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 1ohv_1_C DATA FIRST_RESID 11 DATA SEQUENCE FDYDGPLMKT EVPGPRSREL MKQLNIIQNA EAVHFFCNYE ESRGNYLVDV DATA SEQUENCE DGNRMLDLYS QISSIPIGYS HPALVKLVQQ PQNVSTFINR PALGILPPEN DATA SEQUENCE FVEKLRESLL SVAPKGMSQL ITMACGSCSN ENAFKTIFMW YRSKERGQSA DATA SEQUENCE FSKEELETCM INQAPGCPDY SILSFMGAFH GRTMGCLATT HSKAIHKIDI DATA SEQUENCE PSFDWPIAPF PRLKYPLEEF VKENQQEEAR CLEEVEDLIV KYRKKKKTVA DATA SEQUENCE GIIVEPIQSE GGDNHASDDF FRKLRDISRK HGCAFLVDEV QTGGGSTGKF DATA SEQUENCE WAHEHWGLDD PADVMTFSKK MMTGGFFHKE EFRPNAPYRI FNTWLGDPSK DATA SEQUENCE NLLLAEVINI IKREDLLSNA AHAGKVLLTG LLDLQARYPQ FISRVRGRGT DATA SEQUENCE FCSFDTPDES IRNKLISIAR NKGVMLGGCG DKSIRFRPTL VFRDHHAHLF DATA SEQUENCE LNIFSDILAD F 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.787 175.800 -0.021 0.000 0.967 11 F CA 0.000 57.946 58.000 -0.090 0.000 1.383 11 F CB 0.000 38.928 39.000 -0.120 0.000 1.145 12 D N 0.610 121.014 120.400 0.007 0.000 2.570 12 D HA 0.623 5.262 4.640 -0.001 0.000 0.244 12 D C -1.135 175.169 176.300 0.007 0.000 1.178 12 D CA -0.205 53.879 54.000 0.140 0.000 0.881 12 D CB 2.490 43.477 40.800 0.312 0.000 1.453 12 D HN 0.483 nan 8.370 nan 0.000 0.447 13 Y N -0.288 120.078 120.300 0.109 0.000 2.408 13 Y HA 0.353 4.903 4.550 -0.001 0.000 0.324 13 Y C 1.846 177.671 175.900 -0.124 0.000 1.302 13 Y CA 0.532 58.539 58.100 -0.155 0.000 1.384 13 Y CB 0.738 38.893 38.460 -0.508 0.000 1.367 13 Y HN 0.524 nan 8.280 nan 0.000 0.525 14 D N -0.411 120.010 120.400 0.035 0.000 2.348 14 D HA 0.425 5.064 4.640 -0.001 0.000 0.211 14 D C 0.722 177.046 176.300 0.040 0.000 0.998 14 D CA 1.006 55.029 54.000 0.039 0.000 0.873 14 D CB -0.019 40.792 40.800 0.018 0.000 0.925 14 D HN 0.842 nan 8.370 nan 0.000 0.524 15 G N -0.761 107.958 108.800 -0.134 0.000 2.316 15 G HA2 0.454 4.413 3.960 -0.001 0.000 0.296 15 G HA3 0.454 4.413 3.960 -0.001 0.000 0.296 15 G C -3.277 171.532 174.900 -0.152 0.000 1.399 15 G CA -0.214 44.895 45.100 0.016 0.000 0.833 15 G HN 0.077 nan 8.290 nan 0.000 0.565 16 P HA 0.574 nan 4.420 nan 0.000 0.274 16 P C -0.283 177.008 177.300 -0.014 0.000 1.237 16 P CA -0.094 63.073 63.100 0.113 0.000 0.793 16 P CB 1.308 33.143 31.700 0.225 0.000 0.977 17 L N 2.517 123.704 121.223 -0.061 0.000 2.541 17 L HA 0.598 4.938 4.340 -0.001 0.000 0.266 17 L C -0.422 176.406 176.870 -0.069 0.000 0.966 17 L CA -0.926 53.871 54.840 -0.071 0.000 0.871 17 L CB 1.487 43.478 42.059 -0.113 0.000 1.232 17 L HN 0.221 nan 8.230 nan 0.000 0.408 18 M N 1.868 121.439 119.600 -0.048 0.000 2.300 18 M HA 0.547 5.026 4.480 -0.001 0.000 0.348 18 M C 0.701 176.969 176.300 -0.054 0.000 1.151 18 M CA -0.299 54.967 55.300 -0.056 0.000 1.046 18 M CB 1.378 33.953 32.600 -0.042 0.000 1.647 18 M HN 0.749 nan 8.290 nan 0.000 0.451 19 K N 0.360 120.723 120.400 -0.062 0.000 2.387 19 K HA 0.144 4.463 4.320 -0.001 0.000 0.197 19 K C 0.563 177.134 176.600 -0.048 0.000 1.127 19 K CA 0.520 56.776 56.287 -0.051 0.000 0.950 19 K CB 0.938 33.406 32.500 -0.053 0.000 1.017 19 K HN 0.877 nan 8.250 nan 0.000 0.519 20 T N -2.090 112.428 114.554 -0.059 0.000 2.812 20 T HA 0.457 4.807 4.350 -0.001 0.000 0.294 20 T C -0.491 174.171 174.700 -0.062 0.000 1.159 20 T CA -0.768 61.300 62.100 -0.053 0.000 1.008 20 T CB 1.500 70.337 68.868 -0.051 0.000 1.289 20 T HN 0.055 nan 8.240 nan 0.000 0.514 21 E N -0.158 120.013 120.200 -0.049 0.000 2.418 21 E HA 0.534 4.883 4.350 -0.001 0.000 0.261 21 E C -0.198 176.359 176.600 -0.071 0.000 1.070 21 E CA -0.528 55.842 56.400 -0.050 0.000 0.931 21 E CB 0.178 29.859 29.700 -0.031 0.000 0.954 21 E HN 0.846 nan 8.360 nan 0.000 0.439 22 V N 4.103 123.966 119.914 -0.084 0.000 2.448 22 V HA 0.506 4.626 4.120 -0.001 0.000 0.295 22 V C -2.127 173.952 176.094 -0.026 0.000 1.025 22 V CA -1.515 60.715 62.300 -0.116 0.000 0.859 22 V CB 1.571 33.235 31.823 -0.266 0.000 0.988 22 V HN 0.873 nan 8.190 nan 0.000 0.431 23 P HA 0.300 nan 4.420 nan 0.000 0.275 23 P C 0.155 177.466 177.300 0.018 0.000 1.228 23 P CA 0.184 63.323 63.100 0.065 0.000 0.786 23 P CB 1.285 33.083 31.700 0.163 0.000 0.927 24 G N 2.231 111.031 108.800 0.000 0.000 2.543 24 G HA2 0.357 4.316 3.960 -0.001 0.000 0.290 24 G HA3 0.357 4.316 3.960 -0.001 0.000 0.290 24 G C -1.773 173.129 174.900 0.003 0.000 1.310 24 G CA -1.308 43.784 45.100 -0.013 0.000 1.025 24 G HN 0.223 nan 8.290 nan 0.000 0.502 25 P HA -0.092 nan 4.420 nan 0.000 0.215 25 P C 2.347 179.634 177.300 -0.020 0.000 1.153 25 P CA 2.488 65.581 63.100 -0.012 0.000 0.853 25 P CB 0.028 31.718 31.700 -0.018 0.000 0.788 26 R N 0.013 120.498 120.500 -0.025 0.000 2.075 26 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 26 R C 2.434 178.695 176.300 -0.064 0.000 1.126 26 R CA 2.234 58.306 56.100 -0.046 0.000 0.963 26 R CB -2.117 28.162 30.300 -0.036 0.000 0.858 26 R HN 0.194 nan 8.270 nan 0.000 0.435 27 S N 0.189 115.895 115.700 0.010 0.000 2.356 27 S HA -0.132 4.337 4.470 -0.001 0.000 0.223 27 S C 2.189 176.820 174.600 0.050 0.000 1.032 27 S CA 1.372 59.629 58.200 0.094 0.000 1.005 27 S CB -0.235 63.108 63.200 0.238 0.000 0.867 27 S HN 0.642 nan 8.310 nan 0.000 0.449 28 R N 0.871 121.395 120.500 0.040 0.000 2.096 28 R HA -0.021 4.318 4.340 -0.001 0.000 0.235 28 R C 2.320 178.609 176.300 -0.018 0.000 1.127 28 R CA 0.904 57.024 56.100 0.033 0.000 0.968 28 R CB -0.222 30.093 30.300 0.026 0.000 0.861 28 R HN 0.325 nan 8.270 nan 0.000 0.440 29 E N 1.185 121.348 120.200 -0.062 0.000 2.051 29 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 29 E C 2.046 178.546 176.600 -0.168 0.000 0.991 29 E CA 1.181 57.525 56.400 -0.093 0.000 0.799 29 E CB -0.025 29.619 29.700 -0.093 0.000 0.748 29 E HN 0.293 nan 8.360 nan 0.000 0.449 30 L N -0.161 120.860 121.223 -0.337 0.000 2.093 30 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 30 L C 2.735 179.339 176.870 -0.443 0.000 1.085 30 L CA 0.790 55.224 54.840 -0.675 0.000 0.755 30 L CB -0.309 40.809 42.059 -1.569 0.000 0.904 30 L HN 0.147 nan 8.230 nan 0.000 0.435 31 M N -0.577 118.959 119.600 -0.106 0.000 2.117 31 M HA -0.238 4.241 4.480 -0.001 0.000 0.262 31 M C 2.651 179.011 176.300 0.101 0.000 1.065 31 M CA 1.819 57.251 55.300 0.220 0.000 1.114 31 M CB -0.346 32.397 32.600 0.238 0.000 1.361 31 M HN 0.063 nan 8.290 nan 0.000 0.408 32 K N 0.315 120.730 120.400 0.026 0.000 2.026 32 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 32 K C 1.712 178.321 176.600 0.014 0.000 1.048 32 K CA 1.901 58.199 56.287 0.018 0.000 0.929 32 K CB -0.584 31.915 32.500 -0.002 0.000 0.713 32 K HN 0.593 nan 8.250 nan 0.000 0.439 33 Q N -0.322 119.468 119.800 -0.016 0.000 2.030 33 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 33 Q C 2.262 178.284 176.000 0.036 0.000 0.986 33 Q CA 1.981 57.779 55.803 -0.009 0.000 0.843 33 Q CB -0.393 28.314 28.738 -0.050 0.000 0.904 33 Q HN 0.352 nan 8.270 nan 0.000 0.420 34 L N 1.335 122.608 121.223 0.083 0.000 2.079 34 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 34 L C 1.654 178.581 176.870 0.095 0.000 1.081 34 L CA 1.839 56.762 54.840 0.140 0.000 0.752 34 L CB -0.650 41.584 42.059 0.292 0.000 0.896 34 L HN 0.163 nan 8.230 nan 0.000 0.433 35 N N -0.863 117.887 118.700 0.084 0.000 2.519 35 N HA -0.145 4.594 4.740 -0.001 0.000 0.186 35 N C 1.575 177.111 175.510 0.043 0.000 1.062 35 N CA 0.759 53.845 53.050 0.061 0.000 0.910 35 N CB -0.055 38.466 38.487 0.057 0.000 0.958 35 N HN 0.315 nan 8.380 nan 0.000 0.445 36 I N -0.100 120.493 120.570 0.038 0.000 2.315 36 I HA -0.145 4.025 4.170 -0.001 0.000 0.248 36 I C 1.668 177.803 176.117 0.029 0.000 1.117 36 I CA 1.001 62.318 61.300 0.028 0.000 1.404 36 I CB -0.652 37.361 38.000 0.022 0.000 1.071 36 I HN 0.200 nan 8.210 nan 0.000 0.419 37 I N -0.610 119.981 120.570 0.036 0.000 3.035 37 I HA -0.055 4.115 4.170 -0.001 0.000 0.271 37 I C 0.936 177.072 176.117 0.032 0.000 1.190 37 I CA 0.365 61.684 61.300 0.033 0.000 1.472 37 I CB 0.253 38.276 38.000 0.039 0.000 1.116 37 I HN 0.337 nan 8.210 nan 0.000 0.443 38 Q N -0.715 119.106 119.800 0.036 0.000 2.575 38 Q HA 0.256 4.596 4.340 -0.001 0.000 0.290 38 Q C -0.977 175.043 176.000 0.034 0.000 0.963 38 Q CA -0.915 54.907 55.803 0.031 0.000 0.783 38 Q CB 0.780 29.535 28.738 0.029 0.000 1.467 38 Q HN -0.095 nan 8.270 nan 0.000 0.402 39 N N 0.123 118.840 118.700 0.028 0.000 2.452 39 N HA 0.172 4.912 4.740 -0.001 0.000 0.266 39 N C -0.715 174.814 175.510 0.032 0.000 1.209 39 N CA 0.849 53.917 53.050 0.030 0.000 0.929 39 N CB 1.311 39.814 38.487 0.026 0.000 1.063 39 N HN 0.682 nan 8.380 nan 0.000 0.472 40 A N 3.665 126.511 122.820 0.043 0.000 2.564 40 A HA 0.160 4.480 4.320 -0.001 0.000 0.279 40 A C 1.303 178.919 177.584 0.053 0.000 1.232 40 A CA -0.341 51.725 52.037 0.050 0.000 0.950 40 A CB 0.042 19.093 19.000 0.085 0.000 1.138 40 A HN 0.786 nan 8.150 nan 0.000 0.526 41 E N 0.234 120.462 120.200 0.047 0.000 2.153 41 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 41 E C 2.070 178.705 176.600 0.059 0.000 0.988 41 E CA 1.069 57.499 56.400 0.051 0.000 0.811 41 E CB -0.077 29.648 29.700 0.041 0.000 0.746 41 E HN 0.669 nan 8.360 nan 0.000 0.466 42 A N 1.099 123.948 122.820 0.048 0.000 2.066 42 A HA -0.028 4.292 4.320 -0.001 0.000 0.218 42 A C 1.242 178.875 177.584 0.082 0.000 1.157 42 A CA 0.221 52.294 52.037 0.060 0.000 0.670 42 A CB -0.077 18.931 19.000 0.014 0.000 0.804 42 A HN 0.033 nan 8.150 nan 0.000 0.453 43 V N 1.665 121.599 119.914 0.033 0.000 2.509 43 V HA -0.044 4.075 4.120 -0.001 0.000 0.297 43 V C 1.403 177.587 176.094 0.151 0.000 1.014 43 V CA 0.312 62.602 62.300 -0.016 0.000 1.127 43 V CB -0.111 31.692 31.823 -0.032 0.000 0.925 43 V HN 0.588 nan 8.190 nan 0.000 0.480 44 H N 5.317 124.306 119.070 -0.136 0.000 2.317 44 H HA 0.247 4.802 4.556 -0.001 0.000 0.304 44 H C 0.250 175.674 175.328 0.161 0.000 1.067 44 H CA 1.408 57.432 56.048 -0.041 0.000 1.352 44 H CB 0.030 29.674 29.762 -0.197 0.000 1.398 44 H HN 0.685 nan 8.280 nan 0.000 0.510 45 F N -3.927 116.099 119.950 0.126 0.000 2.842 45 F HA 0.425 4.951 4.527 -0.001 0.000 0.319 45 F C -1.562 174.269 175.800 0.052 0.000 1.159 45 F CA -1.844 56.234 58.000 0.131 0.000 0.902 45 F CB 0.589 39.649 39.000 0.100 0.000 1.311 45 F HN -0.295 nan 8.300 nan 0.000 0.453 46 F N 1.228 121.296 119.950 0.198 0.000 2.379 46 F HA 0.664 5.190 4.527 -0.001 0.000 0.332 46 F C 0.241 176.104 175.800 0.105 0.000 1.096 46 F CA -0.669 57.378 58.000 0.078 0.000 1.105 46 F CB 1.439 40.476 39.000 0.062 0.000 1.189 46 F HN 