.348 0.000 1.043 290 V CA -0.402 61.656 62.300 -0.403 0.000 0.915 290 V CB 0.438 31.966 31.823 -0.491 0.000 0.988 290 V HN 0.900 nan 8.190 nan 0.000 0.466 291 T N 1.730 116.057 114.554 -0.378 0.000 2.718 291 T HA 0.866 5.216 4.350 -0.001 0.000 0.267 291 T C -0.905 173.535 174.700 -0.435 0.000 0.957 291 T CA -0.672 61.305 62.100 -0.206 0.000 1.025 291 T CB 1.884 70.722 68.868 -0.050 0.000 1.355 291 T HN 0.216 nan 8.240 nan 0.000 0.572 292 F N -1.779 118.216 119.950 0.075 0.000 2.713 292 F HA 0.745 5.271 4.527 -0.001 0.000 0.311 292 F C 0.576 176.441 175.800 0.107 0.000 1.141 292 F CA -0.381 57.681 58.000 0.103 0.000 0.939 292 F CB 2.132 41.149 39.000 0.027 0.000 1.325 292 F HN 1.136 nan 8.300 nan 0.000 0.453 293 G N -0.628 108.373 108.800 0.336 0.000 2.677 293 G HA2 0.464 4.423 3.960 -0.001 0.000 0.283 293 G HA3 0.464 4.423 3.960 -0.001 0.000 0.283 293 G C 0.197 175.194 174.900 0.161 0.000 1.221 293 G CA -0.085 45.138 45.100 0.205 0.000 0.851 293 G HN 1.481 nan 8.290 nan 0.000 0.504 294 G N -0.311 108.543 108.800 0.089 0.000 2.395 294 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.300 294 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.300 294 G C 0.497 175.434 174.900 0.061 0.000 0.998 294 G CA 1.268 46.395 45.100 0.045 0.000 1.046 294 G HN 1.522 nan 8.290 nan 0.000 0.513 295 Q N -2.584 117.257 119.800 0.069 0.000 2.386 295 Q HA -0.049 4.291 4.340 -0.001 0.000 0.361 295 Q C 1.546 177.597 176.000 0.086 0.000 1.325 295 Q CA 1.827 57.673 55.803 0.072 0.000 1.097 295 Q CB -1.859 26.908 28.738 0.048 0.000 1.303 295 Q HN 2.246 nan 8.270 nan 0.000 0.377 296 A N -1.406 121.479 122.820 0.109 0.000 2.799 296 A HA -0.258 4.062 4.320 -0.001 0.000 0.274 296 A C 1.602 179.250 177.584 0.106 0.000 1.393 296 A CA 1.618 53.727 52.037 0.120 0.000 0.909 296 A CB -1.854 17.283 19.000 0.230 0.000 1.012 296 A HN 1.352 nan 8.150 nan 0.000 0.653 297 A N -1.318 121.545 122.820 0.072 0.000 2.167 297 A HA 0.208 4.528 4.320 -0.001 0.000 0.214 297 A C 1.728 179.322 177.584 0.016 0.000 1.151 297 A CA 1.787 53.856 52.037 0.053 0.000 0.735 297 A CB -0.927 18.093 19.000 0.032 0.000 0.802 297 A HN 2.143 nan 8.150 nan 0.000 0.467 298 c N -3.690 114.908 118.600 -0.004 0.000 3.226 298 c HA 0.646 5.216 4.570 -0.001 0.000 0.258 298 c C 0.840 174.964 174.090 0.057 0.000 1.688 298 c CA -0.326 55.924 56.329 -0.132 0.000 1.774 298 c CB -0.762 41.454 42.510 -0.489 0.000 3.167 298 c HN 1.628 nan 8.230 nan 0.000 0.509 299 G N -0.529 108.303 108.800 0.054 0.000 2.381 299 G HA2 0.509 4.469 3.960 -0.001 0.000 0.672 299 G HA3 0.509 4.469 3.960 -0.001 0.000 0.672 299 G C -0.449 174.101 174.900 -0.584 0.000 1.324 299 G CA -0.057 45.005 45.100 -0.064 0.000 0.975 299 G HN 1.898 nan 8.290 nan 0.000 0.593 300 G N -1.586 106.413 108.800 -1.335 0.000 2.650 300 G HA2 0.886 4.846 3.960 -0.001 0.000 0.310 300 G HA3 0.886 4.846 3.960 -0.001 0.000 0.310 300 G C -0.945 172.860 174.900 -1.825 0.000 1.270 300 G CA 0.913 44.492 45.100 -2.534 0.000 0.810 300 G HN 1.927 nan 8.290 nan 0.000 0.493 301 S N -1.261 113.594 115.700 -1.409 0.000 2.541 301 S HA 0.454 4.924 4.470 -0.001 0.000 0.280 301 S C 1.083 175.684 174.600 0.001 0.000 1.112 301 S CA -0.688 57.269 58.200 -0.406 0.000 0.925 301 S CB 1.392 64.529 63.200 -0.106 0.000 1.067 301 S HN 0.537 nan 8.310 nan 0.000 0.479 302 L N 2.280 123.589 121.223 0.143 0.000 2.353 302 L HA 0.003 4.343 4.340 -0.001 0.000 0.220 302 L C 1.084 177.976 176.870 0.036 0.000 1.133 302 L CA 0.549 55.459 54.840 0.117 0.000 0.798 302 L CB -0.492 41.615 42.059 0.079 0.000 0.922 302 L HN 0.547 nan 8.230 nan 0.000 0.445 303 N N 1.012 119.716 118.700 0.006 0.000 2.430 303 N HA 0.075 4.814 4.740 -0.001 0.000 0.265 303 N C -1.907 173.565 175.510 -0.064 0.000 1.100 303 N CA -1.940 51.100 53.050 -0.018 0.000 0.961 303 N CB 1.276 39.757 38.487 -0.010 0.000 1.075 303 N HN -0.139 nan 8.380 nan 0.000 0.478 304 P HA 0.114 nan 4.420 nan 0.000 0.257 304 P C -0.766 176.193 177.300 -0.569 0.000 1.241 304 P CA 0.724 63.616 63.100 -0.348 0.000 0.816 304 P CB 0.218 31.646 31.700 -0.453 0.000 1.150 305 H N -1.207 117.861 119.070 -0.004 0.000 2.514 305 H HA 0.345 4.901 4.556 -0.000 0.000 0.226 305 H C -2.637 172.641 175.328 -0.083 0.000 1.421 305 H CA -2.031 53.981 56.048 -0.060 0.000 1.394 305 H CB 0.082 29.752 29.762 -0.152 0.000 1.701 305 H HN 0.075 nan 8.280 nan 0.000 0.515 306 P HA 0.201 nan 4.420 nan 0.000 0.265 306 P C -0.372 176.924 177.300 -0.008 0.000 1.187 306 P CA 0.337 63.429 63.100 -0.012 0.000 0.766 306 P CB 0.932 32.588 31.700 -0.073 0.000 0.820 307 A N 1.883 124.752 122.820 0.081 0.000 2.594 307 A HA 0.777 5.097 4.320 -0.001 0.000 0.295 307 A C -1.275 176.565 177.584 0.426 0.000 1.071 307 A CA -0.389 51.759 52.037 0.186 0.000 0.685 307 A CB 1.453 20.424 19.000 -0.049 0.000 1.285 307 A HN 0.509 nan 8.150 nan 0.000 0.405 308 A N 0.582 123.732 122.820 0.551 0.000 2.313 308 A HA 0.891 5.210 4.320 -0.001 0.000 0.323 308 A C -0.621 177.351 177.584 0.646 0.000 1.133 308 A CA -0.619 51.779 52.037 0.602 0.000 0.847 308 A CB 0.667 20.040 19.000 0.621 0.000 1.308 308 A HN 0.872 nan 8.150 nan 0.000 0.475 309 I N 0.272 121.124 120.570 0.470 0.000 2.404 309 I HA 0.394 4.564 4.170 -0.001 0.000 0.293 309 I C -1.456 174.905 176.117 0.406 0.000 0.992 309 I CA -0.211 61.264 61.300 0.293 0.000 1.149 309 I CB 1.377 39.379 38.000 0.002 0.000 1.315 309 I HN 0.381 nan 8.210 nan 0.000 0.446 310 F N 4.689 124.690 119.950 0.086 0.000 2.426 310 F HA 0.380 4.907 4.527 -0.000 0.000 0.348 310 F C 0.286 176.174 175.800 0.146 0.000 1.124 310 F CA -0.529 57.502 58.000 0.053 0.000 1.008 310 F CB 0.870 39.859 39.000 -0.018 0.000 1.139 310 F HN 0.423 nan 8.300 nan 0.000 0.452 311 H N 4.173 123.302 119.070 0.097 0.000 2.489 311 H HA 0.292 4.847 4.556 -0.001 0.000 0.343 311 H C -1.267 174.160 175.328 0.165 0.000 1.086 311 H CA -0.607 55.504 56.048 0.104 0.000 1.198 311 H CB 1.061 30.819 29.762 -0.006 0.000 1.490 311 H HN 0.438 nan 8.280 nan 0.000 0.504 312 Y N 1.878 121.949 120.300 -0.382 0.000 2.346 312 Y HA 0.237 4.786 4.550 -0.001 0.000 0.330 312 Y C 0.642 176.246 175.900 -0.493 0.000 1.178 312 Y CA -0.195 57.734 58.100 -0.284 0.000 1.331 312 Y CB 0.876 39.269 38.460 -0.112 0.000 1.253 312 Y HN 0.673 nan 8.280 nan 0.000 0.529 313 A N 2.011 124.781 122.820 -0.084 0.000 2.444 313 A HA 0.478 4.797 4.320 -0.001 0.000 0.273 313 A C 1.178 178.763 177.584 0.001 0.000 1.136 313 A CA 0.628 52.653 52.037 -0.020 0.000 0.799 313 A CB -0.920 18.091 19.000 0.020 0.000 1.081 313 A HN 1.376 nan 8.150 nan 0.000 0.509 314 G N 0.816 109.621 108.800 0.009 0.000 2.229 314 G HA2 0.236 4.196 3.960 -0.001 0.000 0.189 314 G HA3 0.236 4.196 3.960 -0.001 0.000 0.189 314 G C 0.455 175.358 174.900 0.006 0.000 1.000 314 G CA 0.130 45.246 45.100 0.026 0.000 0.663 314 G HN 1.931 nan 8.290 nan 0.000 0.493 315 A N 1.001 123.775 122.820 -0.076 0.000 2.256 315 A HA 0.913 5.232 4.320 -0.001 0.000 0.318 315 A C -1.108 176.529 177.584 0.089 0.000 1.103 315 A CA -0.763 51.232 52.037 -0.070 0.000 0.860 315 A CB 0.833 19.718 19.000 -0.192 0.000 1.182 315 A HN 0.207 nan 8.150 nan 0.000 0.501 316 P HA 0.287 nan 4.420 nan 0.000 0.288 316 P C 0.468 177.884 177.300 0.193 0.000 1.291 316 P CA 0.210 63.365 63.100 0.092 0.000 0.766 316 P CB 0.202 31.908 31.700 0.010 0.000 1.242 317 G N -2.829 105.995 108.800 0.040 0.000 2.736 317 G HA2 0.564 4.524 3.960 -0.001 0.000 0.229 317 G HA3 0.564 4.524 3.960 -0.001 0.000 0.229 317 G C 0.138 174.990 174.900 -0.079 0.000 1.380 317 G CA -0.243 44.811 45.100 -0.077 0.000 1.040 317 G HN 0.825 nan 8.290 nan 0.000 0.568 318 G N -1.847 106.889 108.800 -0.106 0.000 2.796 318 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.226 318 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.226 318 G C -0.212 174.585 174.900 -0.172 0.000 1.381 318 G CA -0.120 44.920 45.100 -0.101 0.000 0.867 318 G HN 0.942 nan 8.290 nan 0.000 0.552 319 L N 0.947 122.053 121.223 -0.194 0.000 2.375 319 L HA 0.463 4.802 4.340 -0.001 0.000 0.271 319 L C -1.653 174.909 176.870 -0.514 0.000 1.107 319 L CA -1.808 52.797 54.840 -0.393 0.000 0.806 319 L CB 0.847 42.753 42.059 -0.254 0.000 1.146 319 L HN 0.365 nan 8.230 nan 0.000 0.447 320 P HA -0.042 nan 4.420 nan 0.000 0.266 320 P C 0.311 177.278 177.300 -0.555 0.000 1.186 320 P CA 0.315 62.827 63.100 -0.981 0.000 0.767 320 P CB 0.525 31.045 31.700 -1.965 0.000 0.820 321 T N -3.234 111.135 114.554 -0.309 0.000 2.955 321 T HA 0.088 4.438 4.350 -0.001 0.000 0.251 321 T C 0.349 175.048 174.700 -0.001 0.000 1.002 321 T CA 0.020 62.065 62.100 -0.091 0.000 0.970 321 T CB -0.103 68.705 68.868 -0.099 0.000 1.091 321 T HN 0.237 nan 8.240 nan 0.000 0.495 322 D N 2.092 122.476 120.400 -0.026 0.000 2.365 322 D HA 0.227 4.867 4.640 -0.001 0.000 0.237 322 D C 0.820 177.263 176.300 0.238 0.000 1.190 322 D CA -0.179 53.863 54.000 0.070 0.000 0.867 322 D CB 1.132 41.960 40.800 0.046 0.000 1.050 322 D HN 0.293 nan 8.370 nan 0.000 0.491 323 E N 2.039 122.375 120.200 0.227 0.000 2.333 323 E HA 0.031 4.381 4.350 -0.001 0.000 0.198 323 E C 1.237 177.918 176.600 0.136 0.000 1.007 323 E CA 0.577 57.091 56.400 0.190 0.000 0.845 323 E CB 0.027 29.749 29.700 0.038 0.000 0.766 323 E HN 0.782 nan 8.360 nan 0.000 0.507 324 G N 0.566 109.444 108.800 0.129 0.000 2.693 324 