0.656 nan 8.300 nan 0.000 0.515 47 C N 2.112 121.458 119.300 0.078 0.000 2.529 47 C HA 0.397 4.856 4.460 -0.001 0.000 0.329 47 C C -0.007 174.869 174.990 -0.190 0.000 1.194 47 C CA -1.049 57.858 59.018 -0.185 0.000 1.779 47 C CB 1.607 28.865 27.740 -0.804 0.000 2.322 47 C HN 0.705 nan 8.230 nan 0.000 0.500 48 N N 0.409 118.972 118.700 -0.228 0.000 2.817 48 N HA 0.239 4.978 4.740 -0.001 0.000 0.234 48 N C 0.095 175.494 175.510 -0.186 0.000 1.066 48 N CA -0.197 52.781 53.050 -0.119 0.000 0.926 48 N CB 0.004 38.463 38.487 -0.047 0.000 1.176 48 N HN 0.633 nan 8.380 nan 0.000 0.506 49 Y N 1.166 121.456 120.300 -0.016 0.000 2.352 49 Y HA -0.083 4.467 4.550 -0.001 0.000 0.292 49 Y C 1.715 177.622 175.900 0.011 0.000 1.136 49 Y CA 0.861 58.934 58.100 -0.046 0.000 1.227 49 Y CB 0.241 38.686 38.460 -0.026 0.000 0.991 49 Y HN 0.434 nan 8.280 nan 0.000 0.545 50 E N -0.134 120.158 120.200 0.153 0.000 2.118 50 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 50 E C 2.076 178.738 176.600 0.103 0.000 0.992 50 E CA 1.575 58.042 56.400 0.112 0.000 0.804 50 E CB -0.171 29.578 29.700 0.080 0.000 0.741 50 E HN 0.276 nan 8.360 nan 0.000 0.458 51 E N -0.381 119.873 120.200 0.091 0.000 2.452 51 E HA 0.186 4.535 4.350 -0.001 0.000 0.197 51 E C 0.283 177.003 176.600 0.200 0.000 1.022 51 E CA 0.014 56.491 56.400 0.129 0.000 0.890 51 E CB 0.614 30.371 29.700 0.094 0.000 0.918 51 E HN 0.157 nan 8.360 nan 0.000 0.496 52 S N 1.126 116.898 115.700 0.121 0.000 2.562 52 S HA 0.475 4.944 4.470 -0.001 0.000 0.281 52 S C 0.195 174.983 174.600 0.314 0.000 1.333 52 S CA -0.132 58.149 58.200 0.134 0.000 1.052 52 S CB 0.818 63.890 63.200 -0.214 0.000 0.884 52 S HN 0.229 nan 8.310 nan 0.000 0.506 53 R N 0.359 121.143 120.500 0.473 0.000 2.515 53 R HA 0.499 4.838 4.340 -0.001 0.000 0.278 53 R C 0.650 177.216 176.300 0.443 0.000 1.107 53 R CA 0.502 56.832 56.100 0.383 0.000 0.945 53 R CB 0.749 31.127 30.300 0.130 0.000 1.219 53 R HN 0.878 nan 8.270 nan 0.000 0.434 54 G N 3.141 112.122 108.800 0.302 0.000 2.660 54 G HA2 -0.466 3.493 3.960 -0.001 0.000 0.321 54 G HA3 -0.466 3.493 3.960 -0.001 0.000 0.321 54 G C 0.415 175.439 174.900 0.207 0.000 1.246 54 G CA 0.875 46.106 45.100 0.218 0.000 1.000 54 G HN 0.717 nan 8.290 nan 0.000 0.550 55 N N 0.126 118.900 118.700 0.123 0.000 2.461 55 N HA 0.260 5.000 4.740 -0.001 0.000 0.188 55 N C -0.203 175.225 175.510 -0.136 0.000 1.134 55 N CA 0.384 53.359 53.050 -0.124 0.000 0.878 55 N CB 0.105 38.299 38.487 -0.488 0.000 0.972 55 N HN 0.439 nan 8.380 nan 0.000 0.456 56 Y N 0.444 120.953 120.300 0.349 0.000 2.335 56 Y HA 0.397 4.947 4.550 -0.001 0.000 0.338 56 Y C -0.385 175.657 175.900 0.236 0.000 0.977 56 Y CA -1.202 57.072 58.100 0.289 0.000 1.114 56 Y CB 1.058 39.676 38.460 0.263 0.000 1.182 56 Y HN -0.104 nan 8.280 nan 0.000 0.463 57 L N 4.766 126.117 121.223 0.214 0.000 2.275 57 L HA 0.646 4.986 4.340 -0.001 0.000 0.288 57 L C -1.010 175.836 176.870 -0.041 0.000 1.046 57 L CA -0.595 54.203 54.840 -0.069 0.000 0.805 57 L CB 0.975 43.032 42.059 -0.002 0.000 1.193 57 L HN 0.415 nan 8.230 nan 0.000 0.426 58 V N 4.844 124.679 119.914 -0.131 0.000 2.427 58 V HA 0.409 4.528 4.120 -0.001 0.000 0.286 58 V C -0.278 175.749 176.094 -0.111 0.000 1.034 58 V CA -0.740 61.492 62.300 -0.113 0.000 0.893 58 V CB 1.509 33.276 31.823 -0.094 0.000 0.982 58 V HN 0.903 nan 8.190 nan 0.000 0.452 59 D N 3.651 124.002 120.400 -0.081 0.000 2.478 59 D HA 0.214 4.853 4.640 -0.001 0.000 0.263 59 D C 1.088 177.382 176.300 -0.010 0.000 1.153 59 D CA -0.295 53.703 54.000 -0.003 0.000 1.038 59 D CB 1.426 42.181 40.800 -0.075 0.000 1.120 59 D HN 0.315 nan 8.370 nan 0.000 0.564 60 V N -2.884 117.062 119.914 0.053 0.000 3.141 60 V HA -0.024 4.096 4.120 -0.001 0.000 0.265 60 V C 0.707 176.800 176.094 -0.001 0.000 1.126 60 V CA 1.289 63.609 62.300 0.034 0.000 1.141 60 V CB -0.627 31.237 31.823 0.068 0.000 0.743 60 V HN 0.448 nan 8.190 nan 0.000 0.492 61 D N 0.817 121.206 120.400 -0.019 0.000 2.340 61 D HA 0.263 4.903 4.640 -0.001 0.000 0.217 61 D C 1.783 178.050 176.300 -0.054 0.000 1.081 61 D CA 0.936 54.913 54.000 -0.038 0.000 0.842 61 D CB 0.776 41.548 40.800 -0.046 0.000 0.934 61 D HN 0.709 nan 8.370 nan 0.000 0.511 62 G N 1.498 110.263 108.800 -0.059 0.000 2.179 62 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 62 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 62 G C 0.319 175.161 174.900 -0.097 0.000 0.977 62 G CA -0.397 44.662 45.100 -0.068 0.000 0.641 62 G HN 0.215 nan 8.290 nan 0.000 0.533 63 N N 0.341 118.971 118.700 -0.117 0.000 2.513 63 N HA 0.340 5.080 4.740 -0.001 0.000 0.268 63 N C 0.262 175.684 175.510 -0.146 0.000 1.180 63 N CA 0.189 53.156 53.050 -0.140 0.000 0.948 63 N CB 0.938 39.312 38.487 -0.188 0.000 1.083 63 N HN 0.531 nan 8.380 nan 0.000 0.455 64 R N 2.554 122.975 120.500 -0.132 0.000 2.371 64 R HA 0.354 4.694 4.340 -0.001 0.000 0.312 64 R C -0.948 175.362 176.300 0.017 0.000 0.980 64 R CA -0.432 55.595 56.100 -0.122 0.000 0.867 64 R CB 0.557 30.681 30.300 -0.294 0.000 1.163 64 R HN 0.502 nan 8.270 nan 0.000 0.492 65 M N 4.153 123.805 119.600 0.088 0.000 2.404 65 M HA 0.277 4.756 4.480 -0.001 0.000 0.338 65 M C -0.581 175.861 176.300 0.236 0.000 1.150 65 M CA -1.177 54.213 55.300 0.150 0.000 1.016 65 M CB 1.866 34.502 32.600 0.060 0.000 1.672 65 M HN 0.401 nan 8.290 nan 0.000 0.448 66 L N 3.007 124.341 121.223 0.185 0.000 2.500 66 L HA 0.122 4.461 4.340 -0.001 0.000 0.272 66 L C -0.511 176.354 176.870 -0.008 0.000 1.149 66 L CA 0.583 55.361 54.840 -0.104 0.000 0.897 66 L CB -0.094 41.998 42.059 0.055 0.000 1.178 66 L HN 0.508 nan 8.230 nan 0.000 0.473 67 D N 5.269 125.649 120.400 -0.033 0.000 2.428 67 D HA 0.187 4.827 4.640 -0.001 0.000 0.221 67 D C 0.250 176.545 176.300 -0.007 0.000 1.123 67 D CA -0.081 53.962 54.000 0.072 0.000 0.869 67 D CB 0.539 41.476 40.800 0.229 0.000 1.032 67 D HN 0.626 nan 8.370 nan 0.000 0.506 68 L N 3.625 124.827 121.223 -0.036 0.000 2.791 68 L HA 0.147 4.487 4.340 -0.001 0.000 0.239 68 L C 0.427 177.241 176.870 -0.092 0.000 1.203 68 L CA -0.221 54.536 54.840 -0.138 0.000 1.002 68 L CB -0.066 41.884 42.059 -0.182 0.000 1.295 68 L HN 0.402 nan 8.230 nan 0.000 0.504 69 Y N 0.834 121.029 120.300 -0.175 0.000 2.589 69 Y HA -0.009 4.540 4.550 -0.001 0.000 0.271 69 Y C 1.677 177.494 175.900 -0.137 0.000 1.107 69 Y CA 0.017 58.011 58.100 -0.177 0.000 1.273 69 Y CB 0.547 38.934 38.460 -0.121 0.000 1.266 69 Y HN 0.324 nan 8.280 nan 0.000 0.504 70 S N 1.441 117.098 115.700 -0.071 0.000 3.631 70 S HA -0.282 4.188 4.470 -0.001 0.000 0.366 70 S C -0.182 174.300 174.600 -0.196 0.000 0.993 70 S CA 0.748 58.865 58.200 -0.138 0.000 1.167 70 S CB -2.348 60.718 63.200 -0.224 0.000 0.909 70 S HN 0.615 nan 8.310 nan 0.000 0.478 71 Q N -0.729 118.986 119.800 -0.142 0.000 2.463 71 Q HA -0.226 4.113 4.340 -0.001 0.000 0.299 71 Q C 0.816 176.585 176.000 -0.384 0.000 1.353 71 Q CA 1.200 56.894 55.803 -0.181 0.000 0.828 71 Q CB -2.678 26.023 28.738 -0.062 0.000 1.157 71 Q HN 1.757 nan 8.270 nan 0.000 0.436 72 I N -2.479 117.593 120.570 -0.829 0.000 6.341 72 I HA -0.312 3.858 4.170 -0.001 0.000 0.126 72 I C 0.544 176.347 176.117 -0.524 0.000 1.823 72 I CA 0.975 61.733 61.300 -0.903 0.000 2.045 72 I CB -2.160 35.547 38.000 -0.487 0.000 3.471 72 I HN 0.514 nan 8.210 nan 0.000 0.172 73 S N 0.179 115.583 115.700 -0.493 0.000 3.672 73 S HA -0.190 4.279 4.470 -0.001 0.000 0.319 73 S C 1.120 175.598 174.600 -0.203 0.000 1.151 73 S CA 1.256 59.270 58.200 -0.310 0.000 0.911 73 S CB -0.917 62.123 63.200 -0.268 0.000 0.939 73 S HN 1.260 nan 8.310 nan 0.000 0.524 74 S N -0.621 114.959 115.700 -0.200 0.000 2.578 74 S HA 0.431 4.901 4.470 -0.001 0.000 0.228 74 S C 0.283 174.805 174.600 -0.130 0.000 1.022 74 S CA -0.424 57.696 58.200 -0.133 0.000 0.967 74 S CB 0.313 63.445 63.200 -0.114 0.000 0.914 74 S HN 0.464 nan 8.310 nan 0.000 0.515 75 I N 4.462 124.927 120.570 -0.175 0.000 2.291 75 I HA 0.332 4.502 4.170 -0.001 0.000 0.290 75 I C -1.555 174.442 176.117 -0.200 0.000 1.050 75 I CA -2.244 58.935 61.300 -0.203 0.000 1.245 75 I CB 1.019 38.817 38.000 -0.337 0.000 1.405 75 I HN 0.088 nan 8.210 nan 0.000 0.478 76 P HA -0.039 nan 4.420 nan 0.000 0.215 76 P C 0.929 178.147 177.300 -0.138 0.000 1.157 76 P CA 1.412 64.422 63.100 -0.149 0.000 0.856 76 P CB 0.549 32.173 31.700 -0.127 0.000 0.786 77 I N -5.208 115.290 120.570 -0.120 0.000 3.491 77 I HA 0.648 4.817 4.170 -0.001 0.000 0.332 77 I C 0.211 176.343 176.117 0.025 0.000 1.565 77 I CA -0.609 60.657 61.300 -0.056 0.000 1.050 77 I CB 0.367 38.292 38.000 -0.125 0.000 1.348 77 I HN 0.030 nan 8.210 nan 0.000 0.506 78 G N 1.185 109.919 108.800 -0.111 0.000 2.756 78 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.678 78 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.678 78 G C -0.888 173.930 174.900 -0.136 0.000 1.349 78 G CA -0.787 44.216 45.100 -0.161 0.000 0.847 78 G HN 0.369 nan 8.290 nan 0.000 0.548 79 Y N 0.484 120.864 120.300 0.133 0.000 2.346 79 Y HA 0.399 4.948 4.550 -0.001 0.000 0.330 79 Y C 1.799 177.784 175.900 0.143 0.000 1.178 79 Y CA 0.923 59.115 58.100 0.154 0.000 1.331 79 Y CB 1.391 39.975 38.460 0.206 0.000 1.253 79 Y HN 1.121 nan 8.280 nan 0.000 0.529 80 S N 0.801 116.680 115.700 0.298 0.000 3.549 80 S HA -0.264 4.206 4.470 -0.001 0.000 0.366 80 S C -0.162 174.528 174.600 0.150 0.000 1.012 80 S CA 0.417 58.733 58.200 0.193 0.000 1.141 80 S CB -1.870 61.432 63.200 0.170 0.000 0.910 80 S HN 0.717 nan 8.310 nan 0.000 0.471 81 H N 1.771 120.887 119.070 0.076 0.000 3.004 81 H HA 0.082 4.638 4.556 -0.001 0.000 0.316 81 H C -1.539 173.813 175.328 0.040 0.000 1.014 81 H CA -1.065 55.012 56.048 0.048 0.000 1.454 81 H CB 0.780 30.558 29.762 0.027 0.000 1.472 81 H HN 0.060 nan 8.280 nan 0.000 0.571 82 P HA -0.145 nan 4.420 nan 0.000 0.217 82 P C 1.089 178.485 177.300 0.159 0.000 1.148 82 P CA 1.946 65.070 63.100 0.039 0.000 0.828 82 P CB 0.117 31.777 31.700 -0.066 0.000 0.783 83 A N -0.895 122.145 122.820 0.367 0.000 1.969 83 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 83 A C 2.145 179.815 177.584 0.143 0.000 1.169 83 A CA 1.213 53.387 52.037 0.228 0.000 0.635 83 A CB -1.428 17.691 19.000 0.198 0.000 0.810 83 A HN 0.137 nan 8.150 nan 0.000 0.445 84 L N -0.853 120.470 121.223 0.166 0.000 2.179 84 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 84 L C 2.444 179.373 176.870 0.097 0.000 1.096 84 L CA 0.543 55.445 54.840 0.104 0.000 0.779 84 L CB -0.554 41.561 42.059 0.093 0.000 0.922 84 L HN 0.206 nan 8.230 nan 0.000 0.443 85 V N 0.952 120.925 119.914 0.098 0.000 2.287 85 V HA -0.360 3.760 4.120 -0.001 0.000 0.248 85 V C 3.176 179.302 176.094 0.053 0.000 1.053 85 V CA 2.613 64.950 62.300 0.061 0.000 1.027 85 V CB -1.031 30.824 31.823 0.053 0.000 0.646 85 V HN 0.565 nan 8.190 nan 0.000 0.447 86 K N -0.233 120.206 120.400 0.064 0.000 2.063 86 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 86 K C 2.031 178.670 176.600 0.064 0.000 1.048 86 K CA 2.012 58.332 56.287 0.055 0.000 0.928 86 K CB -0.998 31.535 32.500 0.055 0.000 0.713 86 K HN 0.518 nan 8.250 nan 0.000 0.442 87 L N 0.479 121.751 121.223 0.082 0.000 2.012 87 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 87 L C 2.608 179.575 176.870 0.161 0.000 1.073 87 L CA 1.355 56.263 54.840 0.113 0.000 0.748 87 L CB -0.582 41.554 42.059 0.129 0.000 0.891 87 L HN 0.239 nan 8.230 nan 0.000 0.431 88 V N -0.664 119.324 119.914 0.124 0.000 2.515 88 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 88 V C 2.286 178.390 176.094 0.017 0.000 1.058 88 V CA 1.470 63.792 62.300 0.037 0.000 1.064 88 V CB -0.523 31.221 31.823 -0.131 0.000 0.675 88 V HN 0.514 nan 8.190 nan 0.000 0.461 89 Q N -0.641 119.176 119.800 0.028 0.000 2.369 89 Q HA -0.051 4.288 4.340 -0.001 0.000 0.206 89 Q C 0.492 176.515 176.000 0.039 0.000 0.963 89 Q CA 0.336 56.152 55.803 0.021 0.000 0.894 89 Q CB 0.020 28.770 28.738 0.019 0.000 0.965 89 Q HN 0.543 nan 8.270 nan 0.000 0.475 90 Q N 0.822 120.659 119.800 0.061 0.000 2.281 90 Q HA 0.050 4.390 4.340 -0.001 0.000 0.267 90 Q C -1.802 174.238 176.000 0.066 0.000 1.053 90 Q CA -1.640 54.198 55.803 0.059 0.000 0.905 90 Q CB 0.564 29.339 28.738 0.062 0.000 1.195 90 Q HN 0.041 nan 8.270 nan 0.000 0.398 91 P HA -0.196 nan 4.420 nan 0.000 0.217 91 P C 0.640 177.971 177.300 0.052 0.000 1.148 91 P CA 1.321 64.448 63.100 0.046 0.000 0.828 91 P CB 0.442 32.161 31.700 0.031 0.000 0.783 92 Q N -1.101 118.726 119.800 0.045 0.000 2.291 92 Q HA -0.100 4.240 4.340 -0.001 0.000 0.206 92 Q C 1.389 177.415 176.000 0.043 0.000 0.976 92 Q CA 1.086 56.911 55.803 0.036 0.000 0.875 92 Q CB -0.820 27.933 28.738 0.026 0.000 0.927 92 Q HN 0.317 nan 8.270 nan 0.000 0.450 93 N N -0.891 117.855 118.700 0.076 0.000 2.336 93 N HA 0.034 4.774 4.740 -0.001 0.000 0.189 93 N C 1.167 176.784 175.510 0.177 0.000 1.113 93 N CA 0.139 53.244 53.050 0.091 0.000 0.858 93 N CB 0.379 38.961 38.487 0.157 0.000 0.970 93 N HN 0.060 nan 8.380 nan 0.000 0.471 94 V N 0.535 120.553 119.914 0.172 0.000 2.252 94 V HA -0.254 3.866 4.120 -0.001 0.000 0.249 94 V C 2.475 178.663 176.094 0.158 0.000 1.056 94 V CA 2.024 64.442 62.300 0.197 0.000 1.022 94 V CB -0.774 31.111 31.823 0.103 0.000 0.641 94 V HN 0.350 nan 8.190 nan 0.000 0.445 95 S N -0.582 115.160 115.700 0.070 0.000 2.374 95 S HA -0.266 4.203 4.470 -0.001 0.000 0.227 95 S C 2.054 176.646 174.600 -0.014 0.000 1.037 95 S CA 2.444 60.661 58.200 0.028 0.000 1.024 95 S CB -0.504 62.701 63.200 0.008 0.000 0.861 95 S HN 0.715 nan 8.310 nan 0.000 0.456 96 T N 0.864 115.368 114.554 -0.084 0.000 2.803 96 T HA -0.054 4.295 4.350 -0.001 0.000 0.269 96 T C 1.198 175.726 174.700 -0.287 0.000 1.052 96 T CA 1.608 63.569 62.100 -0.232 0.000 1.136 96 T CB -0.448 68.190 68.868 -0.384 0.000 0.864 96 T HN 0.539 nan 8.240 nan 0.000 0.467 97 F N 0.543 120.472 119.950 -0.035 0.000 2.512 97 F HA 0.285 4.811 4.527 -0.001 0.000 0.296 97 F C 1.910 177.675 175.800 -0.057 0.000 1.110 97 F CA 0.203 58.174 58.000 -0.048 0.000 1.446 97 F CB -0.111 38.867 39.000 -0.036 0.000 1.092 97 F HN 0.201 nan 8.300 nan 0.000 0.554 98 I N -4.082 116.555 120.570 0.112 0.000 4.227 98 I HA 0.301 4.471 4.170 -0.001 0.000 0.334 98 I C -0.284 175.841 176.117 0.013 0.000 1.341 98 I CA 0.031 61.364 61.300 0.055 0.000 1.123 98 I CB 0.167 38.203 38.000 0.059 0.000 1.097 98 I HN -0.194 nan 8.210 nan 0.000 0.399 99 N N 3.501 122.198 118.700 -0.006 0.000 2.898 99 N HA 0.288 5.027 4.740 -0.001 0.000 0.245 99 N C -0.960 174.523 175.510 -0.045 0.000 1.185 99 N CA -0.203 52.839 53.050 -0.015 0.000 0.879 99 N CB 1.283 39.765 38.487 -0.008 0.000 1.157 99 N HN 0.292 nan 8.380 nan 0.000 0.503 100 R N 2.188 122.650 120.500 -0.064 0.000 2.248 100 R HA 0.297 4.637 4.340 -0.001 0.000 0.328 100 R C -2.203 174.086 176.300 -0.018 0.000 1.067 100 R CA -0.915 55.111 56.100 -0.123 0.000 0.924 100 R CB 0.443 30.558 30.300 -0.309 0.000 1.013 100 R HN 0.188 nan 8.270 nan 0.000 0.454 101 P HA 0.202 nan 4.420 nan 0.000 0.284 101 P C -1.348 176.028 177.300 0.127 0.000 1.258 101 P CA -0.662 62.455 63.100 0.028 0.000 0.824 101 P CB 1.529 33.192 31.700 -0.062 0.000 1.038 102 A N 2.650 125.539 122.820 0.115 0.000 2.805 102 A HA 0.158 4.477 4.320 -0.001 0.000 0.301 102 A C 1.409 178.968 177.584 -0.040 0.000 1.557 102 A CA -0.344 51.739 52.037 0.076 0.000 1.254 102 A CB -1.291 17.748 19.000 0.065 0.000 1.114 102 A HN 0.624 nan 8.150 nan 0.000 0.553 103 L N 2.134 123.288 121.223 -0.115 0.000 2.187 103 L HA -0.195 4.144 4.340 -0.001 0.000 0.213 103 L C 2.611 179.331 176.870 -0.250 0.000 1.100 103 L CA 1.438 56.104 54.840 -0.290 0.000 0.765 103 L CB -0.224 41.621 42.059 -0.356 0.000 0.904 103 L HN 0.764 nan 8.230 nan 0.000 0.437 104 G N 0.393 109.080 108.800 -0.188 0.000 2.471 104 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 104 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 104 G C 1.445 176.438 174.900 0.155 0.000 1.125 104 G CA 0.958 46.040 45.100 -0.030 0.000 0.775 104 G HN 0.610 nan 8.290 nan 0.000 0.548 105 I N -4.095 116.553 120.570 0.130 0.000 4.244 105 I HA 0.454 4.624 4.170 -0.001 0.000 0.318 105 I C 0.470 176.613 176.117 0.044 0.000 1.282 105 I CA 0.119 61.497 61.300 0.130 0.000 1.276 105 I CB 0.531 38.656 38.000 0.208 0.000 1.183 105 I HN -0.142 nan 8.210 nan 0.000 0.431 106 L N 4.376 125.596 121.223 -0.006 0.000 2.551 106 L HA 0.516 4.856 4.340 -0.001 0.000 0.248 106 L C -2.580 174.234 176.870 -0.093 0.000 1.509 106 L CA -1.447 53.377 54.840 -0.026 0.000 0.842 106 L CB 0.805 42.867 42.059 0.004 0.000 1.087 106 L HN -0.009 nan 8.230 nan 0.000 0.512 107 P HA 0.260 nan 4.420 nan 0.000 0.274 107 P C -2.471 174.755 177.300 -0.122 0.000 1.231 107 P CA -1.008 61.922 63.100 -0.284 0.000 0.790 107 P CB -0.085 31.391 31.700 -0.374 0.000 0.951 108 P HA 0.119 nan 4.420 nan 0.000 0.274 108 P C 0.914 178.247 177.300 0.054 0.000 1.237 108 P CA -0.183 62.911 63.100 -0.009 0.000 0.793 108 P CB 1.045 32.745 31.700 -0.001 0.000 0.977 109 E N 2.033 122.257 120.200 0.040 0.000 2.114 109 E HA -0.259 4.091 4.350 -0.001 0.000 0.199 109 E C 1.264 177.904 176.600 0.066 0.000 1.008 109 E CA 1.847 58.275 56.400 0.047 0.000 0.810 109 E CB -0.278 29.439 29.700 0.027 0.000 0.739 109 E HN 0.647 nan 8.360 nan 0.000 0.456 110 N N -0.812 117.927 118.700 0.066 0.000 2.370 110 N HA -0.076 4.663 4.740 -0.001 0.000 0.198 110 N C 1.423 176.990 175.510 0.095 0.000 1.156 110 N CA -0.209 52.874 53.050 0.056 0.000 0.839 110 N CB -0.090 38.411 38.487 0.024 0.000 0.989 110 N HN 0.066 nan 8.380 nan 0.000 0.468 111 F N 1.643 121.574 119.950 -0.031 0.000 2.069 111 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 111 F C 1.943 177.723 175.800 -0.033 0.000 1.113 111 F CA 1.178 59.157 58.000 -0.035 0.000 1.214 111 F CB -0.404 38.579 39.000 -0.029 0.000 0.978 111 F HN -0.088 nan 8.300 nan 0.000 0.474 112 V N 0.373 120.235 119.914 -0.087 0.000 2.358 112 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 112 V C 2.717 178.715 176.094 -0.159 0.000 1.047 112 V CA 2.311 64.496 62.300 -0.190 0.000 1.035 112 V CB -1.759 30.026 31.823 -0.063 0.000 0.658 112 V HN 0.489 nan 8.190 nan 0.000 0.452 113 E N 0.686 120.835 120.200 -0.085 0.000 2.077 113 E HA -0.316 4.034 4.350 -0.001 0.000 0.193 113 E C 2.095 178.642 176.600 -0.090 0.000 0.989 113 E CA 1.800 58.158 56.400 -0.070 0.000 0.800 113 E CB -0.531 29.147 29.700 -0.036 0.000 0.746 113 E HN 0.573 nan 8.360 nan 0.000 0.452 114 K N -0.009 120.333 120.400 -0.097 0.000 2.148 114 K HA 0.102 4.421 4.320 -0.001 0.000 0.204 114 K C 2.039 178.552 176.600 -0.144 0.000 1.050 114 K CA 0.953 57.181 56.287 -0.098 0.000 0.942 114 K CB -0.421 32.040 32.500 -0.066 0.000 0.724 114 K HN 0.427 nan 8.250 nan 0.000 0.446 115 L N 0.041 121.123 121.223 -0.236 0.000 2.093 115 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 115 L C 2.450 179.227 176.870 -0.155 0.000 1.085 115 L CA 1.245 55.936 54.840 -0.247 0.000 0.755 115 L CB -0.312 41.511 42.059 -0.395 0.000 0.904 115 L HN 0.163 nan 8.230 nan 0.000 0.435 116 R N 0.395 120.813 120.500 -0.136 0.000 2.096 116 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 116 R C 2.026 178.274 176.300 -0.088 0.000 1.127 116 R CA 1.711 57.753 56.100 -0.097 0.000 0.968 116 R CB -0.260 29.991 30.300 -0.081 0.000 0.861 116 R HN 0.587 nan 8.270 nan 0.000 0.440 117 E N 0.305 120.453 120.200 -0.087 0.000 2.435 117 E HA -0.044 4.305 4.350 -0.001 0.000 0.195 117 E C 1.060 177.607 176.600 -0.088 0.000 1.029 117 E CA 0.947 57.300 56.400 -0.079 0.000 0.865 117 E CB 0.258 29.919 29.700 -0.064 0.000 0.833 117 E HN 0.233 nan 8.360 nan 0.000 0.510 118 S N 0.794 116.438 115.700 -0.093 0.000 3.541 118 S HA 0.148 4.618 4.470 -0.001 0.000 0.180 118 S C 1.728 176.273 174.600 -0.091 0.000 0.887 118 S CA -0.415 57.731 58.200 -0.091 0.000 1.264 118 S CB -0.671 62.486 63.200 -0.072 0.000 0.873 118 S HN 0.127 nan 8.310 nan 0.000 0.809 119 L N 1.420 122.608 121.223 -0.059 0.000 2.043 119 L HA -0.059 4.281 4.340 -0.001 0.000 0.212 119 L C 2.640 179.601 176.870 0.152 0.000 1.075 119 L CA 1.301 56.162 54.840 0.035 0.000 0.752 119 L CB -0.819 41.211 42.059 -0.049 0.000 0.891 119 L HN 0.418 nan 8.230 nan 0.000 0.432 120 L N -0.512 120.742 121.223 0.052 0.000 2.191 120 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 120 L C 2.687 179.537 176.870 -0.033 0.000 1.103 120 L CA 1.282 56.156 54.840 0.057 0.000 0.769 120 L CB -0.580 41.470 42.059 -0.015 0.000 0.908 120 L HN 0.408 nan 8.230 nan 0.000 0.438 121 S N -0.436 115.210 115.700 -0.091 0.000 2.555 121 S HA -0.037 4.433 4.470 -0.001 0.000 0.230 121 S C 1.226 175.686 174.600 -0.234 0.000 0.978 121 S CA 0.607 58.718 58.200 -0.148 0.000 0.934 121 S CB -0.138 62.969 63.200 -0.155 0.000 0.766 121 S HN 0.317 nan 8.310 nan 0.000 0.533 122 V N -2.174 117.580 119.914 -0.267 0.000 3.078 122 V HA 0.737 4.857 4.120 -0.001 0.000 0.344 122 V C 0.528 176.478 176.094 -0.240 0.000 1.409 122 V