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.226 324 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.226 324 G C -0.035 174.894 174.900 0.048 0.000 1.354 324 G CA -0.254 44.903 45.100 0.095 0.000 0.873 324 G HN 0.291 nan 8.290 nan 0.000 0.562 325 T N -0.846 113.728 114.554 0.033 0.000 2.863 325 T HA 0.717 5.066 4.350 -0.001 0.000 0.285 325 T C -2.405 172.300 174.700 0.009 0.000 1.009 325 T CA -0.951 61.160 62.100 0.018 0.000 0.989 325 T CB 1.936 70.812 68.868 0.014 0.000 1.004 325 T HN 0.614 nan 8.240 nan 0.000 0.455 326 P HA 0.285 nan 4.420 nan 0.000 0.266 326 P C -2.176 175.125 177.300 0.001 0.000 1.195 326 P CA -0.783 62.323 63.100 0.010 0.000 0.768 326 P CB -0.129 31.584 31.700 0.022 0.000 0.838 327 P HA 0.071 nan 4.420 nan 0.000 0.278 327 P C -0.458 176.820 177.300 -0.036 0.000 1.258 327 P CA -0.417 62.681 63.100 -0.004 0.000 0.811 327 P CB 0.622 32.346 31.700 0.039 0.000 1.063 328 V N 1.866 121.717 119.914 -0.105 0.000 2.583 328 V HA -0.108 4.012 4.120 -0.001 0.000 0.302 328 V C 0.576 176.527 176.094 -0.238 0.000 1.033 328 V CA 0.422 62.607 62.300 -0.191 0.000 1.194 328 V CB -0.928 30.723 31.823 -0.286 0.000 0.879 328 V HN 0.603 nan 8.190 nan 0.000 0.482 329 D N 6.252 126.584 120.400 -0.114 0.000 2.536 329 D HA -0.086 4.554 4.640 -0.001 0.000 0.260 329 D C 1.182 177.398 176.300 -0.140 0.000 1.270 329 D CA 0.486 54.456 54.000 -0.050 0.000 0.934 329 D CB 0.218 41.011 40.800 -0.011 0.000 1.129 329 D HN 0.737 nan 8.370 nan 0.000 0.533 330 H N 3.750 122.834 119.070 0.023 0.000 2.556 330 H HA -0.022 4.533 4.556 -0.001 0.000 0.268 330 H C 0.556 175.785 175.328 -0.166 0.000 0.996 330 H CA 0.383 56.407 56.048 -0.041 0.000 1.157 330 H CB 0.408 30.190 29.762 0.033 0.000 1.355 330 H HN 0.551 nan 8.280 nan 0.000 0.597 331 Q N -1.177 118.612 119.800 -0.018 0.000 2.487 331 Q HA -0.176 4.164 4.340 -0.001 0.000 0.279 331 Q C 0.565 176.441 176.000 -0.205 0.000 1.228 331 Q CA 0.816 56.571 55.803 -0.080 0.000 0.873 331 Q CB -2.613 26.081 28.738 -0.074 0.000 1.260 331 Q HN 0.736 nan 8.270 nan 0.000 0.471 332 c N -1.602 116.814 118.600 -0.306 0.000 4.331 332 c HA -0.228 4.342 4.570 -0.001 0.000 0.293 332 c C 0.709 174.275 174.090 -0.873 0.000 1.436 332 c CA 0.919 56.938 56.329 -0.516 0.000 1.993 332 c CB -2.142 40.260 42.510 -0.181 0.000 1.266 332 c HN 0.506 nan 8.230 nan 0.000 0.795 333 L N 1.668 122.222 121.223 -1.114 0.000 2.376 333 L HA 0.447 4.786 4.340 -0.001 0.000 0.275 333 L C 0.242 176.801 176.870 -0.519 0.000 0.987 333 L CA -0.358 54.115 54.840 -0.611 0.000 0.828 333 L CB 1.226 43.117 42.059 -0.280 0.000 1.249 333 L HN 0.265 nan 8.230 nan 0.000 0.409 334 D N 0.604 120.943 120.400 -0.101 0.000 2.357 334 D HA 0.026 4.666 4.640 -0.001 0.000 0.242 334 D C 0.176 176.560 176.300 0.139 0.000 1.153 334 D CA -0.342 53.779 54.000 0.201 0.000 0.918 334 D CB 1.261 42.281 40.800 0.367 0.000 1.181 334 D HN 0.294 nan 8.370 nan 0.000 0.435 335 T N 0.310 114.980 114.554 0.193 0.000 2.851 335 T HA 0.228 4.578 4.350 -0.001 0.000 0.298 335 T C 0.798 175.582 174.700 0.139 0.000 0.977 335 T CA -0.576 61.606 62.100 0.138 0.000 1.126 335 T CB -0.047 68.890 68.868 0.115 0.000 0.916 335 T HN 0.360 nan 8.240 nan 0.000 0.529 336 L N 4.007 125.286 121.223 0.092 0.000 2.872 336 L HA 0.303 4.642 4.340 -0.001 0.000 0.245 336 L C 0.918 177.833 176.870 0.076 0.000 1.211 336 L CA -0.126 54.767 54.840 0.088 0.000 1.013 336 L CB 0.191 42.285 42.059 0.059 0.000 1.326 336 L HN 0.607 nan 8.230 nan 0.000 0.525 337 D N 0.124 120.570 120.400 0.077 0.000 2.340 337 D HA 0.021 4.661 4.640 -0.001 0.000 0.220 337 D C 0.868 177.211 176.300 0.073 0.000 1.039 337 D CA 0.396 54.433 54.000 0.062 0.000 0.866 337 D CB 0.430 41.259 40.800 0.048 0.000 0.913 337 D HN 0.158 nan 8.370 nan 0.000 0.523 338 V N -0.598 119.376 119.914 0.099 0.000 2.775 338 V HA 0.484 4.603 4.120 -0.001 0.000 0.299 338 V C 0.267 176.414 176.094 0.089 0.000 1.062 338 V CA -0.542 61.823 62.300 0.107 0.000 1.063 338 V CB 1.468 33.384 31.823 0.155 0.000 0.994 338 V HN -0.158 nan 8.190 nan 0.000 0.483 339 R N 3.431 123.978 120.500 0.079 0.000 2.468 339 R HA 0.486 4.825 4.340 -0.001 0.000 0.302 339 R C -2.970 173.373 176.300 0.072 0.000 1.041 339 R CA -2.439 53.703 56.100 0.069 0.000 0.899 339 R CB 1.556 31.892 30.300 0.059 0.000 1.167 339 R HN 0.545 nan 8.270 nan 0.000 0.483 340 P HA -0.072 nan 4.420 nan 0.000 0.264 340 P C 1.212 178.561 177.300 0.082 0.000 1.179 340 P CA 0.035 63.184 63.100 0.081 0.000 0.763 340 P CB 0.815 32.568 31.700 0.088 0.000 0.806 341 V N 3.219 123.188 119.914 0.091 0.000 2.282 341 V HA -0.176 3.943 4.120 -0.001 0.000 0.249 341 V C 1.212 177.364 176.094 0.097 0.000 1.057 341 V CA 1.721 64.079 62.300 0.097 0.000 1.032 341 V CB -0.298 31.593 31.823 0.114 0.000 0.645 341 V HN 0.327 nan 8.190 nan 0.000 0.447 342 V N 2.986 122.966 119.914 0.109 0.000 2.348 342 V HA 0.292 4.411 4.120 -0.001 0.000 0.270 342 V C -2.002 174.130 176.094 0.063 0.000 1.037 342 V CA -1.627 60.721 62.300 0.081 0.000 0.872 342 V CB 1.010 32.870 31.823 0.063 0.000 1.002 342 V HN 0.351 nan 8.190 nan 0.000 0.464 343 P HA 0.413 nan 4.420 nan 0.000 0.274 343 P C -0.696 176.645 177.300 0.067 0.000 1.246 343 P CA -0.510 62.625 63.100 0.058 0.000 0.795 343 P CB 0.832 32.563 31.700 0.052 0.000 1.006 344 R N 0.047 120.590 120.500 0.072 0.000 2.725 344 R HA 0.644 4.983 4.340 -0.001 0.000 0.277 344 R C -0.870 175.450 176.300 0.033 0.000 0.987 344 R CA -0.673 55.490 56.100 0.104 0.000 0.901 344 R CB 1.855 32.256 30.300 0.169 0.000 1.207 344 R HN 0.419 nan 8.270 nan 0.000 0.463 345 S N 0.601 116.316 115.700 0.026 0.000 2.538 345 S HA 0.670 5.140 4.470 -0.001 0.000 0.288 345 S C -0.400 174.117 174.600 -0.139 0.000 1.108 345 S CA -0.798 57.373 58.200 -0.049 0.000 0.971 345 S CB 2.150 65.348 63.200 -0.004 0.000 1.041 345 S HN 0.446 nan 8.310 nan 0.000 0.483 346 V N -0.138 119.612 119.914 -0.273 0.000 3.102 346 V HA 0.835 4.954 4.120 -0.001 0.000 0.312 346 V C -2.925 173.108 176.094 -0.103 0.000 1.135 346 V CA -2.734 59.373 62.300 -0.321 0.000 1.022 346 V CB 1.555 32.891 31.823 -0.811 0.000 1.056 346 V HN 0.665 nan 8.190 nan 0.000 0.436 347 P HA 0.332 nan 4.420 nan 0.000 0.280 347 P C 0.047 177.377 177.300 0.050 0.000 1.244 347 P CA -0.029 63.090 63.100 0.031 0.000 0.784 347 P CB 1.535 33.255 31.700 0.033 0.000 0.913 348 V N 0.029 119.956 119.914 0.021 0.000 2.940 348 V HA 0.191 4.310 4.120 -0.001 0.000 0.366 348 V C 0.857 176.962 176.094 0.017 0.000 1.353 348 V CA -0.344 61.968 62.300 0.020 0.000 1.232 348 V CB -0.874 30.964 31.823 0.025 0.000 1.278 348 V HN 0.426 nan 8.190 nan 0.000 0.546 349 N N 1.886 120.588 118.700 0.004 0.000 2.333 349 N HA -0.051 4.688 4.740 -0.001 0.000 0.234 349 N C 1.760 177.271 175.510 0.000 0.000 1.035 349 N CA 1.141 54.196 53.050 0.009 0.000 1.171 349 N CB -0.887 37.600 38.487 0.001 0.000 1.503 349 N HN 0.526 nan 8.380 nan 0.000 0.624 350 S N 0.441 116.118 115.700 -0.039 0.000 2.472 350 S HA -0.261 4.209 4.470 -0.001 0.000 0.296 350 S C 0.411 174.943 174.600 -0.114 0.000 1.001 350 S CA 0.534 58.685 58.200 -0.082 0.000 1.003 350 S CB -1.676 61.451 63.200 -0.122 0.000 0.688 350 S HN 0.408 nan 8.310 nan 0.000 0.509 351 F N 2.072 121.885 119.950 -0.227 0.000 2.506 351 F HA 0.457 4.984 4.527 -0.001 0.000 0.371 351 F C -0.048 175.596 175.800 -0.260 0.000 1.078 351 F CA -0.486 57.326 58.000 -0.315 0.000 1.195 351 F CB 0.751 39.535 39.000 -0.359 0.000 1.099 351 F HN -0.056 nan 8.300 nan 0.000 0.548 352 V N 6.800 126.062 119.914 -1.087 0.000 2.487 352 V HA 0.230 4.350 4.120 -0.001 0.000 0.298 352 V C -0.238 175.193 176.094 -1.104 0.000 1.028 352 V CA -1.364 60.471 62.300 -0.774 0.000 0.860 352 V CB 1.588 33.118 31.823 -0.488 0.000 0.991 352 V HN 0.615 nan 8.190 nan 0.000 0.427 353 K N 5.646 125.657 120.400 -0.649 0.000 2.378 353 K HA 0.453 4.772 4.320 -0.001 0.000 0.288 353 K C -0.382 176.042 176.600 -0.292 0.000 1.057 353 K CA -0.114 55.921 56.287 -0.420 0.000 0.971 353 K CB 0.406 32.805 32.500 -0.167 0.000 0.975 353 K HN 0.692 nan 8.250 nan 0.000 0.475 354 R N 3.874 124.210 120.500 -0.274 0.000 2.740 354 R HA 0.216 4.555 4.340 -0.001 0.000 0.273 354 R C -2.123 174.112 176.300 -0.110 0.000 0.998 354 R CA -2.089 53.905 56.100 -0.177 0.000 0.900 354 R CB 1.532 31.707 30.300 -0.208 0.000 1.223 354 R HN 0.344 nan 8.270 nan 0.000 0.466 355 P HA -0.244 nan 4.420 nan 0.000 0.218 355 P C 0.501 177.812 177.300 0.018 0.000 1.150 355 P CA 1.560 64.656 63.100 -0.007 0.000 0.841 355 P CB 0.160 31.858 31.700 -0.003 0.000 0.784 356 D N -1.526 118.864 120.400 -0.016 0.000 2.363 356 D HA -0.089 4.551 4.640 -0.001 0.000 0.226 356 D C 0.838 177.115 176.300 -0.039 0.000 1.020 356 D CA 0.646 54.655 54.000 0.015 0.000 0.892 356 D CB -0.937 39.856 40.800 -0.011 0.000 0.900 356 D HN 0.258 nan 8.370 nan 0.000 0.531 357 N N -0.810 117.819 118.700 -0.117 0.000 2.159 357 N HA 0.033 4.772 4.740 -0.001 0.000 0.217 357 N C -0.757 174.774 175.510 0.034 0.000 1.223 357 N CA -0.281 52.597 53.050 -0.286 0.000 0.896 357 N CB 0.373 38.603 38.487 -0.427 0.000 1.064 357 N HN -0.149 nan 8.380 nan 0.000 0.518 358 T N 1.150 115.790 114.554 0.144 0.000 2.824 358 T HA 0.545 4.895 4.350 -0.001 0.000 0.282 358 T C -0.661 174.180 174.700 0.236 0.000 0.993 358 T CA -0.514 61.695 62.100 0.182 0.000 0.967 358 T CB 1.759 70.677 68.868 0.084 0.000 0.960 358 T HN 0.045 nan 8.240 nan 0.000 0.441 359 L N 5.311 126.693 121.223 0.265 0.000 2.366 359 L HA 0.375 4.715 4.340 -0.001 0.000 0.266 359 L C -2.323 174.665 176.870 0.198 0.000 1.010 359 L CA -2.070 52.911 54.840 0.234 0.000 0.879 359 L CB 1.502 43.734 42.059 0.288 0.000 1.228 359 L HN 0.340 nan 8.230 nan 0.000 0.439 360 P HA 0.129 nan 4.420 nan 0.000 0.281 360 P C -0.375 176.997 177.300 0.119 0.000 1.286 360 P CA -0.062 63.118 63.100 0.133 0.000 0.772 360 P CB 1.591 33.353 31.700 0.103 0.000 0.862 361 V N 3.919 123.916 119.914 0.138 0.000 2.539 361 V HA 0.701 4.821 4.120 -0.001 0.000 0.292 361 V C 0.484 176.667 176.094 0.147 0.000 1.045 361 V CA -0.303 62.076 62.300 0.132 0.000 0.945 361 V CB 1.186 33.070 31.823 0.102 0.000 0.993 361 V HN 0.795 nan 8.190 nan 0.000 0.464 362 A N 4.557 127.463 122.820 0.143 0.000 2.491 362 A HA 0.658 4.978 4.320 -0.001 0.000 0.293 362 A C -1.334 176.222 177.584 -0.047 0.000 1.047 362 A CA -0.566 51.505 52.037 0.056 0.000 0.735 362 A CB 1.301 20.311 19.000 0.016 0.000 1.281 362 A HN 0.800 nan 8.150 nan 0.000 0.398 363 L N 2.063 123.126 121.223 -0.266 0.000 2.325 363 L HA 0.483 4.822 4.340 -0.001 0.000 0.284 363 L C -0.333 176.309 176.870 -0.381 0.000 1.089 363 L CA 0.179 54.628 54.840 -0.653 0.000 0.836 363 L CB 0.447 41.960 42.059 -0.911 0.000 1.184 363 L HN 0.637 nan 8.230 nan 0.000 0.444 364 D N 4.332 124.541 120.400 -0.318 0.000 2.313 364 D HA 0.222 4.862 4.640 -0.001 0.000 0.239 364 D C 0.411 176.566 176.300 -0.243 0.000 1.142 364 D CA 0.017 53.887 54.000 -0.218 0.000 0.847 364 D CB 0.757 41.464 40.800 -0.155 0.000 1.082 364 D HN 0.632 nan 8.370 nan 0.000 0.480 365 L N 2.922 124.017 121.223 -0.214 0.000 2.769 365 L HA 0.160 4.499 4.340 -0.001 0.000 0.240 365 L C 1.463 178.221 176.870 -0.187 0.000 1.163 365 L CA 0.103 54.806 54.840 -0.229 0.000 0.962 365 L CB 0.158 42.100 42.059 -0.194 0.000 1.258 365 L HN 0.471 nan 8.230 nan 0.000 0.513 366 T N -4.275 110.190 114.554 -0.148 0.000 3.085 366 T HA 0.320 4.670 4.350 -0.001 0.000 0.264 366 T C 0.816 175.452 174.700 -0.106 0.000 1.019 366 T CA 0.161 62.193 62.100 -0.113 0.000 0.910 366 T CB 0.664 69.481 68.868 -0.084 0.000 1.059 366 T HN 0.170 nan 8.240 nan 0.000 0.542 367 G N 1.447 110.172 108.800 -0.125 0.000 2.940 367 G HA2 0.626 4.585 3.960 -0.001 0.000 0.164 367 G HA3 0.626 4.585 3.960 -0.001 0.000 0.164 367 G C -0.712 174.114 174.900 -0.123 0.000 1.326 367 G CA -0.287 44.748 45.100 -0.109 0.000 1.020 367 G HN 0.601 nan 8.290 nan 0.000 0.586 368 T N -0.201 114.287 114.554 -0.109 0.000 2.991 368 T HA 0.656 5.005 4.350 -0.001 0.000 0.303 368 T C -2.541 172.098 174.700 -0.102 0.000 1.015 368 T CA -1.064 60.969 62.100 -0.113 0.000 1.007 368 T CB 1.912 70.730 68.868 -0.085 0.000 1.034 368 T HN 0.539 nan 8.240 nan 0.000 0.446 369 P HA 0.226 nan 4.420 nan 0.000 0.273 369 P C 1.106 178.262 177.300 -0.240 0.000 1.250 369 P CA -0.803 62.195 63.100 -0.171 0.000 0.793 369 P CB 0.778 32.375 31.700 -0.171 0.000 1.011 370 L N 0.016 121.028 121.223 -0.352 0.000 2.051 370 L HA -0.095 4.244 4.340 -0.001 0.000 0.214 370 L C 0.609 177.058 176.870 -0.702 0.000 1.076 370 L CA 1.773 56.261 54.840 -0.588 0.000 0.758 370 L CB -0.722 40.848 42.059 -0.816 0.000 0.890 370 L HN 0.222 nan 8.230 nan 0.000 0.433 371 F N -0.420 119.433 119.950 -0.161 0.000 2.325 371 F HA 0.503 5.029 4.527 -0.001 0.000 0.369 371 F C -0.223 175.442 175.800 -0.226 0.000 1.095 371 F CA -1.000 56.866 58.000 -0.224 0.000 1.082 371 F CB 0.855 39.791 39.000 -0.107 0.000 1.289 371 F HN -0.427 nan 8.300 nan 0.000 0.462 372 V N 2.528 122.316 119.914 -0.209 0.000 2.588 372 V HA 0.387 4.506 4.120 -0.001 0.000 0.304 372 V C -1.093 174.807 176.094 -0.324 0.000 1.042 372 V CA -1.206 60.997 62.300 -0.162 0.000 0.877 372 V CB 1.886 33.637 31.823 -0.120 0.000 0.996 372 V HN 0.621 nan 8.190 nan 0.000 0.425 373 W N 3.502 124.791 121.300 -0.019 0.000 2.529 373 W HA 0.660 5.320 4.660 -0.000 0.000 0.321 373 W C 0.033 176.509 176.519 -0.071 0.000 1.047 373 W CA -0.598 56.706 57.345 -0.067 0.000 1.216 373 W CB 1.609 31.009 29.460 -0.101 0.000 1.357 373 W HN 0.277 nan 8.180 nan 0.000 0.489 374 K N 2.957 123.458 120.400 0.168 0.000 2.376 374 K HA 0.576 4.895 4.320 -0.001 0.000 0.257 374 K C -1.169 175.475 176.600 0.074 0.000 0.939 374 K CA -1.014 55.320 56.287 0.079 0.000 0.809 374 K CB 2.300 34.812 32.500 0.019 0.000 1.121 374 K HN 0.165 nan 8.250 nan 0.000 0.425 375 V N 2.451 122.390 119.914 0.041 0.000 2.398 375 V HA 0.143 4.263 4.120 -0.001 0.000 0.286 375 V C 0.418 176.529 176.094 0.028 0.000 1.026 375 V CA -0.853 61.469 62.300 0.036 0.000 0.868 375 V CB 0.939 32.770 31.823 0.012 0.000 0.982 375 V HN 0.920 nan 8.190 nan 0.000 0.443 376 N N 3.740 122.469 118.700 0.048 0.000 2.688 376 N HA -0.204 4.536 4.740 -0.001 0.000 0.258 376 N C 1.123 176.647 175.510 0.024 0.000 1.016 376 N CA 1.601 54.677 53.050 0.043 0.000 0.747 376 N CB -1.010 37.505 38.487 0.047 0.000 0.895 376 N HN 1.642 nan 8.380 nan 0.000 0.543 377 G N -1.471 107.342 108.800 0.022 0.000 2.166 377 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 377 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 377 G C 0.024 174.923 174.900 -0.001 0.000 0.986 377 G CA 0.937 46.042 45.100 0.008 0.000 0.683 377 G HN 1.355 nan 8.290 nan 0.000 0.527 378 S N 0.407 116.106 115.700 -0.001 0.000 2.547 378 S HA 0.513 4.983 4.470 -0.001 0.000 0.281 378 S C -0.535 174.060 174.600 -0.007 0.000 1.118 378 S CA -0.028 58.166 58.200 -0.010 0.000 0.947 378 S CB 1.246 64.435 63.200 -0.017 0.000 1.053 378 S HN 0.500 nan 8.310 nan 0.000 0.482 379 D N 4.074 124.469 120.400 -0.009 0.000 2.383 379 D HA 0.121 4.761 4.640 -0.001 0.000 0.252 379 D C 0.612 176.897 176.300 -0.026 0.000 1.166 379 D CA -0.281 53.720 54.000 0.001 0.000 0.879 379 D CB 0.446 41.247 40.800 0.003 0.000 1.164 379 D HN 0.578 nan 8.370 nan 0.000 0.462 380 I N 1.739 122.289 120.570 -0.033 0.000 2.993 380 I HA -0.039 4.130 4.170 -0.001 0.000 0.286 380 I C 0.382 176.447 176.117 -0.087 0.000 1.215 380 I CA 0.340 61.599 61.300 -0.070 0.000 1.393 380 I CB 0.391 38.335 38.000 -0.094 0.000 1.371 380 I HN 0.432 nan 8.210 nan 0.000 0.602 381 N N 5.577 124.210 118.700 -0.113 0.000 2.976 381 N HA 0.096 4.836 4.740 -0.001 0.000 0.220 381 N C -0.982 174.424 175.510 -0.174 0.000 1.428 381 N CA -0.373 52.583 53.050 -0.156 0.000 0.748 381 N CB 0.782 39.195 38.487 -0.123 0.000 1.484 381 N HN 0.365 nan 8.380 nan 0.000 0.578 382 V N -0.280 119.505 119.914 -0.214 0.000 3.178 382 V HA 0.297 4.417 4.120 -0.001 0.000 0.306 382 V C 0.524 176.498 176.094 -0.199 0.000 1.107 382 V CA -0.109 62.086 62.300 -0.176 0.000 1.195 382 V CB 0.754 32.484 31.823 -0.155 0.000 0.993 382 V HN 0.405 nan 8.190 nan 0.000 0.493 383 D N 2.741 123.106 120.400 -0.058 0.000 2.313 383 D HA 0.210 4.850 4.640 -0.001 0.000 0.239 383 D C 0.465 176.806 176.300 0.069 0.000 1.142 383 D CA -0.450 53.541 54.000 -0.016 0.000 0.847 383 D CB 0.782 41.635 40.800 0.089 0.000 1.082 383 D HN 0.708 nan 8.370 nan 0.000 0.480 384 W N 2.618 123.874 121.300 -0.073 0.000 2.363 384 W HA 0.002 4.662 4.660 0.000 0.000 0.296 384 W C 1.791 178.288 176.519 -0.036 0.000 1.212 384 W CA 0.898 58.167 57.345 -0.127 0.000 1.260 384 W CB -0.548 28.790 29.460 -0.204 0.000 1.131 384 W HN 0.565 nan 8.180 nan 0.000 0.530 385 G N -0.236 108.767 108.800 0.339 0.000 3.518 385 G HA2 0.139 4.098 3.960 -0.001 0.000 0.273 385 G HA3 0.139 4.098 3.960 -0.001 0.000 0.273 385 G C 0.445 175.465 174.900 0.200 0.000 1.199 385 G CA -0.086 45.228 45.100 0.358 0.000 0.899 385 G HN 0.145 nan 8.290 nan 0.000 0.533 386 K N 0.007 120.507 120.400 0.166 0.000 3.395 386 K HA 0.205 4.525 4.320 -0.001 0.000 0.175 386 K C -2.972 173.756 176.600 0.213 0.000 1.218 386 K CA -0.718 55.647 56.287 0.129 0.000 0.720 386 K CB 1.041 33.586 32.500 0.075 0.000 1.015 386 K HN -0.023 nan 8.250 nan 0.000 0.513 387 P HA 0.082 nan 4.420 nan 0.000 0.271 387 P C 0.841 178.358 177.300 0.360 0.000 1.244 387 P CA -0.253 63.016 63.100 0.282 0.000 0.793 387 P CB 0.624 32.525 31.700 0.335 0.000 0.984 388 I N 0.589 121.309 120.570 0.249 0.000 2.335 388 I HA -0.199 3.971 4.170 -0.001 0.000 0.251 388 I C 1.657 177.890 176.117 0.194 0.000 1.129 388 I CA 1.211 62.651 61.300 0.235 0.000 1.402 388 I CB -0.294 37.679 38.000 -0.045 0.000 1.069 388 I HN 0.339 nan 8.210 nan 0.000 0.424 389 I N 0.519 121.129 120.570 0.068 0.000 3.083 389 I HA -0.232 3.938 4.170 -0.001 0.000 0.273 389 I C 1.832 177.735 176.117 -0.356 0.000 1.297 389 I CA 1.466 62.630 61.300 -0.228 0.000 1.452 389 I CB -1.203 36.482 38.000 -0.526 0.000 1.078 389 I HN 0.327 nan 8.210 nan 0.000 0.484 390 D N -0.512 119.899 120.400 0.019 0.000 2.324 390 D HA -0.103 4.537 4.640 -0.001 0.000 0.212 390 D C 2.144 178.458 176.300 0.023 0.000 0.984 390 D CA 0.589 54.638 54.000 0.083 0.000 0.885 390 D CB 0.109 41.085 40.800 0.293 0.000 0.996 390 D HN 0.165 nan 8.370 nan 0.000 0.505 391 Y N 0.588 120.938 120.300 0.082 0.000 2.145 391 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 391 Y C 2.217 178.157 175.900 0.067 0.000 1.145 391 Y CA 0.742 58.900 58.100 0.095 0.000 1.148 391 Y CB -0.203 38.386 38.460 0.215 0.000 0.981 391 Y HN 0.066 nan 8.280 nan 0.000 0.507 392 I N -0.145 120.555 120.570 0.217 0.000 2.194 392 I HA -0.314 