CA -0.721 61.337 62.300 -0.404 0.000 1.146 122 V CB -0.833 30.413 31.823 -0.961 0.000 1.126 122 V HN 0.496 nan 8.190 nan 0.000 0.513 123 A N 2.257 124.890 122.820 -0.312 0.000 2.540 123 A HA 0.558 4.878 4.320 -0.001 0.000 0.239 123 A C -1.804 175.492 177.584 -0.480 0.000 1.061 123 A CA -0.374 51.263 52.037 -0.666 0.000 0.758 123 A CB -0.467 18.363 19.000 -0.283 0.000 0.991 123 A HN 0.515 nan 8.150 nan 0.000 0.502 124 P HA 0.173 nan 4.420 nan 0.000 0.272 124 P C -0.444 176.752 177.300 -0.173 0.000 1.240 124 P CA -0.404 62.522 63.100 -0.290 0.000 0.791 124 P CB 0.415 31.880 31.700 -0.392 0.000 0.978 125 K N 0.813 121.183 120.400 -0.049 0.000 2.448 125 K HA 0.250 4.569 4.320 -0.001 0.000 0.278 125 K C 1.206 177.778 176.600 -0.046 0.000 1.009 125 K CA 1.020 57.287 56.287 -0.034 0.000 0.995 125 K CB -0.523 31.985 32.500 0.013 0.000 0.917 125 K HN 0.851 nan 8.250 nan 0.000 0.481 126 G N 2.680 111.459 108.800 -0.035 0.000 2.162 126 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 126 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 126 G C 0.006 174.890 174.900 -0.026 0.000 0.976 126 G CA 0.083 45.172 45.100 -0.018 0.000 0.655 126 G HN 0.546 nan 8.290 nan 0.000 0.533 127 M N 1.614 121.183 119.600 -0.052 0.000 2.006 127 M HA 0.351 4.830 4.480 -0.001 0.000 0.314 127 M C 1.314 177.602 176.300 -0.020 0.000 0.926 127 M CA 0.184 55.461 55.300 -0.038 0.000 0.906 127 M CB 1.714 34.289 32.600 -0.041 0.000 1.422 127 M HN 0.328 nan 8.290 nan 0.000 0.397 128 S N 0.927 116.608 115.700 -0.032 0.000 2.501 128 S HA 0.123 4.592 4.470 -0.001 0.000 0.220 128 S C 0.597 175.159 174.600 -0.064 0.000 0.997 128 S CA 0.034 58.216 58.200 -0.030 0.000 0.919 128 S CB 0.267 63.451 63.200 -0.026 0.000 0.778 128 S HN 0.625 nan 8.310 nan 0.000 0.523 129 Q N 0.821 120.513 119.800 -0.180 0.000 2.222 129 Q HA 0.677 5.016 4.340 -0.001 0.000 0.252 129 Q C -1.181 174.612 176.000 -0.345 0.000 0.926 129 Q CA -0.582 55.000 55.803 -0.369 0.000 0.899 129 Q CB 1.892 30.132 28.738 -0.830 0.000 1.250 129 Q HN 0.405 nan 8.270 nan 0.000 0.441 130 L N 2.115 123.167 121.223 -0.285 0.000 2.505 130 L HA 0.555 4.895 4.340 -0.001 0.000 0.266 130 L C -1.743 174.959 176.870 -0.280 0.000 0.954 130 L CA -0.162 54.482 54.840 -0.327 0.000 0.852 130 L CB 1.735 43.587 42.059 -0.344 0.000 1.282 130 L HN 0.616 nan 8.230 nan 0.000 0.403 131 I N 3.310 123.611 120.570 -0.448 0.000 2.545 131 I HA 0.509 4.679 4.170 -0.001 0.000 0.292 131 I C -0.081 175.775 176.117 -0.436 0.000 1.040 131 I CA -0.551 60.483 61.300 -0.443 0.000 1.068 131 I CB 2.516 40.127 38.000 -0.649 0.000 1.251 131 I HN 0.738 nan 8.210 nan 0.000 0.424 132 T N 4.114 118.550 114.554 -0.197 0.000 2.922 132 T HA 0.719 5.068 4.350 -0.001 0.000 0.285 132 T C -0.280 174.353 174.700 -0.112 0.000 1.005 132 T CA -0.747 61.284 62.100 -0.115 0.000 1.061 132 T CB 1.696 70.588 68.868 0.041 0.000 1.007 132 T HN 0.322 nan 8.240 nan 0.000 0.502 133 M N 0.593 120.134 119.600 -0.100 0.000 2.622 133 M HA 0.541 5.021 4.480 -0.001 0.000 0.276 133 M C 0.789 177.071 176.300 -0.029 0.000 1.265 133 M CA -0.977 54.286 55.300 -0.061 0.000 0.850 133 M CB 1.694 34.252 32.600 -0.071 0.000 1.720 133 M HN 0.831 nan 8.290 nan 0.000 0.465 134 A N 0.454 123.277 122.820 0.006 0.000 2.123 134 A HA 0.259 4.578 4.320 -0.001 0.000 0.214 134 A C 0.706 178.296 177.584 0.009 0.000 1.152 134 A CA 0.967 53.019 52.037 0.026 0.000 0.728 134 A CB -0.161 18.883 19.000 0.073 0.000 0.814 134 A HN 0.944 nan 8.150 nan 0.000 0.464 135 C N -5.530 113.763 119.300 -0.012 0.000 3.332 135 C HA 0.755 5.214 4.460 -0.001 0.000 0.329 135 C C 1.688 176.650 174.990 -0.048 0.000 1.434 135 C CA -0.099 58.910 59.018 -0.016 0.000 1.314 135 C CB 1.012 28.751 27.740 -0.001 0.000 1.664 135 C HN 0.438 nan 8.230 nan 0.000 0.457 136 G N 1.123 109.906 108.800 -0.029 0.000 2.418 136 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.217 136 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.217 136 G C 1.441 176.292 174.900 -0.083 0.000 1.158 136 G CA 1.487 46.562 45.100 -0.042 0.000 0.771 136 G HN 0.901 nan 8.290 nan 0.000 0.545 137 S N 0.167 115.828 115.700 -0.064 0.000 2.355 137 S HA -0.197 4.273 4.470 -0.001 0.000 0.222 137 S C 2.577 177.102 174.600 -0.126 0.000 1.031 137 S CA 1.553 59.696 58.200 -0.095 0.000 0.993 137 S CB -0.612 62.554 63.200 -0.056 0.000 0.859 137 S HN 0.783 nan 8.310 nan 0.000 0.453 138 C N 1.223 120.472 119.300 -0.084 0.000 2.448 138 C HA 0.148 4.607 4.460 -0.001 0.000 0.280 138 C C 2.647 177.573 174.990 -0.106 0.000 1.398 138 C CA -0.032 58.940 59.018 -0.075 0.000 1.774 138 C CB -1.568 26.156 27.740 -0.027 0.000 1.888 138 C HN 0.378 nan 8.230 nan 0.000 0.519 139 S N 2.266 117.885 115.700 -0.136 0.000 2.355 139 S HA -0.124 4.346 4.470 -0.001 0.000 0.222 139 S C 1.804 176.175 174.600 -0.382 0.000 1.031 139 S CA 1.652 59.764 58.200 -0.146 0.000 0.993 139 S CB -0.393 62.686 63.200 -0.202 0.000 0.859 139 S HN 0.680 nan 8.310 nan 0.000 0.453 140 N N 1.215 119.644 118.700 -0.452 0.000 2.171 140 N HA -0.027 4.713 4.740 -0.001 0.000 0.184 140 N C 1.689 176.500 175.510 -1.165 0.000 1.021 140 N CA 0.780 53.349 53.050 -0.802 0.000 0.854 140 N CB -0.338 37.748 38.487 -0.667 0.000 0.994 140 N HN 0.402 nan 8.380 nan 0.000 0.426 141 E N 0.968 120.770 120.200 -0.664 0.000 2.058 141 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 141 E C 1.299 177.734 176.600 -0.276 0.000 0.997 141 E CA 0.775 56.944 56.400 -0.384 0.000 0.801 141 E CB -0.285 29.352 29.700 -0.105 0.000 0.746 141 E HN 0.417 nan 8.360 nan 0.000 0.450 142 N N 0.431 118.969 118.700 -0.269 0.000 2.409 142 N HA -0.039 4.700 4.740 -0.001 0.000 0.179 142 N C 1.711 176.914 175.510 -0.512 0.000 1.032 142 N CA 0.790 53.740 53.050 -0.166 0.000 0.898 142 N CB 0.092 38.639 38.487 0.101 0.000 0.971 142 N HN 0.081 nan 8.380 nan 0.000 0.441 143 A N 0.838 123.057 122.820 -1.001 0.000 1.898 143 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 143 A C 1.983 179.266 177.584 -0.501 0.000 1.181 143 A CA 0.759 52.105 52.037 -1.153 0.000 0.620 143 A CB -0.861 17.470 19.000 -1.116 0.000 0.819 143 A HN 0.226 nan 8.150 nan 0.000 0.442 144 F N 0.318 120.000 119.950 -0.448 0.000 2.095 144 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 144 F C 2.521 178.055 175.800 -0.442 0.000 1.104 144 F CA 1.320 59.024 58.000 -0.492 0.000 1.232 144 F CB -0.163 38.688 39.000 -0.248 0.000 0.987 144 F HN 0.162 nan 8.300 nan 0.000 0.475 145 K N -0.054 120.408 120.400 0.104 0.000 2.057 145 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 145 K C 1.915 178.618 176.600 0.172 0.000 1.049 145 K CA 1.822 58.258 56.287 0.249 0.000 0.931 145 K CB -0.644 31.984 32.500 0.214 0.000 0.714 145 K HN 0.181 nan 8.250 nan 0.000 0.440 146 T N 2.038 116.621 114.554 0.048 0.000 2.720 146 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 146 T C 1.953 176.795 174.700 0.237 0.000 1.037 146 T CA 1.216 63.383 62.100 0.110 0.000 1.144 146 T CB -0.184 68.663 68.868 -0.034 0.000 0.864 146 T HN 0.150 nan 8.240 nan 0.000 0.444 147 I N -0.117 120.519 120.570 0.109 0.000 2.252 147 I HA -0.104 4.066 4.170 -0.001 0.000 0.245 147 I C 1.989 178.321 176.117 0.359 0.000 1.102 147 I CA 1.426 62.870 61.300 0.240 0.000 1.385 147 I CB -0.373 37.571 38.000 -0.094 0.000 1.064 147 I HN 0.233 nan 8.210 nan 0.000 0.414 148 F N 0.214 120.337 119.950 0.289 0.000 2.171 148 F HA -0.248 4.279 4.527 -0.001 0.000 0.300 148 F C 2.589 178.565 175.800 0.293 0.000 1.090 148 F CA 1.053 59.211 58.000 0.263 0.000 1.293 148 F CB -0.364 38.714 39.000 0.129 0.000 1.013 148 F HN -0.018 nan 8.300 nan 0.000 0.486 149 M N -1.258 118.607 119.600 0.442 0.000 2.159 149 M HA -0.228 4.252 4.480 -0.001 0.000 0.263 149 M C 2.056 178.546 176.300 0.316 0.000 1.063 149 M CA 1.777 57.280 55.300 0.338 0.000 1.110 149 M CB -0.563 32.212 32.600 0.292 0.000 1.374 149 M HN 0.420 nan 8.290 nan 0.000 0.411 150 W N -0.194 121.188 121.300 0.136 0.000 2.388 150 W HA -0.229 4.431 4.660 -0.001 0.000 0.294 150 W C 2.031 178.557 176.519 0.011 0.000 1.212 150 W CA 1.346 58.669 57.345 -0.036 0.000 1.271 150 W CB -0.512 28.780 29.460 -0.279 0.000 1.126 150 W HN 0.186 nan 8.180 nan 0.000 0.535 151 Y N 1.113 121.412 120.300 -0.001 0.000 2.184 151 Y HA -0.136 4.414 4.550 -0.001 0.000 0.290 151 Y C 2.626 178.473 175.900 -0.088 0.000 1.129 151 Y CA 2.008 59.962 58.100 -0.243 0.000 1.144 151 Y CB -0.437 38.094 38.460 0.118 0.000 0.995 151 Y HN -0.303 nan 8.280 nan 0.000 0.513 152 R N -0.350 120.348 120.500 0.330 0.000 2.105 152 R HA -0.175 4.165 4.340 -0.001 0.000 0.239 152 R C 2.562 178.882 176.300 0.034 0.000 1.135 152 R CA 1.289 57.524 56.100 0.224 0.000 0.967 152 R CB -1.326 29.094 30.300 0.201 0.000 0.861 152 R HN 0.302 nan 8.270 nan 0.000 0.442 153 S N 0.598 116.270 115.700 -0.046 0.000 2.383 153 S HA -0.084 4.386 4.470 -0.001 0.000 0.227 153 S C 1.710 176.165 174.600 -0.242 0.000 1.026 153 S CA 1.083 59.211 58.200 -0.121 0.000 0.981 153 S CB 0.120 63.261 63.200 -0.098 0.000 0.818 153 S HN 0.269 nan 8.310 nan 0.000 0.472 154 K N 0.524 120.660 120.400 -0.439 0.000 2.026 154 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 154 K C 2.217 178.628 176.600 -0.315 0.000 1.048 154 K CA 1.632 57.625 56.287 -0.490 0.000 0.929 154 K CB -0.193 31.805 32.500 -0.837 0.000 0.713 154 K HN 0.509 nan 8.250 nan 0.000 0.439 155 E N 0.416 120.466 120.200 -0.249 0.000 2.072 155 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 155 E C 1.925 178.486 176.600 -0.065 0.000 0.985 155 E CA 1.089 57.421 56.400 -0.113 0.000 0.801 155 E CB 0.019 29.733 29.700 0.023 0.000 0.750 155 E HN 0.312 nan 8.360 nan 0.000 0.452 156 R N 0.473 120.940 120.500 -0.055 0.000 2.297 156 R HA 0.154 4.493 4.340 -0.001 0.000 0.197 156 R C 1.352 177.609 176.300 -0.072 0.000 0.943 156 R CA 0.640 56.715 56.100 -0.042 0.000 1.038 156 R CB -0.112 30.176 30.300 -0.019 0.000 0.957 156 R HN 0.114 nan 8.270 nan 0.000 0.484 157 G N 0.622 109.362 108.800 -0.100 0.000 2.660 157 G HA2 -0.563 3.397 3.960 -0.001 0.000 0.321 157 G HA3 -0.563 3.397 3.960 -0.001 0.000 0.321 157 G C 1.059 175.902 174.900 -0.095 0.000 1.246 157 G CA 1.609 46.648 45.100 -0.101 0.000 1.000 157 G HN 0.581 nan 8.290 nan 0.000 0.550 158 Q N -0.551 119.202 119.800 -0.078 0.000 2.311 158 Q HA 0.484 4.823 4.340 -0.001 0.000 0.203 158 Q C 2.056 178.005 176.000 -0.085 0.000 0.954 158 Q CA 1.905 57.663 55.803 -0.076 0.000 0.885 158 Q CB -0.482 28.221 28.738 -0.058 0.000 0.963 158 Q HN 1.485 nan 