3.855 4.170 -0.001 0.000 0.246 392 I C 2.206 178.336 176.117 0.022 0.000 1.093 392 I CA 1.780 63.138 61.300 0.096 0.000 1.355 392 I CB -1.354 36.641 38.000 -0.009 0.000 1.046 392 I HN 0.317 nan 8.210 nan 0.000 0.413 393 L N 0.107 121.310 121.223 -0.034 0.000 2.209 393 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 393 L C 2.204 179.065 176.870 -0.015 0.000 1.094 393 L CA 1.465 56.270 54.840 -0.058 0.000 0.790 393 L CB -0.399 41.586 42.059 -0.124 0.000 0.932 393 L HN 0.367 nan 8.230 nan 0.000 0.447 394 T N -4.394 110.161 114.554 0.001 0.000 3.122 394 T HA 0.249 4.599 4.350 -0.001 0.000 0.250 394 T C 1.413 176.122 174.700 0.015 0.000 1.067 394 T CA 0.398 62.500 62.100 0.003 0.000 0.966 394 T CB 0.646 69.505 68.868 -0.014 0.000 1.002 394 T HN 0.408 nan 8.240 nan 0.000 0.542 395 G N 1.758 110.578 108.800 0.034 0.000 2.184 395 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.264 395 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.264 395 G C 0.121 175.042 174.900 0.035 0.000 0.975 395 G CA 0.063 45.184 45.100 0.035 0.000 0.642 395 G HN 0.742 nan 8.290 nan 0.000 0.536 396 N N 1.007 119.742 118.700 0.059 0.000 2.454 396 N HA 0.288 5.028 4.740 -0.001 0.000 0.260 396 N C 1.543 177.029 175.510 -0.040 0.000 1.218 396 N CA 1.222 54.309 53.050 0.063 0.000 0.904 396 N CB 0.856 39.436 38.487 0.155 0.000 1.065 396 N HN 0.539 nan 8.380 nan 0.000 0.462 397 T N -1.761 112.638 114.554 -0.258 0.000 3.040 397 T HA 0.175 4.525 4.350 -0.001 0.000 0.266 397 T C 0.141 174.272 174.700 -0.949 0.000 1.005 397 T CA -0.354 61.348 62.100 -0.663 0.000 0.906 397 T CB -0.097 68.609 68.868 -0.271 0.000 1.082 397 T HN 0.232 nan 8.240 nan 0.000 0.531 398 S N 2.642 118.009 115.700 -0.555 0.000 3.729 398 S HA 0.384 4.853 4.470 -0.001 0.000 0.235 398 S C -0.788 173.579 174.600 -0.388 0.000 1.367 398 S CA -0.777 57.206 58.200 -0.361 0.000 0.907 398 S CB -0.884 62.242 63.200 -0.125 0.000 1.471 398 S HN 0.446 nan 8.310 nan 0.000 0.476 399 Y N 1.904 122.062 120.300 -0.237 0.000 2.425 399 Y HA 0.269 4.818 4.550 -0.001 0.000 0.331 399 Y C -1.648 174.109 175.900 -0.239 0.000 1.157 399 Y CA -2.372 55.450 58.100 -0.463 0.000 1.372 399 Y CB -0.775 37.441 38.460 -0.406 0.000 1.253 399 Y HN 0.347 nan 8.280 nan 0.000 0.536 400 P HA -0.053 nan 4.420 nan 0.000 0.271 400 P C 0.751 178.052 177.300 0.002 0.000 1.233 400 P CA -0.078 63.028 63.100 0.010 0.000 0.795 400 P CB 0.688 32.412 31.700 0.039 0.000 0.936 401 V N 0.052 119.967 119.914 0.001 0.000 2.453 401 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 401 V C 2.291 178.371 176.094 -0.024 0.000 1.048 401 V CA 2.107 64.403 62.300 -0.007 0.000 1.049 401 V CB -1.211 30.610 31.823 -0.004 0.000 0.672 401 V HN 0.548 nan 8.190 nan 0.000 0.457 402 S N 0.066 115.751 115.700 -0.025 0.000 2.400 402 S HA -0.294 4.176 4.470 -0.001 0.000 0.234 402 S C 1.729 176.291 174.600 -0.063 0.000 1.049 402 S CA 1.825 60.000 58.200 -0.042 0.000 1.039 402 S CB -0.460 62.717 63.200 -0.038 0.000 0.856 402 S HN 0.620 nan 8.310 nan 0.000 0.465 403 D N 0.821 121.183 120.400 -0.063 0.000 2.310 403 D HA -0.019 4.621 4.640 -0.001 0.000 0.212 403 D C 0.124 176.349 176.300 -0.125 0.000 0.965 403 D CA 0.405 54.346 54.000 -0.097 0.000 0.879 403 D CB -0.268 40.466 40.800 -0.111 0.000 0.921 403 D HN 0.217 nan 8.370 nan 0.000 0.510 404 N N 0.340 118.978 118.700 -0.103 0.000 2.740 404 N HA -0.171 4.568 4.740 -0.001 0.000 0.248 404 N C -0.547 174.866 175.510 -0.162 0.000 1.062 404 N CA 0.278 53.260 53.050 -0.113 0.000 0.704 404 N CB -1.207 37.213 38.487 -0.113 0.000 0.968 404 N HN 0.286 nan 8.380 nan 0.000 0.547 405 I N 0.698 121.168 120.570 -0.167 0.000 2.587 405 I HA 0.018 4.188 4.170 -0.001 0.000 0.284 405 I C 0.710 176.732 176.117 -0.159 0.000 1.134 405 I CA 0.159 61.320 61.300 -0.231 0.000 1.410 405 I CB 0.392 38.188 38.000 -0.341 0.000 1.392 405 I HN -0.158 nan 8.210 nan 0.000 0.545 406 V N 7.510 127.316 119.914 -0.179 0.000 2.313 406 V HA 0.231 4.351 4.120 -0.001 0.000 0.278 406 V C 0.255 176.378 176.094 0.048 0.000 1.017 406 V CA -0.709 61.536 62.300 -0.092 0.000 0.823 406 V CB 1.356 32.987 31.823 -0.320 0.000 1.010 406 V HN 0.712 nan 8.190 nan 0.000 0.443 407 Q N 3.982 123.837 119.800 0.093 0.000 2.279 407 Q HA 0.564 4.904 4.340 -0.001 0.000 0.256 407 Q C -1.156 174.965 176.000 0.202 0.000 0.937 407 Q CA -0.318 55.557 55.803 0.120 0.000 0.933 407 Q CB 1.544 30.342 28.738 0.099 0.000 1.189 407 Q HN 0.621 nan 8.270 nan 0.000 0.417 408 V N 4.584 124.622 119.914 0.208 0.000 2.357 408 V HA 0.165 4.285 4.120 -0.001 0.000 0.281 408 V C -0.412 175.773 176.094 0.153 0.000 1.015 408 V CA -0.685 61.748 62.300 0.222 0.000 0.827 408 V CB 1.271 33.259 31.823 0.276 0.000 1.018 408 V HN 0.878 nan 8.190 nan 0.000 0.432 409 D N 2.573 123.043 120.400 0.116 0.000 2.289 409 D HA 0.102 4.742 4.640 -0.001 0.000 0.207 409 D C 1.375 177.716 176.300 0.068 0.000 0.966 409 D CA 0.714 54.766 54.000 0.087 0.000 0.868 409 D CB 0.432 41.275 40.800 0.072 0.000 0.943 409 D HN 0.673 nan 8.370 nan 0.000 0.514 410 A N 1.195 124.050 122.820 0.058 0.000 2.540 410 A HA 0.192 4.512 4.320 -0.001 0.000 0.239 410 A C 0.362 177.959 177.584 0.021 0.000 1.061 410 A CA -0.041 52.013 52.037 0.030 0.000 0.758 410 A CB 0.408 19.416 19.000 0.014 0.000 0.991 410 A HN -0.020 nan 8.150 nan 0.000 0.502 411 V N 3.336 123.256 119.914 0.010 0.000 2.432 411 V HA 0.232 4.352 4.120 -0.001 0.000 0.275 411 V C 0.857 176.933 176.094 -0.030 0.000 1.043 411 V CA 0.733 63.038 62.300 0.007 0.000 0.925 411 V CB 0.860 32.689 31.823 0.010 0.000 0.985 411 V HN 1.141 nan 8.190 nan 0.000 0.466 412 D N 2.511 122.883 120.400 -0.048 0.000 2.997 412 D HA -0.196 4.444 4.640 -0.001 0.000 0.226 412 D C 0.427 176.602 176.300 -0.208 0.000 1.189 412 D CA 1.177 55.103 54.000 -0.122 0.000 0.834 412 D CB -0.229 40.511 40.800 -0.100 0.000 1.105 412 D HN 0.683 nan 8.370 nan 0.000 0.415 413 Q N -0.764 118.935 119.800 -0.169 0.000 2.260 413 Q HA 0.503 4.842 4.340 -0.001 0.000 0.242 413 Q C -0.486 175.356 176.000 -0.264 0.000 0.932 413 Q CA -0.251 55.451 55.803 -0.170 0.000 0.891 413 Q CB 0.526 29.231 28.738 -0.055 0.000 1.222 413 Q HN 0.272 nan 8.270 nan 0.000 0.453 414 W N 1.305 122.513 121.300 -0.152 0.000 2.251 414 W HA 0.243 4.903 4.660 -0.001 0.000 0.327 414 W C 0.186 176.512 176.519 -0.321 0.000 1.361 414 W CA -0.181 56.992 57.345 -0.288 0.000 1.234 414 W CB 0.669 29.938 29.460 -0.318 0.000 1.212 414 W HN 0.436 nan 8.180 nan 0.000 0.557 415 T N 0.878 115.336 114.554 -0.160 0.000 2.848 415 T HA 0.499 4.849 4.350 -0.001 0.000 0.285 415 T C -1.180 173.305 174.700 -0.358 0.000 0.995 415 T CA -0.912 61.059 62.100 -0.215 0.000 0.970 415 T CB 0.836 69.620 68.868 -0.140 0.000 0.976 415 T HN 0.185 nan 8.240 nan 0.000 0.441 416 Y N 0.911 120.930 120.300 -0.469 0.000 2.360 416 Y HA 0.649 5.198 4.550 -0.000 0.000 0.337 416 Y C -0.692 174.696 175.900 -0.853 0.000 1.039 416 Y CA -1.394 56.484 58.100 -0.369 0.000 1.109 416 Y CB 1.409 39.826 38.460 -0.072 0.000 1.201 416 Y HN 0.704 nan 8.280 nan 0.000 0.458 417 W N 4.381 125.772 121.300 0.152 0.000 2.715 417 W HA 0.527 5.187 4.660 -0.001 0.000 0.331 417 W C -1.419 175.162 176.519 0.102 0.000 1.031 417 W CA -0.671 56.752 57.345 0.131 0.000 1.237 417 W CB 1.420 30.929 29.460 0.081 0.000 1.378 417 W HN 0.243 nan 8.180 nan 0.000 0.454 418 L N 5.338 126.721 121.223 0.266 0.000 2.261 418 L HA 0.515 4.854 4.340 -0.001 0.000 0.289 418 L C -0.811 176.231 176.870 0.287 0.000 1.059 418 L CA -0.533 54.420 54.840 0.188 0.000 0.816 418 L CB -0.103 41.997 42.059 0.068 0.000 1.191 418 L HN 0.253 nan 8.230 nan 0.000 0.431 419 I N 4.866 125.631 120.570 0.324 0.000 2.312 419 I HA 0.309 4.478 4.170 -0.001 0.000 0.290 419 I C 0.192 176.507 176.117 0.329 0.000 1.008 419 I CA -0.078 61.428 61.300 0.342 0.000 1.226 419 I CB 1.105 39.331 38.000 0.375 0.000 1.371 419 I HN 0.553 nan 8.210 nan 0.000 0.468 420 E N 4.628 124.996 120.200 0.281 0.000 2.191 420 E HA 0.262 4.612 4.350 -0.001 0.000 0.278 420 E C -0.292 176.459 176.600 0.252 0.000 0.972 420 E CA -0.624 55.948 56.400 0.286 0.000 0.804 420 E CB 1.274 31.111 29.700 0.229 0.000 1.110 420 E HN 0.261 nan 8.360 nan 0.000 0.394 421 N N 2.851 121.713 118.700 0.269 0.000 3.271 421 N HA 0.015 4.755 4.740 -0.001 0.000 0.303 421 N C -0.842 174.795 175.510 0.211 0.000 1.415 421 N CA -0.046 53.151 53.050 0.245 0.000 1.159 421 N CB -0.278 38.358 38.487 0.248 0.000 1.432 421 N HN 0.459 nan 8.380 nan 0.000 0.521 422 D N 0.163 120.671 120.400 0.179 0.000 2.737 422 D HA -0.175 4.465 4.640 -0.001 0.000 0.233 422 D C -1.377 174.989 176.300 0.111 0.000 1.155 422 D CA 0.186 54.262 54.000 0.128 0.000 0.667 422 D CB 0.035 40.906 40.800 0.118 0.000 1.060 422 D HN 0.398 nan 8.370 nan 0.000 0.427 423 P HA -0.173 nan 4.420 nan 0.000 0.218 423 P C 1.213 178.555 177.300 0.070 0.000 1.146 423 P CA 1.163 64.332 63.100 0.114 0.000 0.820 423 P CB 0.346 32.137 31.700 0.153 0.000 0.778 424 E N -0.438 119.800 120.200 0.062 0.000 2.385 424 E HA 0.140 4.489 4.350 -0.001 0.000 0.194 424 E C 1.472 178.084 176.600 0.020 0.000 1.013 424 E CA 0.063 56.485 56.400 0.038 0.000 0.866 424 E CB -0.886 28.834 29.700 0.034 0.000 0.832 424 E HN 0.166 nan 8.360 nan 0.000 0.500 425 G N 1.449 110.256 108.800 0.012 0.000 2.631 425 G HA2 0.065 4.025 3.960 -0.001 0.000 0.271 425 G HA3 0.065 4.025 3.960 -0.001 0.000 0.271 425 G C -1.261 173.633 174.900 -0.009 0.000 1.302 425 G CA -0.449 44.632 45.100 -0.032 0.000 1.002 425 G HN 0.060 nan 8.290 nan 0.000 0.519 426 P HA 0.057 nan 4.420 nan 0.000 0.217 426 P C 0.010 177.462 177.300 0.254 0.000 1.151 426 P CA 1.162 64.312 63.100 0.084 0.000 0.828 426 P CB -0.010 31.730 31.700 0.067 0.000 0.788 427 F N -3.365 116.610 119.950 0.040 0.000 2.741 427 F HA 0.748 5.275 4.527 -0.001 0.000 0.313 427 F C -1.082 174.772 175.800 0.091 0.000 1.153 427 F CA -1.536 56.497 58.000 0.055 0.000 0.931 427 F CB 0.728 39.761 39.000 0.055 0.000 1.335 427 F HN -0.293 nan 8.300 nan 0.000 0.460 428 S N 0.771 116.637 115.700 0.277 0.000 2.549 428 S HA 0.866 5.336 4.470 -0.001 0.000 0.280 428 S C -1.570 173.181 174.600 0.250 0.000 1.109 428 S CA -0.577 57.751 58.200 0.214 0.000 0.905 428 S CB 1.289 64.590 63.200 0.167 0.000 1.081 428 S HN 0.746 nan 8.310 nan 0.000 0.477 429 L N 3.186 124.521 121.223 0.187 0.000 2.319 429 L HA 0.587 4.927 4.340 -0.001 0.000 0.267 429 L C -2.396 174.341 176.870 -0.221 0.000 1.011 429 L CA -2.714 52.130 54.840 0.007 0.000 0.818 429 L CB 2.121 44.185 42.059 0.009 0.000 1.316 429 L HN 0.454 nan 8.230 nan 0.000 0.432 430 P HA 0.007 nan 4.420 nan 0.000 0.263 430 P C -1.304 175.761 177.300 -0.391 0.000 1.195 430 P CA 0.341 63.311 63.100 -0.217 0.000 0.762 430 P CB 0.198 31.783 31.700 -0.192 0.000 0.799 431 H N 4.547 123.659 119.070 0.071 0.000 2.646 431 H HA 0.217 4.772 4.556 -0.001 0.000 0.328 431 H C -2.177 173.245 175.328 0.157 0.000 0.998 431 H CA -2.345 53.755 56.048 0.087 0.000 1.225 431 H CB 1.356 31.093 29.762 -0.042 0.000 1.457 431 H HN 0.266 nan 8.280 nan 0.000 0.505 432 P HA 0.021 nan 4.420 nan 0.000 0.266 432 P C -0.178 177.260 177.300 0.231 0.000 1.419 432 P CA -0.188 63.107 63.100 0.325 0.000 1.112 432 P CB 0.025 31.911 31.700 0.311 0.000 1.438 433 M N 3.734 123.441 119.600 0.179 0.000 2.180 433 M HA 0.277 4.756 4.480 -0.001 0.000 0.358 433 M C 0.324 176.772 176.300 0.247 0.000 1.233 433 M CA -0.281 55.029 55.300 0.017 0.000 1.114 433 M CB -0.164 32.414 32.600 -0.036 0.000 1.594 433 M HN 0.411 nan 8.290 nan 0.000 0.467 434 H N 2.689 121.777 119.070 0.029 0.000 2.894 434 H HA 0.692 5.248 4.556 -0.000 0.000 0.367 434 H C -2.402 173.114 175.328 0.314 0.000 1.144 434 H CA -1.025 55.158 56.048 0.224 0.000 1.180 434 H CB 1.290 31.079 29.762 0.045 0.000 1.758 434 H HN 0.593 nan 8.280 nan 0.000 0.541 435 L N 5.113 126.477 121.223 0.236 0.000 2.322 435 L HA 0.424 4.763 4.340 -0.001 0.000 0.281 435 L C -0.725 176.077 176.870 -0.113 0.000 1.014 435 L CA -0.225 54.727 54.840 0.187 0.000 0.815 435 L CB 1.018 43.316 42.059 0.398 0.000 1.247 435 L HN 0.852 nan 8.230 nan 0.000 0.421 436 H N 3.265 122.194 119.070 -0.234 0.000 2.546 436 H HA 0.382 4.938 4.556 -0.000 0.000 0.365 436 H C 0.868 175.930 175.328 -0.444 0.000 1.220 436 H CA -0.070 55.896 56.048 -0.135 0.000 1.386 436 H CB 1.069 30.890 29.762 0.097 0.000 1.510 436 H HN 0.946 nan 8.280 nan 0.000 0.591 437 G N 0.873 109.200 108.800 -0.787 0.000 2.189 437 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.267 437 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.267 437 G C -0.093 173.963 174.900 -1.406 0.000 0.975 437 G CA 0.454 44.366 45.100 -1.981 0.000 0.644 437 G HN 0.803 nan 8.290 nan 0.000 0.537 438 H N -0.660 118.196 119.070 -0.357 0.000 3.081 438 H HA 0.295 4.851 4.556 -0.000 0.000 0.322 438 H C -1.581 173.669 175.328 -0.130 0.000 1.266 438 H CA -0.740 55.056 56.048 -0.420 0.000 1.279 438 H CB 1.108 30.452 29.762 -0.696 0.000 1.954 438 H HN 0.207 nan 8.280 nan 0.000 0.530 439 D N 2.169 122.595 120.400 0.043 0.000 2.185 439 D HA 0.277 4.917 4.640 -0.001 0.000 0.247 439 D C 0.131 176.376 176.300 -0.092 0.000 1.027 439 D CA -0.275 53.650 54.000 -0.124 0.000 0.861 439 D CB 1.567 42.371 40.800 0.007 0.000 1.202 439 D HN 0.160 nan 8.370 nan 0.000 0.453 440 F N -0.407 119.619 119.950 0.127 0.000 2.457 440 F HA 0.577 5.104 4.527 0.000 0.000 0.330 440 F C -0.282 175.598 175.800 0.133 0.000 1.069 440 F CA -1.422 56.666 58.000 0.147 0.000 1.009 440 F CB 0.206 39.278 39.000 0.121 0.000 1.276 440 F HN 0.020 nan 8.300 nan 0.000 0.492 441 L N 2.002 123.469 121.223 0.408 0.000 2.289 441 L HA 0.501 4.841 4.340 -0.001 0.000 0.285 441 L C -0.601 176.422 176.870 0.254 0.000 1.049 441 L CA -1.297 53.685 54.840 0.235 0.000 0.804 441 L CB 1.463 43.524 42.059 0.004 0.000 1.195 441 L HN 0.430 nan 8.230 nan 0.000 0.428 442 V N 5.134 125.195 119.914 0.245 0.000 2.352 442 V HA 0.055 4.175 4.120 -0.001 0.000 0.253 442 V C 1.312 177.465 176.094 0.098 0.000 1.083 442 V CA -0.054 62.348 62.300 0.170 0.000 0.993 442 V CB 0.390 32.335 31.823 0.202 0.000 1.111 442 V HN 0.718 nan 8.190 nan 0.000 0.490 443 L N 3.472 124.740 121.223 0.075 0.000 2.156 443 L HA 0.329 4.668 4.340 -0.001 0.000 0.208 443 L C 1.202 178.129 176.870 0.095 0.000 1.095 443 L CA 1.173 56.047 54.840 0.057 0.000 0.770 443 L CB -0.162 41.916 42.059 0.032 0.000 0.914 443 L HN 0.800 nan 8.230 nan 0.000 0.439 444 G N -0.246 108.634 108.800 0.133 0.000 2.338 444 G HA2 0.492 4.452 3.960 -0.001 0.000 0.295 444 G HA3 0.492 4.452 3.960 -0.001 0.000 0.295 444 G C -1.695 173.281 174.900 0.126 0.000 1.461 444 G CA -0.846 44.346 45.100 0.153 0.000 0.817 444 G HN 0.153 nan 8.290 nan 0.000 0.556 445 R N -1.459 118.950 120.500 -0.152 0.000 2.734 445 R HA 0.770 5.110 4.340 -0.001 0.000 0.271 445 R C -0.040 175.541 176.300 -1.199 0.000 1.021 445 R CA -0.514 55.222 56.100 -0.607 0.000 0.893 445 R CB 1.054 31.177 30.300 -0.296 0.000 1.244 445 R HN 1.022 nan 8.270 nan 0.000 0.464 446 S N 0.623 115.268 115.700 -1.758 0.000 2.579 446 S HA 0.279 4.749 4.470 -0.001 0.000 0.275 446 S C -2.092 172.018 174.600 -0.816 0.000 1.345 446 S CA -0.977 56.328 58.200 -1.492 0.000 1.031 446 S CB 0.231 62.638 63.200 -1.321 0.000 0.892 446 S HN 0.458 nan 8.310 nan 0.000 0.529 447 P HA 0.027 nan 4.420 nan 0.000 0.266 447 P C -0.718 176.390 177.300 -0.321 0.000 1.180 447 P CA 0.357 63.136 63.100 -0.534 0.000 0.765 447 P CB 0.190 31.508 31.700 -0.638 0.000 0.806 448 D N 1.428 121.706 120.400 -0.204 0.000 2.343 448 D HA 0.270 4.909 4.640 -0.001 0.000 0.255 448 D C -0.029 176.230 176.300 -0.068 0.000 1.187 448 D CA 0.304 54.227 54.000 -0.129 0.000 0.875 448 D CB 0.302 41.037 40.800 -0.109 0.000 1.136 448 D HN 0.054 nan 8.370 nan 0.000 0.469 449 V N 0.354 120.253 119.914 -0.025 0.000 3.147 449 V HA 0.630 4.750 4.120 -0.001 0.000 0.306 449 V C -2.849 173.252 176.094 0.011 0.000 1.209 449 V CA -2.410 59.904 62.300 0.024 0.000 1.023 449 V CB 1.686 33.579 31.823 0.118 0.000 1.059 449 V HN 0.156 nan 8.190 nan 0.000 0.435 450 P HA 0.317 nan 4.420 nan 0.000 0.267 450 P C 0.770 178.076 177.300 0.011 0.000 1.200 450 P CA 0.611 63.714 63.100 0.004 0.000 0.772 450 P CB 1.049 32.755 31.700 0.010 0.000 0.855 451 A N 3.355 126.176 122.820 0.000 0.000 1.933 451 A HA -0.057 4.263 4.320 -0.001 0.000 0.218 451 A C 1.774 179.372 177.584 0.023 0.000 1.175 451 A CA 1.791 53.829 52.037 0.002 0.000 0.628 451 A CB -1.218 17.773 19.000 -0.015 0.000 0.814 451 A HN 0.549 nan 8.150 nan 0.000 0.444 452 A N 0.262 123.097 122.820 0.024 0.000 2.411 452 A HA 0.350 4.670 4.320 -0.001 0.000 0.251 452 A C 1.690 179.289 177.584 0.024 0.000 1.317 452 A CA 0.806 52.860 52.037 0.028 0.000 0.904 452 A CB -0.736 18.277 19.000 0.022 0.000 0.993 452 A HN 0.763 nan 8.150 nan 0.000 0.504 453 S N -1.634 114.082 115.700 0.026 0.000 2.593 453 S HA 0.075 4.544 4.470 -0.001 0.000 0.217 453 S C 0.954 175.560 174.600 0.010 0.000 0.966 453 S CA 0.550 58.761 58.200 0.019 0.000 0.914 453 S CB 0.048 63.263 63.200 0.025 0.000 0.776 453 S HN 0.420 nan 8.310 nan 0.000 0.523 454 Q N -0.222 119.591 119.800 0.021 0.000 2.253 454 Q HA -0.218 4.121 4.340 -0.001 0.000 0.186 454 Q C -0.334 175.646 176.000 -0.033 0.000 0.624 454 Q CA 1.803 57.617 55.803 0.018 0.000 1.417 454 Q CB -2.081 26.667 28.738 0.017 0.000 1.543 454 Q HN 0.949 nan 8.270 nan 0.000 0.809 455 Q N 1.162 120.917 119.800 -0.075 0.000 2.392 455 Q HA 0.427 4.766 4.340 -0.001 0.000 0.262 455 Q C 0.062 175.874 176.000 -0.314 0.000 1.003 455 Q CA 0.083 55.746 55.803 -0.233 0.000 0.888 455 Q CB 0.825 29.399 28.738 -0.273 0.000 1.260 455 Q HN 0.027 nan 8.270 nan 0.000 0.435 456 R N 1.681 121.890 120.500 -0.486 0.000 2.628 456 R HA 0.573 4.913 4.340 -0.001 0.000 0.288 456 R C -1.272 174.748 176.300 -0.467 0.000 0.980 456 R CA -0.622 55.305 56.100 -0.287 0.000 0.891 456 R CB 1.175 31.416 30.300 -0.099 0.000 1.188 456 R HN 0.518 nan 8.270 nan 0.000 0.450 457 F N 0.538 120.581 119.950 0.156 0.000 2.573 457 F HA 0.371 4.898 4.527 0.000 0.000 0.316 457 F C -0.185 175.840 175.800 0.376 0.000 1.148 457 F CA -0.869 57.268 58.000 0.228 0.000 0.940 457 F CB 2.155 41.265 39.000 0.182 0.000 1.214 457 F HN 0.025 nan 8.300 nan 0.000 0.448 458 V N 3.943 124.147 119.914 0.484 0.000 2.459 458 V HA 0.282 4.402 4.120 -0.001 0.000 0.295 458 V C -0.277 175.937 176.094 0.200 0.000 1.029 458 V CA -1.089 61.410 62.300 0.331 0.000 0.874 458 V CB 1.691 33.631 31.823 0.194 0.000 0.985 458 V HN 0.609 nan 8.190 nan 0.000 0.438 459 F N 4.369 124.141 119.950 -0.297 0.000 2.602 459 F HA 0.215 4.741 4.527 -0.002 0.000 0.385 459 F C 0.291 175.949 175.800 -0.236 0.000 1.063 459 F CA 0.588 58.179 