8.270 nan 0.000 0.471 159 S N 0.714 116.367 115.700 -0.077 0.000 2.563 159 S HA 0.513 4.982 4.470 -0.001 0.000 0.284 159 S C 0.503 175.032 174.600 -0.118 0.000 1.331 159 S CA -0.048 58.109 58.200 -0.073 0.000 1.047 159 S CB 0.935 64.108 63.200 -0.045 0.000 0.859 159 S HN 0.875 nan 8.310 nan 0.000 0.514 160 A N 1.804 124.559 122.820 -0.109 0.000 2.257 160 A HA 0.645 4.964 4.320 -0.001 0.000 0.289 160 A C -0.168 177.357 177.584 -0.099 0.000 1.095 160 A CA -0.745 51.187 52.037 -0.175 0.000 0.836 160 A CB -0.047 18.892 19.000 -0.100 0.000 1.111 160 A HN 0.700 nan 8.150 nan 0.000 0.497 161 F N 1.575 121.525 119.950 0.000 0.000 2.612 161 F HA 0.090 4.617 4.527 -0.001 0.000 0.389 161 F C 1.640 177.438 175.800 -0.003 0.000 1.055 161 F CA 0.682 58.681 58.000 -0.001 0.000 1.232 161 F CB 0.374 39.376 39.000 0.003 0.000 1.044 161 F HN 0.619 nan 8.300 nan 0.000 0.560 162 S N 2.556 118.367 115.700 0.185 0.000 2.592 162 S HA 0.361 4.831 4.470 -0.001 0.000 0.271 162 S C 1.070 175.719 174.600 0.082 0.000 1.326 162 S CA -0.494 57.764 58.200 0.097 0.000 1.024 162 S CB 1.661 64.898 63.200 0.062 0.000 0.921 162 S HN 0.773 nan 8.310 nan 0.000 0.527 163 K N 1.232 121.663 120.400 0.052 0.000 2.103 163 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 163 K C 1.985 178.595 176.600 0.016 0.000 1.048 163 K CA 2.015 58.321 56.287 0.032 0.000 0.930 163 K CB -1.550 30.963 32.500 0.022 0.000 0.716 163 K HN 0.897 nan 8.250 nan 0.000 0.444 164 E N 0.113 120.322 120.200 0.016 0.000 2.058 164 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 164 E C 2.147 178.744 176.600 -0.004 0.000 0.997 164 E CA 1.561 57.964 56.400 0.005 0.000 0.801 164 E CB -0.039 29.665 29.700 0.007 0.000 0.746 164 E HN 0.762 nan 8.360 nan 0.000 0.450 165 E N 0.215 120.418 120.200 0.006 0.000 2.077 165 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 165 E C 2.260 178.824 176.600 -0.060 0.000 0.989 165 E CA 1.072 57.463 56.400 -0.016 0.000 0.800 165 E CB -0.049 29.667 29.700 0.028 0.000 0.746 165 E HN 0.307 nan 8.360 nan 0.000 0.452 166 L N 0.678 121.872 121.223 -0.049 0.000 2.131 166 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 166 L C 2.231 179.063 176.870 -0.063 0.000 1.092 166 L CA 1.149 55.940 54.840 -0.083 0.000 0.759 166 L CB -0.233 41.802 42.059 -0.040 0.000 0.903 166 L HN 0.138 nan 8.230 nan 0.000 0.435 167 E N -0.501 119.676 120.200 -0.038 0.000 2.051 167 E HA -0.146 4.203 4.350 -0.001 0.000 0.189 167 E C 2.201 178.779 176.600 -0.037 0.000 0.979 167 E CA 1.656 58.036 56.400 -0.032 0.000 0.803 167 E CB -0.010 29.678 29.700 -0.020 0.000 0.761 167 E HN 0.539 nan 8.360 nan 0.000 0.451 168 T N -0.249 114.284 114.554 -0.036 0.000 2.821 168 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 168 T C 2.463 177.135 174.700 -0.046 0.000 1.046 168 T CA 1.182 63.261 62.100 -0.036 0.000 1.139 168 T CB -1.100 67.749 68.868 -0.033 0.000 0.871 168 T HN 0.441 nan 8.240 nan 0.000 0.454 169 C N 1.665 120.927 119.300 -0.063 0.000 2.422 169 C HA 0.114 4.573 4.460 -0.001 0.000 0.279 169 C C 2.637 177.592 174.990 -0.058 0.000 1.305 169 C CA 0.141 59.115 59.018 -0.072 0.000 1.757 169 C CB -1.582 26.093 27.740 -0.109 0.000 1.962 169 C HN 0.355 nan 8.230 nan 0.000 0.499 170 M N 1.989 121.556 119.600 -0.055 0.000 2.374 170 M HA 0.135 4.615 4.480 -0.001 0.000 0.264 170 M C 1.757 178.037 176.300 -0.033 0.000 1.067 170 M CA 1.333 56.606 55.300 -0.044 0.000 1.103 170 M CB -0.832 31.742 32.600 -0.044 0.000 1.402 170 M HN 0.765 nan 8.290 nan 0.000 0.444 171 I N -2.889 117.663 120.570 -0.031 0.000 3.816 171 I HA 0.283 4.452 4.170 -0.001 0.000 0.334 171 I C -0.593 175.512 176.117 -0.022 0.000 1.551 171 I CA -0.270 61.016 61.300 -0.024 0.000 1.153 171 I CB -0.330 37.656 38.000 -0.022 0.000 1.197 171 I HN 0.071 nan 8.210 nan 0.000 0.439 172 N N 1.516 120.202 118.700 -0.023 0.000 2.747 172 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 172 N C -0.500 175.000 175.510 -0.018 0.000 1.107 172 N CA 1.058 54.099 53.050 -0.016 0.000 0.707 172 N CB -1.398 37.084 38.487 -0.008 0.000 1.054 172 N HN 0.742 nan 8.380 nan 0.000 0.555 173 Q N -0.688 119.096 119.800 -0.027 0.000 2.348 173 Q HA 0.784 5.123 4.340 -0.001 0.000 0.271 173 Q C -0.148 175.828 176.000 -0.040 0.000 1.067 173 Q CA -0.715 55.072 55.803 -0.027 0.000 0.839 173 Q CB 1.782 30.507 28.738 -0.022 0.000 1.354 173 Q HN 0.303 nan 8.270 nan 0.000 0.447 174 A N 2.055 124.853 122.820 -0.037 0.000 2.425 174 A HA 0.258 4.578 4.320 -0.001 0.000 0.242 174 A C -1.689 175.874 177.584 -0.035 0.000 1.077 174 A CA -0.876 51.132 52.037 -0.048 0.000 0.781 174 A CB -0.167 18.811 19.000 -0.036 0.000 1.020 174 A HN 0.593 nan 8.150 nan 0.000 0.494 175 P HA 0.050 nan 4.420 nan 0.000 0.240 175 P C 1.435 178.689 177.300 -0.077 0.000 1.190 175 P CA 1.006 64.074 63.100 -0.054 0.000 0.781 175 P CB 0.046 31.732 31.700 -0.024 0.000 0.931 176 G N 0.650 109.410 108.800 -0.066 0.000 2.476 176 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 176 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 176 G C 0.398 175.231 174.900 -0.111 0.000 1.164 176 G CA 0.625 45.675 45.100 -0.084 0.000 0.768 176 G HN 0.347 nan 8.290 nan 0.000 0.560 177 C N 2.642 121.877 119.300 -0.109 0.000 2.206 177 C HA 0.473 4.932 4.460 -0.001 0.000 0.324 177 C C -2.060 172.818 174.990 -0.186 0.000 1.120 177 C CA -1.735 57.204 59.018 -0.132 0.000 1.546 177 C CB 0.767 28.460 27.740 -0.078 0.000 2.023 177 C HN 0.267 nan 8.230 nan 0.000 0.448 178 P HA 0.154 nan 4.420 nan 0.000 0.274 178 P C -0.098 176.981 177.300 -0.369 0.000 1.237 178 P CA 0.056 62.861 63.100 -0.492 0.000 0.793 178 P CB 0.731 31.799 31.700 -1.054 0.000 0.977 179 D N 0.562 120.848 120.400 -0.189 0.000 2.881 179 D HA 0.083 4.723 4.640 -0.001 0.000 0.240 179 D C -0.217 176.196 176.300 0.188 0.000 1.249 179 D CA -0.266 53.754 54.000 0.032 0.000 0.839 179 D CB -0.955 39.905 40.800 0.099 0.000 1.042 179 D HN 0.313 nan 8.370 nan 0.000 0.475 180 Y N -0.015 120.171 120.300 -0.191 0.000 2.300 180 Y HA 0.219 4.769 4.550 -0.001 0.000 0.328 180 Y C 1.418 177.103 175.900 -0.359 0.000 1.270 180 Y CA -0.907 57.048 58.100 -0.240 0.000 1.352 180 Y CB 1.034 39.361 38.460 -0.221 0.000 1.286 180 Y HN -0.007 nan 8.280 nan 0.000 0.536 181 S N 1.651 117.171 115.700 -0.301 0.000 2.634 181 S HA 0.659 5.128 4.470 -0.001 0.000 0.296 181 S C -1.292 172.704 174.600 -1.005 0.000 1.104 181 S CA -0.923 56.633 58.200 -1.073 0.000 0.920 181 S CB 2.101 64.900 63.200 -0.669 0.000 1.111 181 S HN 0.395 nan 8.310 nan 0.000 0.493 182 I N 1.875 121.499 120.570 -1.576 0.000 2.406 182 I HA 0.409 4.578 4.170 -0.001 0.000 0.290 182 I C -0.473 175.323 176.117 -0.536 0.000 0.999 182 I CA -0.763 59.959 61.300 -0.963 0.000 1.124 182 I CB 1.515 38.776 38.000 -1.232 0.000 1.289 182 I HN 0.790 nan 8.210 nan 0.000 0.441 183 L N 7.005 128.015 121.223 -0.354 0.000 2.305 183 L HA 0.459 4.798 4.340 -0.001 0.000 0.281 183 L C 0.355 177.151 176.870 -0.122 0.000 1.085 183 L CA 0.240 54.929 54.840 -0.251 0.000 0.813 183 L CB 0.912 42.809 42.059 -0.270 0.000 1.157 183 L HN 0.861 nan 8.230 nan 0.000 0.436 184 S N 2.960 118.627 115.700 -0.055 0.000 2.704 184 S HA 0.682 5.152 4.470 -0.001 0.000 0.296 184 S C -0.876 173.720 174.600 -0.006 0.000 1.138 184 S CA -0.786 57.517 58.200 0.172 0.000 0.875 184 S CB 1.469 64.936 63.200 0.445 0.000 1.151 184 S HN 0.386 nan 8.310 nan 0.000 0.500 185 F N 0.680 120.830 119.950 0.333 0.000 2.522 185 F HA 0.608 5.134 4.527 -0.001 0.000 0.324 185 F C 0.344 176.293 175.800 0.249 0.000 1.077 185 F CA -1.111 57.057 58.000 0.280 0.000 0.944 185 F CB 1.754 41.002 39.000 0.414 0.000 1.175 185 F HN 0.595 nan 8.300 nan 0.000 0.468 186 M N 2.229 122.001 119.600 0.286 0.000 2.250 186 M HA 0.343 4.823 4.480 -0.001 0.000 0.337 186 M C 1.072 177.546 176.300 0.289 0.000 1.161 186 M CA 0.932 56.364 55.300 0.220 0.000 1.088 186 M CB -0.369 32.319 32.600 0.148 0.000 1.639 186 M HN 0.877 nan 8.290 nan 0.000 0.447 187 G N 2.656 111.601 108.800 0.241 0.000 2.179 187 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.260 187 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.260 187 G C 0.256 175.223 174.900 0.111 0.000 0.977 187 G CA 0.451 45.641 45.100 0.149 0.000 0.641 187 G HN 1.363 nan 8.290 nan 0.000 0.533 188 A N -0.455 122.481 122.820 0.194 0.000 2.351 188 A HA 0.739 5.059 4.320 -0.001 0.000 0.257 188 A C -0.498 177.072 177.584 -0.023 0.000 1.087 188 A CA 0.211 52.280 52.037 0.053 0.000 0.798 188 A CB 0.686 19.818 19.000 0.221 0.000 1.033 188 A HN 1.391 nan 8.150 nan 0.000 0.488 189 F N 1.449 121.151 119.950 -0.414 0.000 2.562 189 F HA 0.515 5.041 4.527 -0.001 0.000 0.319 189 F C 0.103 175.598 175.800 -0.509 0.000 1.154 189 F CA -0.451 57.354 58.000 -0.326 0.000 0.931 189 F CB 1.540 40.461 39.000 -0.131 0.000 1.198 189 F HN 0.671 nan 8.300 nan 0.000 0.444 190 H N 3.910 122.674 119.070 -0.510 0.000 3.052 190 H HA 0.462 5.017 4.556 -0.001 0.000 0.257 190 H C 0.660 175.724 175.328 -0.439 0.000 1.193 190 H CA 0.238 56.114 56.048 -0.286 0.000 1.072 190 H CB 0.783 30.506 29.762 -0.065 0.000 1.685 190 H HN 0.851 nan 8.280 nan 0.000 0.630 191 G N 0.979 109.234 108.800 -0.908 0.000 2.479 191 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 191 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 191 G C -0.144 174.484 174.900 -0.454 0.000 1.295 191 G CA -0.834 43.955 45.100 -0.518 0.000 0.922 191 G HN 0.252 nan 8.290 nan 0.000 0.582 192 R N -0.518 119.866 120.500 -0.194 0.000 2.531 192 R HA 0.272 4.612 4.340 -0.001 0.000 0.316 192 R C 1.248 177.522 176.300 -0.043 0.000 0.955 192 R CA 0.471 56.506 56.100 -0.109 0.000 1.120 192 R CB 0.762 31.035 30.300 -0.045 0.000 1.361 192 R HN 0.872 nan 8.270 nan 0.000 0.534 193 T N -1.482 113.055 114.554 -0.029 0.000 2.856 193 T HA 0.096 4.445 4.350 -0.001 0.000 0.306 193 T C 1.451 176.171 174.700 0.033 0.000 1.062 193 T CA -0.299 61.804 62.100 0.006 0.000 1.083 193 T CB 0.942 69.818 68.868 0.013 0.000 0.984 193 T HN -0.040 nan 8.240 nan 0.000 0.542 194 M N 1.275 120.904 119.600 0.049 0.000 2.279 194 M HA -0.007 4.472 4.480 -0.001 0.000 0.264 194 M C 2.506 178.896 176.300 0.149 0.000 1.062 194 M CA 1.703 57.035 55.300 0.053 0.000 1.099 194 M CB -0.845 31.765 32.600 0.017 0.000 1.394 194 M HN 0.979 nan 8.290 nan 0.000 0.426 195 G N -0.226 108.721 108.800 0.245 0.000 2.424 195 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.214 195 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.214 195 G C 1.489 