58.000 -0.682 0.000 1.233 459 F CB 0.380 38.844 39.000 -0.893 0.000 1.067 459 F HN 0.578 nan 8.300 nan 0.000 0.564 460 D N 8.312 128.404 120.400 -0.514 0.000 2.593 460 D HA 0.334 4.974 4.640 -0.001 0.000 0.251 460 D C -2.201 173.887 176.300 -0.353 0.000 1.140 460 D CA -2.444 51.423 54.000 -0.222 0.000 0.855 460 D CB 2.277 43.010 40.800 -0.112 0.000 1.267 460 D HN 0.143 nan 8.370 nan 0.000 0.532 461 P HA 0.023 nan 4.420 nan 0.000 0.218 461 P C 1.170 178.456 177.300 -0.024 0.000 1.152 461 P CA 0.956 64.112 63.100 0.094 0.000 0.826 461 P CB 0.162 32.014 31.700 0.252 0.000 0.790 462 A N 0.271 123.080 122.820 -0.019 0.000 1.915 462 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 462 A C 2.272 179.830 177.584 -0.044 0.000 1.198 462 A CA 3.282 55.306 52.037 -0.021 0.000 0.647 462 A CB -1.850 17.142 19.000 -0.013 0.000 0.825 462 A HN 0.228 nan 8.150 nan 0.000 0.456 463 V N -3.879 115.985 119.914 -0.084 0.000 3.085 463 V HA 0.067 4.187 4.120 -0.001 0.000 0.245 463 V C 1.471 177.489 176.094 -0.128 0.000 1.114 463 V CA 1.447 63.696 62.300 -0.084 0.000 1.108 463 V CB -0.410 31.375 31.823 -0.062 0.000 0.798 463 V HN 0.337 nan 8.190 nan 0.000 0.471 464 D N 0.748 120.978 120.400 -0.284 0.000 2.249 464 D HA 0.111 4.750 4.640 -0.001 0.000 0.205 464 D C 2.215 178.407 176.300 -0.180 0.000 0.962 464 D CA 0.776 54.547 54.000 -0.381 0.000 0.860 464 D CB 0.085 40.227 40.800 -1.097 0.000 0.955 464 D HN 0.353 nan 8.370 nan 0.000 0.505 465 L N 0.864 122.044 121.223 -0.072 0.000 2.189 465 L HA -0.175 4.165 4.340 -0.001 0.000 0.214 465 L C 2.229 179.118 176.870 0.031 0.000 1.097 465 L CA 1.111 55.989 54.840 0.063 0.000 0.764 465 L CB -0.361 41.740 42.059 0.069 0.000 0.900 465 L HN 0.008 nan 8.230 nan 0.000 0.436 466 A N -0.391 122.428 122.820 -0.002 0.000 2.072 466 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 466 A C 2.220 179.807 177.584 0.006 0.000 1.156 466 A CA 0.496 52.533 52.037 -0.000 0.000 0.701 466 A CB -0.172 18.820 19.000 -0.014 0.000 0.816 466 A HN 0.345 nan 8.150 nan 0.000 0.458 467 R N -0.600 119.908 120.500 0.013 0.000 2.254 467 R HA 0.281 4.620 4.340 -0.001 0.000 0.195 467 R C 0.038 176.373 176.300 0.059 0.000 0.957 467 R CA -0.203 55.913 56.100 0.027 0.000 1.024 467 R CB -0.155 30.164 30.300 0.030 0.000 0.952 467 R HN 0.372 nan 8.270 nan 0.000 0.484 468 L N 1.459 122.730 121.223 0.079 0.000 2.476 468 L HA 0.071 4.410 4.340 -0.001 0.000 0.264 468 L C 0.225 177.123 176.870 0.047 0.000 1.224 468 L CA -0.060 54.830 54.840 0.084 0.000 0.821 468 L CB 0.071 42.178 42.059 0.081 0.000 1.101 468 L HN 0.047 nan 8.230 nan 0.000 0.488 469 N N -0.007 118.716 118.700 0.039 0.000 2.549 469 N HA 0.304 5.044 4.740 -0.001 0.000 0.281 469 N C 0.050 175.561 175.510 0.003 0.000 1.084 469 N CA -0.231 52.832 53.050 0.022 0.000 0.862 469 N CB 1.857 40.360 38.487 0.028 0.000 1.333 469 N HN 0.668 nan 8.380 nan 0.000 0.523 470 G N 1.211 110.006 108.800 -0.010 0.000 3.192 470 G HA2 0.018 3.978 3.960 -0.001 0.000 0.239 470 G HA3 0.018 3.978 3.960 -0.001 0.000 0.239 470 G C -0.148 174.724 174.900 -0.047 0.000 1.084 470 G CA -0.138 44.934 45.100 -0.046 0.000 0.784 470 G HN 0.533 nan 8.290 nan 0.000 0.540 471 D N 0.664 121.055 120.400 -0.016 0.000 2.427 471 D HA 0.173 4.812 4.640 -0.001 0.000 0.226 471 D C 0.558 176.862 176.300 0.007 0.000 1.076 471 D CA -0.785 53.213 54.000 -0.004 0.000 0.849 471 D CB 0.288 41.092 40.800 0.007 0.000 1.052 471 D HN -0.076 nan 8.370 nan 0.000 0.515 472 N N 3.601 122.307 118.700 0.009 0.000 2.702 472 N HA -0.138 4.601 4.740 -0.001 0.000 0.261 472 N C -2.306 173.223 175.510 0.032 0.000 0.965 472 N CA 0.248 53.313 53.050 0.025 0.000 0.795 472 N CB -0.377 38.132 38.487 0.038 0.000 0.909 472 N HN 0.384 nan 8.380 nan 0.000 0.546 473 P HA 0.180 nan 4.420 nan 0.000 0.273 473 P C -2.534 174.809 177.300 0.071 0.000 1.250 473 P CA -0.898 62.227 63.100 0.043 0.000 0.793 473 P CB -0.214 31.505 31.700 0.031 0.000 1.011 474 P HA 0.035 nan 4.420 nan 0.000 0.263 474 P C -0.042 177.340 177.300 0.137 0.000 1.175 474 P CA 0.917 64.087 63.100 0.117 0.000 0.761 474 P CB 0.163 31.948 31.700 0.143 0.000 0.794 475 R N 3.638 124.204 120.500 0.111 0.000 2.532 475 R HA 0.602 4.941 4.340 -0.001 0.000 0.297 475 R C 0.034 176.344 176.300 0.016 0.000 0.984 475 R CA -0.623 55.533 56.100 0.092 0.000 0.884 475 R CB 1.200 31.561 30.300 0.103 0.000 1.182 475 R HN 0.654 nan 8.270 nan 0.000 0.442 476 R N 0.922 121.358 120.500 -0.105 0.000 3.123 476 R HA 0.134 4.474 4.340 -0.001 0.000 0.268 476 R C -1.099 174.844 176.300 -0.595 0.000 0.962 476 R CA -0.326 55.650 56.100 -0.206 0.000 0.826 476 R CB -0.065 30.174 30.300 -0.101 0.000 1.532 476 R HN 0.540 nan 8.270 nan 0.000 0.445 477 D N -1.063 119.060 120.400 -0.462 0.000 2.502 477 D HA 0.173 4.813 4.640 -0.001 0.000 0.232 477 D C -0.686 175.594 176.300 -0.034 0.000 1.137 477 D CA 0.089 53.814 54.000 -0.459 0.000 0.827 477 D CB 1.220 41.932 40.800 -0.148 0.000 1.141 477 D HN 0.391 nan 8.370 nan 0.000 0.517 478 T N -0.226 114.407 114.554 0.131 0.000 2.879 478 T HA 0.580 4.929 4.350 -0.001 0.000 0.290 478 T C -1.266 173.719 174.700 0.475 0.000 0.993 478 T CA -0.569 61.768 62.100 0.396 0.000 0.975 478 T CB 1.967 70.947 68.868 0.187 0.000 0.981 478 T HN -0.030 nan 8.240 nan 0.000 0.439 479 T N 3.113 118.000 114.554 0.554 0.000 2.900 479 T HA 0.485 4.835 4.350 -0.001 0.000 0.303 479 T C -0.688 174.174 174.700 0.269 0.000 1.142 479 T CA -0.911 61.413 62.100 0.373 0.000 1.007 479 T CB 0.793 69.886 68.868 0.374 0.000 1.156 479 T HN 0.408 nan 8.240 nan 0.000 0.490 480 M N 3.745 123.482 119.600 0.228 0.000 2.268 480 M HA 0.216 4.695 4.480 -0.001 0.000 0.349 480 M C -0.213 176.150 176.300 0.105 0.000 1.485 480 M CA -0.429 54.968 55.300 0.163 0.000 1.094 480 M CB -0.564 32.097 32.600 0.102 0.000 1.843 480 M HN 0.432 nan 8.290 nan 0.000 0.460 481 L N 8.146 129.445 121.223 0.127 0.000 2.315 481 L HA 0.398 4.738 4.340 -0.001 0.000 0.283 481 L C -2.270 174.646 176.870 0.077 0.000 1.089 481 L CA -1.426 53.488 54.840 0.122 0.000 0.833 481 L CB 0.386 42.554 42.059 0.181 0.000 1.170 481 L HN 0.373 nan 8.230 nan 0.000 0.442 482 P HA 0.111 nan 4.420 nan 0.000 0.268 482 P C -0.803 176.530 177.300 0.055 0.000 1.204 482 P CA -0.152 62.947 63.100 -0.002 0.000 0.768 482 P CB 0.471 32.129 31.700 -0.071 0.000 0.842 483 A N 3.554 126.396 122.820 0.037 0.000 2.565 483 A HA 0.362 4.682 4.320 -0.001 0.000 0.237 483 A C 1.679 179.325 177.584 0.103 0.000 1.053 483 A CA 0.618 52.694 52.037 0.064 0.000 0.755 483 A CB -1.351 17.678 19.000 0.049 0.000 0.980 483 A HN 0.884 nan 8.150 nan 0.000 0.506 484 G N 1.417 110.293 108.800 0.126 0.000 2.280 484 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.282 484 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.282 484 G C 0.934 175.937 174.900 0.173 0.000 1.000 484 G CA 1.548 46.724 45.100 0.128 0.000 0.751 484 G HN 1.903 nan 8.290 nan 0.000 0.515 485 G N -0.891 108.032 108.800 0.205 0.000 3.377 485 G HA2 0.701 4.661 3.960 -0.001 0.000 0.182 485 G HA3 0.701 4.661 3.960 -0.001 0.000 0.182 485 G C -0.336 174.761 174.900 0.329 0.000 1.166 485 G CA -0.096 45.164 45.100 0.268 0.000 0.771 485 G HN 1.122 nan 8.290 nan 0.000 0.701 486 W N -1.095 120.321 121.300 0.193 0.000 3.372 486 W HA 0.719 5.379 4.660 -0.001 0.000 0.315 486 W C -2.644 173.963 176.519 0.146 0.000 1.223 486 W CA -1.143 56.311 57.345 0.182 0.000 1.202 486 W CB 1.044 30.641 29.460 0.229 0.000 1.367 486 W HN 0.407 nan 8.180 nan 0.000 0.531 487 L N 4.173 125.681 121.223 0.474 0.000 2.322 487 L HA 0.577 4.917 4.340 -0.001 0.000 0.281 487 L C -0.810 176.306 176.870 0.409 0.000 1.014 487 L CA -1.187 53.867 54.840 0.356 0.000 0.815 487 L CB 1.676 43.864 42.059 0.214 0.000 1.247 487 L HN 0.467 nan 8.230 nan 0.000 0.421 488 L N 5.649 127.092 121.223 0.366 0.000 2.277 488 L HA 0.550 4.890 4.340 -0.001 0.000 0.284 488 L C -1.134 175.787 176.870 0.085 0.000 1.028 488 L CA 0.124 55.062 54.840 0.164 0.000 0.835 488 L CB 0.613 42.722 42.059 0.084 0.000 1.215 488 L HN 0.498 nan 8.230 nan 0.000 0.425 489 L N 4.370 125.646 121.223 0.089 0.000 2.334 489 L HA 0.950 5.290 4.340 -0.001 0.000 0.270 489 L C -0.233 176.707 176.870 0.117 0.000 1.018 489 L CA -0.893 53.983 54.840 0.061 0.000 0.811 489 L CB 1.859 43.862 42.059 -0.092 0.000 1.271 489 L HN 0.701 nan 8.230 nan 0.000 0.443 490 A N 1.932 124.814 122.820 0.104 0.000 2.427 490 A HA 0.739 5.059 4.320 -0.001 0.000 0.298 490 A C -1.269 176.488 177.584 0.289 0.000 1.036 490 A CA -0.370 51.678 52.037 0.018 0.000 0.701 490 A CB 1.318 20.049 19.000 -0.449 0.000 1.250 490 A HN 0.589 nan 8.150 nan 0.000 0.412 491 F N 0.549 120.614 119.950 0.191 0.000 2.588 491 F HA 0.852 5.379 4.527 -0.001 0.000 0.314 491 F C -0.409 175.384 175.800 -0.011 0.000 1.069 491 F CA -1.065 57.002 58.000 0.112 0.000 0.931 491 F CB 1.599 40.466 39.000 -0.222 0.000 1.260 491 F HN 0.562 nan 8.300 nan 0.000 0.465 492 R N 1.929 122.321 120.500 -0.180 0.000 2.202 492 R HA 0.279 4.619 4.340 -0.001 0.000 0.334 492 R C -0.143 176.012 176.300 -0.241 0.000 1.036 492 R CA -0.140 55.617 56.100 -0.571 0.000 0.878 492 R CB 0.800 30.548 30.300 -0.920 0.000 1.067 492 R HN 0.887 nan 8.270 nan 0.000 0.457 493 T N 1.217 115.635 114.554 -0.227 0.000 4.597 493 T HA -0.020 4.329 4.350 -0.001 0.000 0.214 493 T C 0.002 174.749 174.700 0.078 0.000 0.868 493 T CA -0.341 61.768 62.100 0.014 0.000 1.157 493 T CB -0.486 68.383 68.868 0.001 0.000 1.378 493 T HN 0.643 nan 8.240 nan 0.000 1.011 494 D N -0.050 120.437 120.400 0.145 0.000 2.463 494 D HA 0.154 4.793 4.640 -0.001 0.000 0.224 494 D C 0.071 176.439 176.300 0.113 0.000 1.174 494 D CA -0.665 53.370 54.000 0.058 0.000 0.829 494 D CB 0.053 40.822 40.800 -0.053 0.000 0.993 494 D HN 0.407 nan 8.370 nan 0.000 0.497 495 N N 0.678 119.514 118.700 0.226 0.000 2.969 495 N HA 0.207 4.947 4.740 -0.001 0.000 0.230 495 N C -3.092 172.666 175.510 0.414 0.000 1.397 495 N CA -1.015 52.171 53.050 0.226 0.000 0.762 495 N CB 1.465 39.943 38.487 -0.016 0.000 1.495 495 N HN -0.173 nan 8.380 nan 0.000 0.583 496 P HA 0.461 nan 4.420 nan 0.000 0.269 496 P C 0.102 177.502 177.300 0.166 0.000 1.209 496 P CA 0.323 63.563 63.100 0.232 0.000 0.776 496 P CB 0.888 32.660 31.700 0.119 0.000 0.876 497 G N 0.451 109.208 108.800 -0.072 0.000 2.337 497 G HA2 0.434 4.393 3.960 -0.001 0.000 0.298 497 G HA3 0.434 4.393 3.960 -0.001 0.000 0.298 497 G C -1.778 172.647 174.900 -0.791 0.000 1.335 497 G CA -0.211 44.540 45.100 -0.580 0.000 0.875 497 G HN 0.435 nan 8.290 nan 0.000 0.579 498 A N -0.410 121.931 122.820 -0.798 0.000 2.279 498 A HA 0.668 4.988 4.320 -0.001 0.000 0.306 498 A C -0.904 176.298 177.584 -0.638 0.000 1.300 498 A CA -0.169 51.539 52.037 -0.549 0.000 0.925 498 A CB -0.186 18.605 19.000 -0.348 0.000 1.152 498 A HN 0.761 nan 8.150 nan 0.000 0.544 499 W N 3.588 124.886 121.300 -0.004 0.000 2.499 499 W HA 0.458 5.118 4.660 -0.001 0.000 0.320 499 W C -0.272 176.225 176.519 -0.037 0.000 1.010 499 W CA -0.680 56.663 57.345 -0.004 0.000 1.267 499 W CB 1.239 30.731 29.460 0.053 0.000 1.316 499 W HN 0.467 nan 8.180 nan 0.000 0.431 500 L N 3.322 124.542 121.223 -0.005 0.000 2.483 500 L HA 0.231 4.571 4.340 -0.001 0.000 0.275 500 L C -0.377 176.506 176.870 0.020 0.000 1.220 500 L CA 0.112 54.841 54.840 -0.184 0.000 0.833 500 L CB 0.278 41.915 42.059 -0.704 0.000 1.102 500 L HN 0.347 nan 8.230 nan 0.000 0.490 501 F N 3.211 123.104 119.950 -0.095 0.000 2.745 501 F HA 0.422 4.948 4.527 -0.001 0.000 0.343 501 F C -0.457 175.325 175.800 -0.031 0.000 1.196 501 F CA -0.498 57.477 58.000 -0.041 0.000 1.021 501 F CB 0.659 39.766 39.000 0.179 0.000 1.297 501 F HN 0.565 nan 8.300 nan 0.000 0.486 502 H N 2.522 121.260 119.070 -0.553 0.000 3.008 502 H HA 0.556 5.112 4.556 -0.001 0.000 0.354 502 H C -1.312 173.831 175.328 -0.309 0.000 1.252 502 H CA -1.456 54.352 56.048 -0.398 0.000 1.117 502 H CB 0.953 30.584 29.762 -0.218 0.000 1.857 502 H HN 0.684 nan 8.280 nan 0.000 0.547 503 C N 1.999 121.288 119.300 -0.020 0.000 2.536 503 C HA 0.218 4.678 4.460 -0.001 0.000 0.396 503 C C 1.035 176.220 174.990 0.326 0.000 1.279 503 C CA -0.255 58.798 59.018 0.059 0.000 2.148 503 C CB -0.465 27.247 27.740 -0.047 0.000 2.584 503 C HN 1.038 nan 8.230 nan 0.000 0.579 504 H N 3.701 122.891 119.070 0.199 0.000 2.519 504 H HA 0.345 4.901 4.556 -0.001 0.000 0.289 504 H C 0.133 175.509 175.328 0.080 0.000 1.040 504 H CA 0.194 56.392 56.048 0.250 0.000 1.165 504 H CB -0.022 29.863 29.762 0.205 0.000 1.462 504 H HN 0.654 nan 8.280 nan 0.000 0.555 505 I N 1.211 121.825 120.570 0.073 0.000 2.337 505 I HA 0.047 4.217 4.170 -0.001 0.000 0.291 505 I C 1.550 177.480 176.117 -0.312 0.000 1.046 505 I CA -0.297 60.895 61.300 -0.180 0.000 1.324 505 I CB 1.491 39.284 38.000 -0.344 0.000 1.409 505 I HN 0.133 nan 8.210 nan 0.000 0.494 506 A N 7.128 129.624 122.820 -0.541 0.000 1.892 506 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 506 A C 1.820 179.279 177.584 -0.208 0.000 1.188 506 A CA 1.546 53.287 52.037 -0.493 0.000 0.631 506 A CB -0.712 17.792 19.000 -0.826 0.000 0.822 506 A HN 0.927 nan 8.150 nan 0.000 0.447 507 W N -1.221 120.036 121.300 -0.072 0.000 2.364 507 W HA -0.153 4.506 4.660 -0.001 0.000 0.281 507 W C 2.146 178.765 176.519 0.165 0.000 1.219 507 W CA 0.768 58.122 57.345 0.016 0.000 1.220 507 W CB -0.507 28.949 29.460 -0.006 0.000 1.127 507 W HN 0.551 nan 8.180 nan 0.000 0.556 508 H N -0.770 118.375 119.070 0.125 0.000 2.384 508 H HA -0.081 4.475 4.556 0.000 0.000 0.300 508 H C 2.417 177.659 175.328 -0.143 0.000 1.057 508 H CA 1.013 56.973 56.048 -0.146 0.000 1.370 508 H CB -0.280 29.184 29.762 -0.496 0.000 1.417 508 H HN -0.001 nan 8.280 nan 0.000 0.527 509 V N 0.292 120.205 119.914 -0.002 0.000 2.667 509 V HA -0.215 3.905 4.120 -0.001 0.000 0.252 509 V C 2.400 178.480 176.094 -0.024 0.000 1.065 509 V CA 1.924 64.179 62.300 -0.075 0.000 1.083 509 V CB -0.167 31.508 31.823 -0.246 0.000 0.692 509 V HN 0.362 nan 8.190 nan 0.000 0.468 510 S N 0.522 116.248 115.700 0.044 0.000 2.383 510 S HA -0.086 4.384 4.470 -0.001 0.000 0.229 510 S C 1.791 176.459 174.600 0.113 0.000 1.030 510 S CA 1.736 59.984 58.200 0.080 0.000 1.002 510 S CB -0.683 62.616 63.200 0.165 0.000 0.829 510 S HN 0.781 nan 8.310 nan 0.000 0.467 511 G N -1.377 107.559 108.800 0.227 0.000 3.181 511 G HA2 0.451 4.410 3.960 -0.001 0.000 0.219 511 G HA3 0.451 4.410 3.960 -0.001 0.000 0.219 511 G C 0.904 175.952 174.900 0.246 0.000 1.182 511 G CA 0.274 45.544 45.100 0.283 0.000 0.791 511 G HN 1.114 nan 8.290 nan 0.000 0.537 512 G N -0.218 108.670 108.800 0.146 0.000 2.316 512 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.203 512 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.203 512 G C 0.582 175.524 174.900 0.069 0.000 0.999 512 G CA -0.135 45.024 45.100 0.099 0.000 0.649 512 G HN 0.387 nan 8.290 nan 0.000 0.489 513 L N 2.727 123.984 121.223 0.057 0.000 2.530 513 L HA 0.539 4.879 4.340 -0.001 0.000 0.247 513 L C 0.509 177.319 176.870 -0.101 0.000 1.416 513 L CA 0.523 55.306 54.840 -0.096 0.000 1.202 513 L CB -0.054 41.784 42.059 -0.368 0.000 1.415 513 L HN 0.255 nan 8.230 nan 0.000 0.443 514 S N 0.480 116.133 115.700 -0.078 0.000 2.541 514 S HA 0.694 5.164 4.470 -0.001 0.000 0.271 514 S C -0.550 173.991 174.600 -0.098 0.000 1.133 514 S CA -0.682 57.467 58.200 -0.085 0.000 0.876 514 S CB 1.667 64.807 63.200 -0.101 0.000 1.105 514 S HN 0.158 nan 8.310 nan 0.000 0.470 515 V N 0.666 120.513 119.914 -0.113 0.000 3.177 515 V HA 0.805 4.924 4.120 -0.001 0.000 0.319 515 V C -1.010 174.955 176.094 -0.214 0.000 1.125 515 V CA -0.681 61.506 62.300 -0.188 0.000 1.029 515 V CB 1.899 33.532 31.823 -0.315 0.000 1.119 515 V HN 0.808 nan 8.190 nan 0.000 0.452 516 D N 0.699 120.931 120.400 -0.280 0.000 2.389 516 D HA 0.362 5.002 4.640 -0.001 0.000 0.256 516 D C -0.964 175.212 176.300 -0.207 0.000 1.239 516 D CA -0.500 53.374 54.000 -0.210 0.000 0.925 516 D CB 0.532 41.212 40.800 -0.200 0.000 1.145 516 D HN 0.423 nan 8.370 nan 0.000 0.542 517 F N 3.232 123.153 119.950 -0.047 0.000 2.531 517 F HA 0.068 4.595 4.527 -0.001 0.000 0.340 517 F C 1.050 176.839 175.800 -0.019 0.000 1.247 517 F CA -0.428 57.559 58.000 -0.022 0.000 1.027 517 F CB 0.229 39.253 39.000 0.040 0.000 1.241 517 F HN 0.275 nan 8.300 nan 0.000 0.622 518 L N 4.535 125.772 121.223 0.023 0.000 2.652 518 L HA 0.013 4.352 4.340 -0.001 0.000 0.284 518 L C 0.541 177.461 176.870 0.084 0.000 1.204 518 L CA 0.203 55.005 54.840 -0.064 0.000 1.105 518 L CB -0.664 41.252 42.059 -0.239 0.000 1.393 518 L HN 0.497 nan 8.230 nan 0.000 0.452 519 E N 5.368 125.663 120.200 0.158 0.000 2.052 519 E HA 0.236 4.586 4.350 -0.001 0.000 0.283 519 E C -0.216 176.491 176.600 0.179 0.000 1.071 519 E CA -0.512 56.051 56.400 0.272 0.000 0.851 519 E CB 0.127 30.155 29.700 0.547 0.000 1.066 519 E HN 0.530 nan 8.360 nan 0.000 0.396 520 R N 3.305 123.891 120.500 0.144 0.000 3.079 520 R HA -0.144 4.195 4.340 -0.001 0.000 0.254 520 R C -2.142 174.201 176.300 0.071 0.000 0.900 520 R CA 0.090 56.253 56.100 0.105 0.000 0.641 520 R CB -1.238 29.130 30.300 0.114 0.000 1.307 520 R HN 0.560 nan 8.270 nan 0.000 0.477 521 P HA -0.278 nan 4.420 nan 0.000 0.214 521 P C 1.396 178.722 177.300 0.043 0.000 1.163 521 P CA 2.128 65.254 63.100 0.045 0.000 0.889 521 P CB 0.096 31.845 31.700 0.082 0.000 0.790 522 A N -0.530 122.320 122.820 0.051 0.000 1.930 522 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 522 A C 1.892 179.496 177.584 0.033 0.000 1.175 522 A CA 2.053 54.115 52.037 0.041 0.000 0.627 522 A CB -1.446 17.578 19.000 0.042 0.000 0.815 522 A HN 0.100 nan 8.150 nan 0.000 0.443 523 D N -0.301 120.122 120.400 0.038 0.000 2.117 523 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 523 D C 1.828 178.146 176.300 0.031 0.000 0.987 523 D CA 1.314 55.337 54.000 0.038 0.000 0.829 523 D CB -0.404 40.425 40.800 0.050 0.000 0.961 523 D HN 0.395 nan 8.370 nan 0.000 0.460 524 L N 0.915 122.153 121.223 0.025 0.000 1.989 524 L HA -0.128 4.212 4.340 -0.001 0.000 0.211 524 L C 2.098 178.960 176.870 -0.013 0.000 1.071 524 L CA 1.785 56.627 54.840 0.003 0.000 0.749 524 L CB -0.509 41.537 42.059 -0.021 0.000 0.890 524 L HN -0.131 nan 8.230 nan 0.000 0.431 525 R N -0.957 119.537 120.500 -0.010 0.000 2.119 525 R HA -0.265 4.074 4.340 -0.001 0.000 0.246 525 R C 2.373 178.668 176.300 -0.008 0.000 1.146 525 R CA 2.162 58.252 56.100 -0.016 0.000 0.962 525 R CB -0.256 30.043 30.300 -0.002 0.000 0.863 525 R HN 0.477 nan 8.270 nan 0.000 0.442 526 Q N -0.121 119.683 119.800 0.006 0.000 2.170 526 Q HA -0.093 4.247 4.340 -0.001 0.000 0.203 526 Q C 1.592 177.602 