176.656 174.900 0.445 0.000 1.202 195 G CA 0.754 46.100 45.100 0.410 0.000 0.793 195 G HN 0.463 nan 8.290 nan 0.000 0.534 196 C N 0.117 119.624 119.300 0.344 0.000 2.401 196 C HA -0.055 4.405 4.460 -0.001 0.000 0.276 196 C C 2.740 177.805 174.990 0.125 0.000 1.233 196 C CA 0.757 59.932 59.018 0.262 0.000 1.753 196 C CB -1.091 26.650 27.740 0.003 0.000 2.029 196 C HN 0.414 nan 8.230 nan 0.000 0.478 197 L N 1.766 123.011 121.223 0.036 0.000 2.079 197 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 197 L C 2.595 179.434 176.870 -0.053 0.000 1.081 197 L CA 2.161 56.971 54.840 -0.050 0.000 0.752 197 L CB -0.822 41.216 42.059 -0.036 0.000 0.896 197 L HN 0.288 nan 8.230 nan 0.000 0.433 198 A N -1.568 121.258 122.820 0.010 0.000 2.019 198 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 198 A C 2.198 179.826 177.584 0.072 0.000 1.164 198 A CA 2.023 54.050 52.037 -0.017 0.000 0.644 198 A CB -1.102 17.783 19.000 -0.193 0.000 0.805 198 A HN 0.605 nan 8.150 nan 0.000 0.449 199 T N -4.158 110.476 114.554 0.133 0.000 3.107 199 T HA 0.160 4.510 4.350 -0.001 0.000 0.249 199 T C 0.611 175.285 174.700 -0.042 0.000 1.096 199 T CA 0.615 62.857 62.100 0.236 0.000 1.012 199 T CB -0.287 68.797 68.868 0.361 0.000 0.977 199 T HN 0.150 nan 8.240 nan 0.000 0.527 200 T N 2.877 117.209 114.554 -0.369 0.000 2.856 200 T HA 0.347 4.696 4.350 -0.001 0.000 0.292 200 T C -0.425 173.784 174.700 -0.818 0.000 0.980 200 T CA -0.449 61.392 62.100 -0.431 0.000 1.091 200 T CB 0.424 69.095 68.868 -0.328 0.000 0.936 200 T HN 0.389 nan 8.240 nan 0.000 0.503 201 H N 1.441 120.595 119.070 0.140 0.000 2.947 201 H HA 0.209 4.765 4.556 -0.001 0.000 0.222 201 H C 0.938 176.346 175.328 0.134 0.000 1.414 201 H CA -0.265 55.863 56.048 0.133 0.000 1.224 201 H CB 0.096 29.938 29.762 0.134 0.000 2.100 201 H HN 0.638 nan 8.280 nan 0.000 0.524 202 S N -0.092 115.738 115.700 0.217 0.000 2.384 202 S HA 0.122 4.591 4.470 -0.001 0.000 0.217 202 S C 0.788 175.419 174.600 0.051 0.000 1.041 202 S CA 0.191 58.512 58.200 0.203 0.000 0.948 202 S CB 1.301 64.755 63.200 0.423 0.000 0.872 202 S HN 0.266 nan 8.310 nan 0.000 0.512 203 K N -0.643 119.716 120.400 -0.069 0.000 2.542 203 K HA 0.646 4.965 4.320 -0.001 0.000 0.259 203 K C 0.420 176.914 176.600 -0.178 0.000 0.932 203 K CA -0.063 56.072 56.287 -0.253 0.000 0.820 203 K CB 1.671 33.799 32.500 -0.619 0.000 1.345 203 K HN 0.113 nan 8.250 nan 0.000 0.432 204 A N 3.393 126.162 122.820 -0.086 0.000 1.908 204 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 204 A C 1.685 179.264 177.584 -0.008 0.000 1.181 204 A CA 1.661 53.688 52.037 -0.018 0.000 0.627 204 A CB -0.493 18.504 19.000 -0.005 0.000 0.818 204 A HN 0.736 nan 8.150 nan 0.000 0.445 205 I N -0.126 120.415 120.570 -0.049 0.000 2.423 205 I HA -0.253 3.917 4.170 -0.001 0.000 0.254 205 I C 2.035 178.236 176.117 0.140 0.000 1.151 205 I CA 1.629 62.944 61.300 0.025 0.000 1.421 205 I CB -0.530 37.481 38.000 0.019 0.000 1.079 205 I HN 0.519 nan 8.210 nan 0.000 0.431 206 H N -0.550 118.554 119.070 0.057 0.000 2.428 206 H HA -0.000 4.555 4.556 -0.001 0.000 0.296 206 H C 1.606 176.962 175.328 0.048 0.000 1.062 206 H CA 0.677 56.770 56.048 0.074 0.000 1.350 206 H CB 0.252 30.092 29.762 0.129 0.000 1.403 206 H HN 0.221 nan 8.280 nan 0.000 0.533 207 K N 0.517 121.012 120.400 0.159 0.000 2.335 207 K HA 0.122 4.441 4.320 -0.001 0.000 0.195 207 K C 0.818 177.449 176.600 0.050 0.000 1.058 207 K CA -0.135 56.203 56.287 0.085 0.000 0.988 207 K CB 0.498 33.045 32.500 0.077 0.000 0.880 207 K HN 0.168 nan 8.250 nan 0.000 0.513 208 I N 2.722 123.322 120.570 0.050 0.000 2.752 208 I HA -0.174 3.995 4.170 -0.001 0.000 0.287 208 I C -0.278 175.850 176.117 0.019 0.000 1.188 208 I CA 1.036 62.354 61.300 0.030 0.000 1.427 208 I CB 0.330 38.347 38.000 0.028 0.000 1.365 208 I HN 0.337 nan 8.210 nan 0.000 0.585 209 D N 4.174 124.577 120.400 0.006 0.000 2.911 209 D HA -0.166 4.474 4.640 -0.001 0.000 0.199 209 D C -0.492 175.798 176.300 -0.017 0.000 1.041 209 D CA 0.937 54.934 54.000 -0.004 0.000 1.013 209 D CB -0.840 39.961 40.800 0.001 0.000 1.093 209 D HN 0.202 nan 8.370 nan 0.000 0.431 210 I N 1.289 121.847 120.570 -0.020 0.000 2.354 210 I HA 0.316 4.486 4.170 -0.001 0.000 0.292 210 I C -1.726 174.348 176.117 -0.072 0.000 0.989 210 I CA -1.918 59.358 61.300 -0.040 0.000 1.188 210 I CB 0.497 38.480 38.000 -0.029 0.000 1.342 210 I HN -0.308 nan 8.210 nan 0.000 0.457 211 P HA 0.176 nan 4.420 nan 0.000 0.266 211 P C -0.105 177.055 177.300 -0.233 0.000 1.195 211 P CA 0.237 63.240 63.100 -0.162 0.000 0.768 211 P CB 0.920 32.512 31.700 -0.181 0.000 0.838 212 S N 1.268 116.800 115.700 -0.280 0.000 2.900 212 S HA 0.733 5.202 4.470 -0.001 0.000 0.320 212 S C -1.454 172.816 174.600 -0.549 0.000 1.130 212 S CA -0.675 57.328 58.200 -0.329 0.000 0.863 212 S CB 0.409 63.519 63.200 -0.150 0.000 1.295 212 S HN 0.201 nan 8.310 nan 0.000 0.596 213 F N 1.400 121.077 119.950 -0.455 0.000 2.508 213 F HA 0.339 4.866 4.527 -0.001 0.000 0.325 213 F C -0.051 175.494 175.800 -0.425 0.000 1.090 213 F CA -0.740 56.862 58.000 -0.664 0.000 0.945 213 F CB 1.446 39.421 39.000 -1.708 0.000 1.156 213 F HN 0.476 nan 8.300 nan 0.000 0.463 214 D N 3.496 123.930 120.400 0.056 0.000 2.498 214 D HA 0.045 4.684 4.640 -0.001 0.000 0.229 214 D C -1.231 175.369 176.300 0.500 0.000 1.188 214 D CA 0.145 54.283 54.000 0.229 0.000 1.028 214 D CB -0.127 40.816 40.800 0.238 0.000 1.087 214 D HN 0.155 nan 8.370 nan 0.000 0.510 215 W N 3.252 124.635 121.300 0.137 0.000 2.706 215 W HA 0.404 5.064 4.660 -0.001 0.000 0.346 215 W C -2.043 174.281 176.519 -0.326 0.000 1.071 215 W CA -3.021 54.266 57.345 -0.096 0.000 1.206 215 W CB 0.362 29.775 29.460 -0.078 0.000 1.413 215 W HN 0.171 nan 8.180 nan 0.000 0.542 216 P HA 0.255 nan 4.420 nan 0.000 0.271 216 P C -0.441 176.693 177.300 -0.276 0.000 1.216 216 P CA 0.300 63.019 63.100 -0.635 0.000 0.776 216 P CB 0.948 32.122 31.700 -0.877 0.000 0.881 217 I N 1.603 122.042 120.570 -0.219 0.000 2.439 217 I HA 0.503 4.672 4.170 -0.001 0.000 0.283 217 I C 0.132 176.115 176.117 -0.224 0.000 1.023 217 I CA -0.894 60.257 61.300 -0.248 0.000 1.100 217 I CB 1.836 39.646 38.000 -0.318 0.000 1.238 217 I HN 0.279 nan 8.210 nan 0.000 0.445 218 A N 8.328 130.954 122.820 -0.323 0.000 2.306 218 A HA 0.873 5.192 4.320 -0.001 0.000 0.330 218 A C -2.610 174.961 177.584 -0.021 0.000 1.146 218 A CA -1.707 50.170 52.037 -0.266 0.000 0.827 218 A CB 0.611 19.290 19.000 -0.535 0.000 1.178 218 A HN 0.404 nan 8.150 nan 0.000 0.490 219 P HA 0.235 nan 4.420 nan 0.000 0.276 219 P C -0.963 176.612 177.300 0.459 0.000 1.230 219 P CA 0.091 63.332 63.100 0.235 0.000 0.776 219 P CB 0.444 32.219 31.700 0.125 0.000 0.888 220 F N 5.706 125.854 119.950 0.330 0.000 2.396 220 F HA 0.397 4.923 4.527 -0.001 0.000 0.343 220 F C -1.929 173.846 175.800 -0.042 0.000 1.104 220 F CA -2.572 55.525 58.000 0.162 0.000 1.161 220 F CB 0.546 39.604 39.000 0.098 0.000 1.146 220 F HN 0.200 nan 8.300 nan 0.000 0.522 221 P HA -0.028 nan 4.420 nan 0.000 0.261 221 P C -1.147 176.045 177.300 -0.180 0.000 1.183 221 P CA 0.248 63.019 63.100 -0.548 0.000 0.761 221 P CB 0.295 31.396 31.700 -0.999 0.000 0.785 222 R N 4.678 125.146 120.500 -0.053 0.000 2.215 222 R HA 0.329 4.668 4.340 -0.001 0.000 0.337 222 R C -0.361 175.925 176.300 -0.024 0.000 1.010 222 R CA -0.543 55.582 56.100 0.042 0.000 0.871 222 R CB 0.022 30.358 30.300 0.060 0.000 1.134 222 R HN 0.465 nan 8.270 nan 0.000 0.477 223 L N 4.117 125.344 121.223 0.008 0.000 2.418 223 L HA 0.315 4.654 4.340 -0.001 0.000 0.265 223 L C 0.262 177.020 176.870 -0.186 0.000 1.143 223 L CA -0.270 54.484 54.840 -0.144 0.000 0.809 223 L CB 1.025 42.942 42.059 -0.237 0.000 1.124 223 L HN 0.522 nan 8.230 nan 0.000 0.456 224 K N 2.011 122.175 120.400 -0.395 0.000 2.159 224 K HA 0.504 4.824 4.320 -0.001 0.000 0.266 224 K C -1.506 174.782 176.600 -0.521 0.000 0.975 224 K CA -0.562 55.411 56.287 -0.522 0.000 0.865 224 K CB 1.559 33.414 32.500 -1.075 0.000 1.087 224 K HN 0.233 nan 8.250 nan 0.000 0.446 225 Y N 1.235 121.458 120.300 -0.128 0.000 2.509 225 Y HA 0.334 4.884 4.550 -0.001 0.000 0.341 225 Y C -2.039 174.025 175.900 0.273 0.000 1.038 225 Y CA -2.585 55.580 58.100 0.107 0.000 1.089 225 Y CB 0.953 39.456 38.460 0.072 0.000 1.241 225 Y HN 0.483 nan 8.280 nan 0.000 0.468 226 P HA 0.207 nan 4.420 nan 0.000 0.275 226 P C 0.540 177.985 177.300 0.242 0.000 1.228 226 P CA -0.287 63.014 63.100 0.336 0.000 0.786 226 P CB 0.929 32.759 31.700 0.216 0.000 0.927 227 L N 1.324 122.609 121.223 0.103 0.000 2.081 227 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 227 L C 1.880 178.780 176.870 0.050 0.000 1.080 227 L CA 1.879 56.713 54.840 -0.009 0.000 0.754 227 L CB -0.868 41.173 42.059 -0.031 0.000 0.893 227 L HN 0.470 nan 8.230 nan 0.000 0.433 228 E N -0.174 120.057 120.200 0.052 0.000 2.418 228 E HA -0.158 4.192 4.350 -0.001 0.000 0.197 228 E C 1.421 178.001 176.600 -0.034 0.000 1.026 228 E CA 0.721 57.130 56.400 0.016 0.000 0.862 228 E CB -0.237 29.474 29.700 0.018 0.000 0.799 228 E HN 0.491 nan 8.360 nan 0.000 0.518 229 E N -0.547 119.614 120.200 -0.065 0.000 2.474 229 E HA 0.136 4.486 4.350 -0.001 0.000 0.195 229 E C -0.255 175.997 176.600 -0.580 0.000 1.039 229 E CA 0.036 56.251 56.400 -0.309 0.000 0.881 229 E CB 0.217 29.676 29.700 -0.400 0.000 0.970 229 E HN 0.283 nan 8.360 nan 0.000 0.486 230 F N -0.598 119.331 119.950 -0.036 0.000 2.733 230 F HA 0.135 4.662 4.527 -0.001 0.000 0.380 230 F C 1.118 176.884 175.800 -0.058 0.000 1.324 230 F CA -0.284 57.687 58.000 -0.048 0.000 1.178 230 F CB 0.711 39.670 39.000 -0.070 0.000 1.093 230 F HN -0.162 nan 8.300 nan 0.000 0.512 231 V N -0.100 119.848 119.914 0.057 0.000 2.255 231 V HA -0.310 3.810 4.120 -0.001 0.000 0.247 231 V C 2.285 178.398 176.094 0.032 0.000 1.051 231 V CA 2.206 64.524 62.300 0.031 0.000 1.018 231 V CB -0.578 31.250 31.823 0.007 0.000 0.641 231 V HN 0.296 nan 8.190 nan 0.000 0.445 232 K N -0.808 119.611 120.400 0.032 0.000 2.057 232 K HA -0.151 4.169 4.320 -0.001 0.000 0.206 232 K C 2.086 178.712 176.600 0.043 0.000 1.050 232 K CA 1.407 57.712 56.287 0.029 0.000 0.935 232 K CB -0.474 32.038 32.500 0.021 0.000 0.715 232 K HN 0.705 nan 8.250 nan 0.000 0.439 233 E N 0.801 121.053 120.200 0.087 0.000 2.077 233 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 233 E C 2.040 178.655 176.600 0.025 0.000 0.989 233 E CA 1.438 57.892 56.400 0.090 0.000 0.800 