176.000 0.016 0.000 0.976 526 Q CA 1.563 57.374 55.803 0.012 0.000 0.858 526 Q CB 0.126 28.875 28.738 0.018 0.000 0.907 526 Q HN 0.319 nan 8.270 nan 0.000 0.433 527 R N -0.652 119.860 120.500 0.020 0.000 2.317 527 R HA 0.225 4.565 4.340 -0.001 0.000 0.208 527 R C -0.081 176.237 176.300 0.031 0.000 0.914 527 R CA -0.025 56.094 56.100 0.032 0.000 1.060 527 R CB 0.330 30.658 30.300 0.046 0.000 1.015 527 R HN 0.179 nan 8.270 nan 0.000 0.498 528 I N 2.797 123.372 120.570 0.009 0.000 2.337 528 I HA 0.002 4.172 4.170 -0.001 0.000 0.291 528 I C 0.818 176.941 176.117 0.010 0.000 1.046 528 I CA -0.202 61.097 61.300 -0.002 0.000 1.324 528 I CB 1.086 39.057 38.000 -0.049 0.000 1.409 528 I HN 0.146 nan 8.210 nan 0.000 0.494 529 S N 4.636 120.355 115.700 0.032 0.000 2.655 529 S HA 0.111 4.581 4.470 -0.001 0.000 0.265 529 S C 0.701 175.318 174.600 0.029 0.000 1.240 529 S CA -0.506 57.715 58.200 0.035 0.000 0.986 529 S CB 1.571 64.803 63.200 0.053 0.000 0.985 529 S HN 0.602 nan 8.310 nan 0.000 0.562 530 Q N 0.896 120.713 119.800 0.029 0.000 2.119 530 Q HA -0.114 4.225 4.340 -0.001 0.000 0.201 530 Q C 2.128 178.151 176.000 0.038 0.000 0.972 530 Q CA 2.016 57.836 55.803 0.029 0.000 0.847 530 Q CB -0.408 28.345 28.738 0.025 0.000 0.903 530 Q HN 0.876 nan 8.270 nan 0.000 0.433 531 E N -0.153 120.073 120.200 0.044 0.000 2.051 531 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 531 E C 1.085 177.721 176.600 0.061 0.000 0.991 531 E CA 1.485 57.916 56.400 0.051 0.000 0.799 531 E CB -0.436 29.298 29.700 0.057 0.000 0.748 531 E HN 0.352 nan 8.360 nan 0.000 0.449 532 D N 1.430 121.871 120.400 0.067 0.000 2.084 532 D HA -0.160 4.480 4.640 -0.001 0.000 0.196 532 D C 1.961 178.299 176.300 0.062 0.000 0.985 532 D CA 1.421 55.449 54.000 0.047 0.000 0.826 532 D CB -0.441 40.382 40.800 0.038 0.000 0.978 532 D HN 0.410 nan 8.370 nan 0.000 0.456 533 E N 0.679 120.902 120.200 0.038 0.000 2.049 533 E HA -0.229 4.121 4.350 -0.001 0.000 0.198 533 E C 1.325 178.001 176.600 0.126 0.000 1.007 533 E CA 1.557 57.982 56.400 0.042 0.000 0.809 533 E CB 0.096 29.801 29.700 0.007 0.000 0.749 533 E HN 0.097 nan 8.360 nan 0.000 0.450 534 D N 0.469 120.919 120.400 0.084 0.000 2.104 534 D HA -0.184 4.456 4.640 -0.001 0.000 0.194 534 D C 1.709 178.058 176.300 0.082 0.000 0.994 534 D CA 1.546 55.593 54.000 0.078 0.000 0.830 534 D CB -0.634 40.196 40.800 0.050 0.000 0.959 534 D HN 0.265 nan 8.370 nan 0.000 0.452 535 D N -0.823 119.619 120.400 0.069 0.000 2.178 535 D HA -0.142 4.498 4.640 -0.001 0.000 0.201 535 D C 1.782 178.102 176.300 0.032 0.000 0.980 535 D CA 0.303 54.322 54.000 0.033 0.000 0.842 535 D CB -0.232 40.570 40.800 0.003 0.000 0.948 535 D HN 0.105 nan 8.370 nan 0.000 0.472 536 F N 0.986 120.903 119.950 -0.056 0.000 2.095 536 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 536 F C 1.944 177.735 175.800 -0.015 0.000 1.104 536 F CA 1.398 59.367 58.000 -0.051 0.000 1.232 536 F CB -0.189 38.783 39.000 -0.047 0.000 0.987 536 F HN -0.039 nan 8.300 nan 0.000 0.475 537 N N 0.271 119.053 118.700 0.137 0.000 2.270 537 N HA -0.145 4.594 4.740 -0.001 0.000 0.181 537 N C 2.006 177.506 175.510 -0.018 0.000 1.016 537 N CA 0.926 54.010 53.050 0.056 0.000 0.870 537 N CB -0.572 37.995 38.487 0.134 0.000 0.979 537 N HN 0.382 nan 8.380 nan 0.000 0.431 538 R N 1.228 121.722 120.500 -0.009 0.000 2.075 538 R HA -0.064 4.275 4.340 -0.001 0.000 0.230 538 R C 1.939 178.220 176.300 -0.033 0.000 1.140 538 R CA 1.377 57.472 56.100 -0.008 0.000 0.928 538 R CB -0.475 29.824 30.300 -0.001 0.000 0.834 538 R HN -0.076 nan 8.270 nan 0.000 0.429 539 V N 0.812 120.678 119.914 -0.080 0.000 2.282 539 V HA -0.385 3.735 4.120 -0.001 0.000 0.249 539 V C 2.672 178.729 176.094 -0.061 0.000 1.057 539 V CA 2.030 64.277 62.300 -0.088 0.000 1.032 539 V CB -0.643 31.082 31.823 -0.164 0.000 0.645 539 V HN 0.579 nan 8.190 nan 0.000 0.447 540 c N -0.200 118.289 118.600 -0.184 0.000 2.413 540 c HA -0.176 4.394 4.570 -0.001 0.000 0.277 540 c C 2.543 176.669 174.090 0.060 0.000 1.265 540 c CA 1.134 57.399 56.329 -0.108 0.000 1.752 540 c CB -1.122 41.203 42.510 -0.308 0.000 1.998 540 c HN 0.619 nan 8.230 nan 0.000 0.489 541 D N 0.317 120.737 120.400 0.033 0.000 2.117 541 D HA -0.096 4.544 4.640 -0.001 0.000 0.198 541 D C 2.103 178.456 176.300 0.087 0.000 0.982 541 D CA 1.151 55.187 54.000 0.059 0.000 0.828 541 D CB -0.462 40.361 40.800 0.039 0.000 0.967 541 D HN 0.602 nan 8.370 nan 0.000 0.464 542 E N -0.043 120.215 120.200 0.097 0.000 2.150 542 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 542 E C 1.939 178.660 176.600 0.201 0.000 0.985 542 E CA 0.397 56.868 56.400 0.119 0.000 0.814 542 E CB -0.077 29.683 29.700 0.099 0.000 0.752 542 E HN 0.467 nan 8.360 nan 0.000 0.466 543 W N 1.856 123.195 121.300 0.064 0.000 2.409 543 W HA -0.084 4.575 4.660 -0.001 0.000 0.299 543 W C 1.616 178.273 176.519 0.230 0.000 1.203 543 W CA 0.855 58.281 57.345 0.135 0.000 1.298 543 W CB -0.056 29.429 29.460 0.042 0.000 1.127 543 W HN -0.074 nan 8.180 nan 0.000 0.528 544 R N 0.547 121.088 120.500 0.069 0.000 2.092 544 R HA -0.115 4.225 4.340 -0.001 0.000 0.231 544 R C 2.526 178.803 176.300 -0.039 0.000 1.119 544 R CA 1.457 57.555 56.100 -0.004 0.000 0.970 544 R CB -0.803 29.560 30.300 0.105 0.000 0.864 544 R HN 0.168 nan 8.270 nan 0.000 0.440 545 A N 0.920 123.739 122.820 -0.002 0.000 1.865 545 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 545 A C 2.026 179.569 177.584 -0.069 0.000 1.191 545 A CA 1.418 53.446 52.037 -0.015 0.000 0.623 545 A CB -0.920 18.097 19.000 0.028 0.000 0.826 545 A HN 0.453 nan 8.150 nan 0.000 0.444 546 Y N -0.878 119.330 120.300 -0.153 0.000 2.165 546 Y HA -0.282 4.267 4.550 -0.001 0.000 0.286 546 Y C 2.319 178.029 175.900 -0.316 0.000 1.155 546 Y CA 1.873 59.844 58.100 -0.215 0.000 1.164 546 Y CB -0.510 37.845 38.460 -0.175 0.000 0.978 546 Y HN 0.565 nan 8.280 nan 0.000 0.513 547 W N 2.736 123.525 121.300 -0.852 0.000 2.318 547 W HA -0.190 4.469 4.660 -0.001 0.000 0.313 547 W C -0.809 175.379 176.519 -0.552 0.000 1.221 547 W CA 1.709 58.539 57.345 -0.860 0.000 1.266 547 W CB -1.264 27.743 29.460 -0.754 0.000 1.150 547 W HN 0.200 nan 8.180 nan 0.000 0.496 548 P HA -0.093 nan 4.420 nan 0.000 0.229 548 P C 1.413 178.375 177.300 -0.563 0.000 1.160 548 P CA 2.135 64.885 63.100 -0.584 0.000 0.777 548 P CB -0.362 31.164 31.700 -0.290 0.000 0.814 549 T N -4.644 109.538 114.554 -0.620 0.000 3.088 549 T HA -0.011 4.339 4.350 -0.001 0.000 0.259 549 T C 0.994 175.343 174.700 -0.585 0.000 1.122 549 T CA -0.154 61.635 62.100 -0.519 0.000 1.095 549 T CB -0.784 67.806 68.868 -0.465 0.000 0.930 549 T HN -0.044 nan 8.240 nan 0.000 0.508 550 N N 3.207 121.423 118.700 -0.808 0.000 2.442 550 N HA 0.120 4.859 4.740 -0.001 0.000 0.265 550 N C -1.558 173.681 175.510 -0.453 0.000 1.138 550 N CA -1.656 51.026 53.050 -0.614 0.000 0.956 550 N CB 1.663 39.815 38.487 -0.559 0.000 1.067 550 N HN 0.131 nan 8.380 nan 0.000 0.474 551 P HA -0.006 nan 4.420 nan 0.000 0.244 551 P C -0.908 176.301 177.300 -0.150 0.000 1.211 551 P CA 0.737 63.613 63.100 -0.373 0.000 0.760 551 P CB -0.014 31.375 31.700 -0.519 0.000 0.961 552 Y N 0.434 120.730 120.300 -0.007 0.000 2.477 552 Y HA 0.450 5.000 4.550 -0.001 0.000 0.347 552 Y C -2.055 173.926 175.900 0.136 0.000 0.981 552 Y CA -4.305 53.853 58.100 0.097 0.000 1.033 552 Y CB 0.762 39.338 38.460 0.194 0.000 1.245 552 Y HN -0.170 nan 8.280 nan 0.000 0.455 553 P HA 0.210 nan 4.420 nan 0.000 0.274 553 P C -0.847 176.779 177.300 0.544 0.000 1.246 553 P CA -0.734 62.591 63.100 0.375 0.000 0.795 553 P CB 1.252 33.099 31.700 0.244 0.000 1.006 554 K N 1.329 122.083 120.400 0.590 0.000 2.276 554 K HA 0.271 4.590 4.320 -0.001 0.000 0.283 554 K C 0.601 177.287 176.600 0.143 0.000 1.044 554 K CA -0.252 56.226 56.287 0.319 0.000 0.944 554 K CB -0.234 32.282 32.500 0.026 0.000 1.012 554 K HN 0.476 nan 8.250 nan 0.000 0.472 555 I N -0.100 120.524 120.570 0.090 0.000 4.160 555 I HA 0.343 4.513 4.170 -0.001 0.000 0.325 555 I C -0.743 175.385 176.117 0.018 0.000 1.455 555 I CA -0.622 60.724 61.300 0.077 0.000 1.142 555 I CB 0.376 38.456 38.000 0.133 0.000 1.262 555 I HN 0.511 nan 8.210 nan 0.000 0.483 556 D N -0.027 120.342 120.400 -0.051 0.000 2.851 556 D HA 0.105 4.744 4.640 -0.001 0.000 0.339 556 D C 0.701 176.894 176.300 -0.178 0.000 1.347 556 D CA 0.243 54.202 54.000 -0.067 0.000 0.888 556 D CB 0.597 41.397 40.800 0.001 0.000 1.431 556 D HN -0.095 nan 8.370 nan 0.000 0.509 557 S N -1.448 114.163 115.700 -0.148 0.000 2.442 557 S HA 0.243 4.713 4.470 -0.001 0.000 0.236 557 S C 1.809 176.185 174.600 -0.373 0.000 1.007 557 S CA 1.611 59.687 58.200 -0.208 0.000 0.965 557 S CB -0.694 62.432 63.200 -0.124 0.000 0.773 557 S HN 1.835 nan 8.310 nan 0.000 0.504 558 G N 0.036 108.583 108.800 -0.422 0.000 2.184 558 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.206 558 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.206 558 G C -0.127 174.786 174.900 0.020 0.000 0.995 558 G CA 0.089 44.820 45.100 -0.616 0.000 0.651 558 G HN 0.524 nan 8.290 nan 0.000 0.511 559 L N 0.000 121.207 121.223 -0.027 0.000 2.949 559 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 559 L CA 0.000 54.873 54.840 0.056 0.000 0.813 559 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502