233 E CB -0.236 29.588 29.700 0.207 0.000 0.746 233 E HN 0.278 nan 8.360 nan 0.000 0.452 234 N N 0.396 119.106 118.700 0.018 0.000 2.188 234 N HA -0.127 4.613 4.740 -0.001 0.000 0.184 234 N C 1.669 177.149 175.510 -0.051 0.000 1.018 234 N CA 0.876 53.895 53.050 -0.051 0.000 0.858 234 N CB -0.170 38.274 38.487 -0.072 0.000 0.989 234 N HN 0.253 nan 8.380 nan 0.000 0.426 235 Q N 0.376 120.164 119.800 -0.019 0.000 2.061 235 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 235 Q C 2.515 178.507 176.000 -0.014 0.000 0.984 235 Q CA 2.322 58.117 55.803 -0.013 0.000 0.846 235 Q CB -0.349 28.390 28.738 0.001 0.000 0.902 235 Q HN 0.617 nan 8.270 nan 0.000 0.421 236 Q N 1.025 120.820 119.800 -0.008 0.000 2.119 236 Q HA -0.210 4.129 4.340 -0.001 0.000 0.201 236 Q C 1.657 177.647 176.000 -0.017 0.000 0.972 236 Q CA 1.755 57.555 55.803 -0.005 0.000 0.847 236 Q CB -0.583 28.159 28.738 0.005 0.000 0.903 236 Q HN 0.476 nan 8.270 nan 0.000 0.433 237 E N 0.644 120.821 120.200 -0.038 0.000 2.051 237 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 237 E C 1.914 178.462 176.600 -0.087 0.000 0.991 237 E CA 1.849 58.210 56.400 -0.064 0.000 0.799 237 E CB -0.149 29.494 29.700 -0.096 0.000 0.748 237 E HN 0.789 nan 8.360 nan 0.000 0.449 238 E N -0.198 119.938 120.200 -0.106 0.000 2.077 238 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 238 E C 2.071 178.702 176.600 0.051 0.000 0.989 238 E CA 0.951 57.297 56.400 -0.089 0.000 0.800 238 E CB -0.237 29.420 29.700 -0.073 0.000 0.746 238 E HN 0.419 nan 8.360 nan 0.000 0.452 239 A N 1.627 124.461 122.820 0.024 0.000 1.902 239 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 239 A C 2.104 179.705 177.584 0.028 0.000 1.181 239 A CA 1.502 53.555 52.037 0.026 0.000 0.623 239 A CB -0.482 18.524 19.000 0.010 0.000 0.818 239 A HN 0.094 nan 8.150 nan 0.000 0.443 240 R N -0.549 119.961 120.500 0.018 0.000 2.083 240 R HA -0.185 4.155 4.340 -0.001 0.000 0.237 240 R C 2.158 178.482 176.300 0.039 0.000 1.137 240 R CA 2.135 58.246 56.100 0.019 0.000 0.951 240 R CB -0.760 29.545 30.300 0.008 0.000 0.851 240 R HN 0.550 nan 8.270 nan 0.000 0.434 241 C N 0.623 119.956 119.300 0.055 0.000 2.429 241 C HA -0.039 4.421 4.460 -0.001 0.000 0.277 241 C C 2.677 177.767 174.990 0.165 0.000 1.262 241 C CA 0.488 59.576 59.018 0.117 0.000 1.733 241 C CB -0.929 26.874 27.740 0.105 0.000 2.010 241 C HN 0.513 nan 8.230 nan 0.000 0.483 242 L N 0.991 122.309 121.223 0.158 0.000 2.046 242 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 242 L C 3.050 179.934 176.870 0.023 0.000 1.077 242 L CA 2.223 57.101 54.840 0.063 0.000 0.747 242 L CB -1.093 40.960 42.059 -0.011 0.000 0.896 242 L HN 0.526 nan 8.230 nan 0.000 0.432 243 E N 0.468 120.683 120.200 0.025 0.000 2.051 243 E HA -0.271 4.078 4.350 -0.001 0.000 0.192 243 E C 1.943 178.547 176.600 0.006 0.000 0.991 243 E CA 1.618 58.026 56.400 0.012 0.000 0.799 243 E CB -0.694 29.015 29.700 0.014 0.000 0.748 243 E HN 0.639 nan 8.360 nan 0.000 0.449 244 E N -0.125 120.084 120.200 0.016 0.000 2.110 244 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 244 E C 2.330 178.912 176.600 -0.031 0.000 0.988 244 E CA 1.072 57.473 56.400 0.002 0.000 0.804 244 E CB -0.119 29.590 29.700 0.015 0.000 0.745 244 E HN 0.388 nan 8.360 nan 0.000 0.458 245 V N 1.320 121.217 119.914 -0.029 0.000 2.255 245 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 245 V C 2.350 178.372 176.094 -0.121 0.000 1.051 245 V CA 2.235 64.481 62.300 -0.090 0.000 1.018 245 V CB -0.427 31.378 31.823 -0.031 0.000 0.641 245 V HN 0.285 nan 8.190 nan 0.000 0.445 246 E N -0.139 120.003 120.200 -0.096 0.000 2.077 246 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 246 E C 1.868 178.384 176.600 -0.140 0.000 0.989 246 E CA 1.588 57.897 56.400 -0.151 0.000 0.800 246 E CB -0.114 29.566 29.700 -0.033 0.000 0.746 246 E HN 0.602 nan 8.360 nan 0.000 0.452 247 D N 0.245 120.608 120.400 -0.062 0.000 2.144 247 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 247 D C 2.019 178.306 176.300 -0.021 0.000 0.984 247 D CA 0.788 54.770 54.000 -0.030 0.000 0.834 247 D CB -0.116 40.680 40.800 -0.006 0.000 0.955 247 D HN 0.282 nan 8.370 nan 0.000 0.465 248 L N 0.295 121.495 121.223 -0.039 0.000 2.056 248 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 248 L C 2.500 179.372 176.870 0.004 0.000 1.078 248 L CA 0.557 55.400 54.840 0.004 0.000 0.749 248 L CB -0.200 41.804 42.059 -0.092 0.000 0.901 248 L HN -0.002 nan 8.230 nan 0.000 0.433 249 I N -0.984 119.508 120.570 -0.130 0.000 2.163 249 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 249 I C 2.458 178.522 176.117 -0.090 0.000 1.085 249 I CA 1.179 62.374 61.300 -0.176 0.000 1.347 249 I CB -0.312 37.448 38.000 -0.401 0.000 1.044 249 I HN 0.011 nan 8.210 nan 0.000 0.408 250 V N 1.075 120.930 119.914 -0.098 0.000 2.295 250 V HA -0.333 3.787 4.120 -0.001 0.000 0.246 250 V C 2.548 178.654 176.094 0.020 0.000 1.049 250 V CA 2.177 64.469 62.300 -0.014 0.000 1.024 250 V CB -0.712 31.114 31.823 0.005 0.000 0.648 250 V HN 0.440 nan 8.190 nan 0.000 0.447 251 K N -1.015 119.409 120.400 0.041 0.000 2.063 251 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 251 K C 2.149 178.737 176.600 -0.020 0.000 1.048 251 K CA 1.982 58.284 56.287 0.025 0.000 0.928 251 K CB -0.294 32.242 32.500 0.061 0.000 0.713 251 K HN 0.486 nan 8.250 nan 0.000 0.442 252 Y N 0.190 120.461 120.300 -0.048 0.000 2.395 252 Y HA -0.128 4.422 4.550 -0.001 0.000 0.293 252 Y C 2.816 178.685 175.900 -0.051 0.000 1.123 252 Y CA 1.018 59.092 58.100 -0.043 0.000 1.227 252 Y CB -0.322 38.101 38.460 -0.061 0.000 1.012 252 Y HN -0.018 nan 8.280 nan 0.000 0.552 253 R N 0.853 121.384 120.500 0.052 0.000 2.091 253 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 253 R C 2.000 178.298 176.300 -0.003 0.000 1.136 253 R CA 1.974 58.078 56.100 0.007 0.000 0.959 253 R CB -0.600 29.712 30.300 0.019 0.000 0.856 253 R HN 0.461 nan 8.270 nan 0.000 0.437 254 K N -0.005 120.386 120.400 -0.016 0.000 2.148 254 K HA -0.011 4.309 4.320 -0.001 0.000 0.204 254 K C 2.333 178.904 176.600 -0.050 0.000 1.050 254 K CA 1.724 57.995 56.287 -0.027 0.000 0.942 254 K CB -0.100 32.382 32.500 -0.032 0.000 0.724 254 K HN 0.280 nan 8.250 nan 0.000 0.446 255 K N 0.766 121.108 120.400 -0.096 0.000 2.439 255 K HA -0.007 4.313 4.320 -0.001 0.000 0.197 255 K C -0.015 176.561 176.600 -0.040 0.000 1.041 255 K CA 0.487 56.704 56.287 -0.117 0.000 0.970 255 K CB 0.117 32.450 32.500 -0.279 0.000 0.773 255 K HN 0.029 nan 8.250 nan 0.000 0.479 256 K N 0.185 120.581 120.400 -0.006 0.000 3.192 256 K HA -0.188 4.132 4.320 -0.001 0.000 0.278 256 K C -0.843 175.810 176.600 0.088 0.000 1.164 256 K CA 0.738 57.050 56.287 0.042 0.000 0.816 256 K CB -1.261 31.269 32.500 0.050 0.000 1.256 256 K HN 0.142 nan 8.250 nan 0.000 0.497 257 K N 1.317 121.767 120.400 0.083 0.000 3.082 257 K HA 0.118 4.437 4.320 -0.001 0.000 0.203 257 K C -0.468 176.184 176.600 0.087 0.000 1.177 257 K CA -0.280 56.109 56.287 0.170 0.000 1.041 257 K CB 0.951 33.620 32.500 0.281 0.000 1.312 257 K HN 0.036 nan 8.250 nan 0.000 0.526 258 T N 1.160 115.647 114.554 -0.112 0.000 2.866 258 T HA -0.028 4.322 4.350 -0.001 0.000 0.293 258 T C 0.587 175.013 174.700 -0.456 0.000 1.005 258 T CA -0.057 61.826 62.100 -0.362 0.000 1.162 258 T CB 0.570 69.001 68.868 -0.728 0.000 0.968 258 T HN 0.012 nan 8.240 nan 0.000 0.530 259 V N 4.022 123.741 119.914 -0.325 0.000 2.403 259 V HA 0.199 4.319 4.120 -0.001 0.000 0.265 259 V C 1.326 177.180 176.094 -0.399 0.000 1.034 259 V CA 0.046 62.146 62.300 -0.333 0.000 1.036 259 V CB -0.147 31.534 31.823 -0.237 0.000 1.032 259 V HN 1.136 nan 8.190 nan 0.000 0.478 260 A N 4.185 126.741 122.820 -0.440 0.000 2.021 260 A HA 0.540 4.860 4.320 -0.001 0.000 0.216 260 A C 1.161 178.761 177.584 0.026 0.000 1.163 260 A CA 0.980 52.804 52.037 -0.356 0.000 0.676 260 A CB 0.054 18.963 19.000 -0.151 0.000 0.818 260 A HN 0.983 nan 8.150 nan 0.000 0.453 261 G N -1.506 107.209 108.800 -0.142 0.000 2.677 261 G HA2 0.539 4.499 3.960 -0.001 0.000 0.291 261 G HA3 0.539 4.499 3.960 -0.001 0.000 0.291 261 G C -1.429 173.395 174.900 -0.126 0.000 1.435 261 G CA -0.588 44.462 45.100 -0.084 0.000 0.826 261 G HN 0.095 nan 8.290 nan 0.000 0.491 262 I N 0.932 121.502 120.570 -0.000 0.000 2.465 262 I HA 0.484 4.654 4.170 -0.001 0.000 0.291 262 I C -0.561 175.578 176.117 0.036 0.000 1.014 262 I CA -0.763 60.578 61.300 0.068 0.000 1.093 262 I CB 2.143 40.308 38.000 0.275 0.000 1.267 262 I HN 0.389 nan 8.210 nan 0.000 0.431 263 I N 7.243 127.831 120.570 0.031 0.000 2.441 263 I HA 0.701 4.870 4.170 -0.001 0.000 0.295 263 I C -1.387 174.858 176.117 0.215 0.000 0.994 263 I CA -0.559 60.718 61.300 -0.037 0.000 1.144 263 I CB 1.771 39.650 38.000 -0.201 0.000 1.314 263 I HN 0.391 nan 8.210 nan 0.000 0.445 264 V N 6.547 126.564 119.914 0.171 0.000 3.120 264 V HA 0.425 4.545 4.120 -0.001 0.000 0.303 264 V C -1.151 175.137 176.094 0.323 0.000 1.238 264 V CA -0.452 62.076 62.300 0.380 0.000 1.008 264 V CB 2.588 34.661 31.823 0.416 0.000 1.064 264 V HN 0.836 nan 8.190 nan 0.000 0.434 265 E N 5.546 125.946 120.200 0.333 0.000 2.249 265 E HA 0.354 4.704 4.350 -0.001 0.000 0.280 265 E C -1.969 174.748 176.600 0.194 0.000 1.016 265 E CA -1.623 54.894 56.400 0.195 0.000 0.830 265 E CB 1.763 31.511 29.700 0.080 0.000 1.081 265 E HN 0.509 nan 8.360 nan 0.000 0.395 266 P HA -0.086 nan 4.420 nan 0.000 0.220 266 P C -0.312 176.956 177.300 -0.054 0.000 1.148 266 P CA 1.261 64.259 63.100 -0.171 0.000 0.803 266 P CB 0.321 31.909 31.700 -0.187 0.000 0.782 267 I N -1.235 119.268 120.570 -0.112 0.000 2.548 267 I HA 0.168 4.338 4.170 -0.001 0.000 0.287 267 I C -0.255 175.771 176.117 -0.152 0.000 1.103 267 I CA -0.850 60.325 61.300 -0.208 0.000 1.049 267 I CB 2.273 39.928 38.000 -0.575 0.000 1.232 267 I HN -0.301 nan 8.210 nan 0.000 0.429 268 Q N 3.618 123.277 119.800 -0.235 0.000 2.297 268 Q HA 0.233 4.572 4.340 -0.001 0.000 0.267 268 Q C 0.207 176.184 176.000 -0.039 0.000 1.006 268 Q CA -0.017 55.655 55.803 -0.219 0.000 0.896 268 Q CB 1.659 30.135 28.738 -0.436 0.000 1.186 268 Q HN 0.702 nan 8.270 nan 0.000 0.392 269 S N 2.173 117.889 115.700 0.026 0.000 2.460 269 S HA -0.059 4.410 4.470 -0.001 0.000 0.185 269 S C 1.285 175.866 174.600 -0.033 0.000 0.908 269 S CA -0.047 58.186 58.200 0.055 0.000 0.894 269 S CB 0.134 63.387 63.200 0.089 0.000 0.855 269 S HN 0.587 nan 8.310 nan 0.000 0.574 270 E N 1.385 121.529 120.200 -0.094 0.000 2.171 270 E HA -0.095 4.254 4.350 -0.001 0.000 0.197 270 E C 1.919 178.492 176.600 -0.044 0.000 0.997 270 E CA 1.117 57.421 56.400 -0.161 0.000 0.810 270 E CB -0.845 28.576 29.700 -0.465 0.000 0.738 270 E HN 0.559 nan 8.360 nan 0.000 0.467 271 G N -0.261 108.543 108.800 0.008 0.000 2.598 271 G HA2 0.110 4.069 3.960 -0.001 0.000 0.215 271 G HA3 0.110 4.069 3.960 -0.001 0.000 0.215 271 G C 0.919 175.825 174.900 0.009 0.000 1.131 271 G CA 0.576 45.693 45.100 0.028 0.000 0.785 271 G HN 0.425 nan 8.290 nan 0.000 0.539 272 G N -0.030 108.767 108.800 -0.005 0.000 2.223 272 G HA2 0.020 3.980 3.960 -0.001 0.000 0.200 272 G HA3 0.020 3.980 3.960 -0.001 0.000 0.200 272 G C -0.262 174.659 174.900 0.037 0.000 1.061 272 G CA -0.080 45.021 45.100 0.002 0.000 0.790 272 G HN 0.201 nan 8.290 nan 0.000 0.498 273 D N 0.382 120.810 120.400 0.046 0.000 2.802 273 D HA -0.146 4.494 4.640 -0.001 0.000 0.229 273 D C 0.212 176.627 176.300 0.192 0.000 1.203 273 D CA 1.177 55.254 54.000 0.129 0.000 0.712 273 D CB -0.548 40.354 40.800 0.171 0.000 0.973 273 D HN 0.529 nan 8.370 nan 0.000 0.407 274 N N 1.668 120.424 118.700 0.094 0.000 2.419 274 N HA 0.158 4.897 4.740 -0.001 0.000 0.264 274 N C 0.089 175.766 175.510 0.277 0.000 1.031 274 N CA -0.052 53.131 53.050 0.222 0.000 0.951 274 N CB 0.826 39.401 38.487 0.148 0.000 1.101 274 N HN 0.381 nan 8.380 nan 0.000 0.488 275 H N 0.273 119.569 119.070 0.377 0.000 2.525 275 H HA 0.703 5.258 4.556 -0.001 0.000 0.340 275 H C -0.358 175.166 175.328 0.326 0.000 1.168 275 H CA -0.755 55.528 56.048 0.390 0.000 1.247 275 H CB 1.985 31.932 29.762 0.308 0.000 1.568 275 H HN 0.576 nan 8.280 nan 0.000 0.536 276 A N 1.098 124.163 122.820 0.408 0.000 2.566 276 A HA 0.426 4.746 4.320 -0.001 0.000 0.292 276 A C -0.286 177.438 177.584 0.233 0.000 1.112 276 A CA -0.692 51.340 52.037 -0.008 0.000 0.707 276 A CB 1.258 19.814 19.000 -0.740 0.000 1.302 276 A HN 0.714 nan 8.150 nan 0.000 0.409 277 S N 0.161 115.916 115.700 0.091 0.000 2.593 277 S HA 0.226 4.695 4.470 -0.001 0.000 0.269 277 S C 0.069 174.853 174.600 0.307 0.000 1.334 277 S CA 0.118 58.428 58.200 0.184 0.000 1.015 277 S CB 0.627 63.881 63.200 0.091 0.000 0.912 277 S HN 0.546 nan 8.310 nan 0.000 0.541 278 D N 1.054 121.637 120.400 0.305 0.000 2.149 278 D HA -0.137 4.502 4.640 -0.001 0.000 0.198 278 D C 1.423 177.786 176.300 0.104 0.000 0.990 278 D CA 1.743 55.919 54.000 0.294 0.000 0.839 278 D CB -0.604 40.404 40.800 0.346 0.000 0.948 278 D HN 0.867 nan 8.370 nan 0.000 0.460 279 D N -0.404 120.051 120.400 0.092 0.000 2.116 279 D HA -0.215 4.425 4.640 -0.001 0.000 0.193 279 D C 1.907 178.173 176.300 -0.056 0.000 0.998 279 D CA 0.760 54.771 54.000 0.019 0.000 0.836 279 D CB -0.266 40.553 40.800 0.032 0.000 0.951 279 D HN 0.134 nan 8.370 nan 0.000 0.449 280 F N -0.157 119.667 119.950 -0.210 0.000 2.091 280 F HA -0.180 4.347 4.527 -0.001 0.000 0.299 280 F C 1.744 177.239 175.800 -0.508 0.000 1.103 280 F CA 1.552 59.323 58.000 -0.381 0.000 1.228 280 F CB -0.567 38.112 39.000 -0.536 0.000 0.984 280 F HN 0.001 nan 8.300 nan 0.000 0.477 281 F N 0.364 120.016 119.950 -0.497 0.000 2.206 281 F HA -0.050 4.477 4.527 -0.001 0.000 0.298 281 F C 2.530 177.832 175.800 -0.830 0.000 1.090 281 F CA 1.239 58.701 58.000 -0.896 0.000 1.323 281 F CB -0.534 37.497 39.000 -1.615 0.000 1.028 281 F HN -0.199 nan 8.300 nan 0.000 0.492 282 R N 0.478 120.731 120.500 -0.412 0.000 2.081 282 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 282 R C 2.058 178.183 176.300 -0.291 0.000 1.131 282 R CA 1.467 57.419 56.100 -0.248 0.000 0.960 282 R CB -0.374 29.870 30.300 -0.094 0.000 0.856 282 R HN 0.257 nan 8.270 nan 0.000 0.436 283 K N 0.342 120.547 120.400 -0.324 0.000 2.097 283 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 283 K C 1.995 178.354 176.600 -0.401 0.000 1.050 283 K CA 0.745 56.849 56.287 -0.305 0.000 0.938 283 K CB -0.135 32.209 32.500 -0.260 0.000 0.718 283 K HN 0.003 nan 8.250 nan 0.000 0.442 284 L N 1.412 122.270 121.223 -0.608 0.000 2.056 284 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 284 L C 2.228 178.696 176.870 -0.671 0.000 1.078 284 L CA 1.631 56.111 54.840 -0.600 0.000 0.749 284 L CB -0.361 41.271 42.059 -0.712 0.000 0.901 284 L HN 0.047 nan 8.230 nan 0.000 0.433 285 R N -0.230 119.749 120.500 -0.868 0.000 2.096 285 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 285 R C 1.769 177.773 176.300 -0.494 0.000 1.127 285 R CA 1.722 57.198 56.100 -1.040 0.000 0.968 285 R CB -0.534 29.368 30.300 -0.664 0.000 0.861 285 R HN 0.447 nan 8.270 nan 0.000 0.440 286 D N 0.353 120.558 120.400 -0.325 0.000 2.117 286 D HA -0.108 4.532 4.640 -0.001 0.000 0.198 286 D C 1.989 178.210 176.300 -0.133 0.000 0.982 286 D CA 0.968 54.860 54.000 -0.181 0.000 0.828 286 D CB -0.167 40.548 40.800 -0.141 0.000 0.967 286 D HN 0.269 nan 8.370 nan 0.000 0.464 287 I N 0.256 120.739 120.570 -0.146 0.000 2.226 287 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 287 I C 2.507 178.655 176.117 0.052 0.000 1.100 287 I CA 0.765 62.057 61.300 -0.014 0.000 1.374 287 I CB -0.167 37.809 38.000 -0.039 0.000 1.057 287 I HN -0.074 nan 8.210 nan 0.000 0.413 288 S N 0.486 116.141 115.700 -0.075 0.000 2.353 288 S HA -0.267 4.202 4.470 -0.001 0.000 0.222 288 S C 2.279 176.931 174.600 0.086 0.000 1.035 288 S CA 1.703 59.910 58.200 0.012 0.000 1.025 288 S CB -0.267 62.886 63.200 -0.079 0.000 0.902 288 S HN 0.321 nan 8.310 nan 0.000 0.440 289 R N 0.871 121.380 120.500 0.015 0.000 2.081 289 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 289 R C 2.454 178.780 176.300 0.043 0.000 1.131 289 R CA 1.799 57.932 56.100 0.055 0.000 0.960 289 R CB -0.370 29.936 30.300 0.010 0.000 0.856 289 R HN 0.410 nan 8.270 nan 0.000 0.436 290 K N -0.468 119.925 120.400 -0.011 0.000 2.074 290 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 290 K C 1.139 177.617 176.600 -0.202 0.000 1.048 290 K CA 1.699 57.914 56.287 -0.120 0.000 0.926 290 K CB -0.090 32.304 32.500 -0.176 0.000 0.713 290 K HN 0.436 nan 8.250 nan 0.000 0.444 291 H N -1.471 117.622 119.070 0.038 0.000 2.529 291 H HA 0.134 4.690 4.556 -0.001 0.000 0.277 291 H C 0.714 176.113 175.328 0.119 0.000 1.004 291 H CA 0.631 56.713 56.048 0.058 0.000 1.167 291 H CB 0.929 30.715 29.762 0.040 0.000 1.445 291 H HN 0.554 nan 8.280 nan 0.000 0.554 292 G N 1.421 110.357 108.800 0.226 0.000 2.176 292 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.252 292 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.252 292 G C 0.127 175.335 174.900 0.514 0.000 1.024 292 G CA 0.285 45.561 45.100 0.294 0.000 0.755 292 G HN 0.404 nan 8.290 nan 0.000 0.507 293 C N 0.983 120.533 119.300 0.416 0.000 2.369 293 C HA 0.788 5.247 4.460 -0.001 0.000 0.358 293 C C 1.315 176.524 174.990 0.366 0.000 1.274 293 C CA -0.329 58.925 59.018 0.394 0.000 1.935 293 C CB 0.471 28.334 27.740 0.204 0.000 2.431 293 C HN 1.168 nan 8.230 nan 0.000 0.545 294 A N 2.860 125.882 122.820 0.337 0.000 2.511 294 A HA 0.428 4.747 4.320 -0.001 0.000 0.242 294 A C -0.550 177.083 177.584 0.081 0.000 1.069 294 A CA 0.076 52.130 52.037 0.029 0.000 0.763 294 A CB -0.027 18.898 19.000 -0.124 0.000 1.001 294 A HN 0.773 nan 8.150 nan 0.000 0.498 295 F N 3.391 123.249 119.950 -0.153 0.000 2.361 295 F HA 0.449 4.975 4.527 -0.001 0.000 0.364 295 F C -0.305 175.402 175.800 -0.155 0.000 1.120 295 F CA -1.074 56.872 58.000 -0.090 0.000 1.102 295 F CB 0.868 39.850 39.000 -0.030 0.000 1.183 295 F HN 0.464 nan 8.300 nan 0.000 0.476 296 L N 7.669 128.637 121.223 -0.426 0.000 2.276 296 L HA 0.515 4.855 4.340 -0.001 0.000 0.286 296 L C -1.294 175.272 176.870 -0.506 0.000 1.024 296 L CA -0.641 53.945 54.840 -0.424 0.000 0.826 296 L CB 1.016 42.904 42.059 -0.284 0.000 1.211 296 L HN 0.287 nan 8.230 nan 0.000 0.422 297 V N 3.911 123.553 119.914 -0.454 0.000 2.370 297 V HA 0.208 4.327 4.120 -0.001 0.000 0.279 297 V C -0.140 175.856 176.094 -0.164 0.000 1.029 297 V CA -0.599 61.512 62.300 -0.315 0.000 0.870 297 V CB 1.560 33.203 31.823 -0.301 0.000 0.984 297 V HN 0.596 nan 8.190 nan 0.000 0.451 298 D N 4.204 124.576 120.400 -0.047 0.000 2.428 298 D HA 0.185 4.825 4.640 -0.001 0.000 0.221 298 D C 0.551 176.902 176.300 0.085 0.000 1.123 298 D CA -0.189 53.833 54.000 0.037 0.000 0.869 298 D CB 0.978 41.886 40.800 0.181 0.000 1.032 298 D HN 0.573 nan 8.370 nan 0.000 0.506 299 E N 2.848 123.105 120.200 0.095 0.000 2.496 299 E HA 0.048 4.398 4.350 -0.001 0.000 0.200 299 E C 1.613 178.370 176.600 0.262 0.000 1.016 299 E CA -0.095 56.415 56.400 0.182 0.000 0.962 299 E CB 1.006 30.858 29.700 0.253 0.000 1.071 299 E HN 0.339 nan 8.360 nan 0.000 0.457 300 V N 0.821 120.855 119.914 0.200 0.000 2.332 300 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 300 V C 2.376 178.576 176.094 0.177 0.000 1.055 300 V CA 2.132 64.549 62.300 0.195 0.000 1.038 300 V CB -0.225 31.679 31.823 0.135 0.000 0.651 300 V HN 0.308 nan 8.190 nan 0.000 0.450 301 Q N -0.685 119.215 119.800 0.167 0.000 2.324 301 Q HA -0.084 4.256 4.340 -0.001 0.000 0.207 301 Q C 2.245 178.389 176.000 0.241 0.000 0.928 301 Q CA 1.163 57.068 55.803 0.170 0.000 0.890 301 Q CB 0.225 29.068 28.738 0.174 0.000 1.001 301 Q HN 0.790 nan 8.270 nan 0.000 0.517 302 T N -2.385 112.262 114.554 0.155 0.000 3.023 302 T HA 0.149 4.499 4.350 -0.001 0.000 0.266 302 T C 0.993 175.706 174.700 0.022 0.000 1.093 302 T CA 0.321 62.416 62.100 -0.009 0.000 1.129 302 T CB -0.142 68.592 68.868 -0.223 0.000 0.899 302 T HN 0.227 nan 8.240 nan 0.000 0.491 303 G N -0.345 108.545 108.800 0.149 0.000 2.527 303 G HA2 0.438 4.397 3.960 -0.001 0.000 0.248 303 G HA3 0.438 4.397 3.960 -0.001 0.000 0.248 303 G C 0.950 175.705 174.900 -0.241 0.000 1.231 303 G CA -0.179 45.016 45.100 0.158 0.000 0.838 303 G HN 1.154 nan 8.290 nan 0.000 0.570 304 G N -1.022 107.267 108.800 -0.852 0.000 2.168 304 G HA2 0.282 4.241 3.960 -0.001 0.000 0.197 304 G HA3 0.282 4.241 3.960 -0.001 0.000 0.197 304 G C 1.213 175.525 174.900 -0.980 0.000 0.997 304 G CA 0.810 45.270 45.100 -1.067 0.000 0.658 304 G HN 2.544 nan 8.290 nan 0.000 0.513 305 G N -0.683 107.635 108.800 -0.804 0.000 2.213 305 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.226 305 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.226 305 G C 1.753 176.515 174.900 -0.230 0.000 0.992 305 G CA 1.515 46.303 45.100 -0.519 0.000 0.632 305 G HN 2.177 nan 8.290 nan 0.000 0.511 306 S N 0.473 116.081 115.700 -0.153 0.000 2.442 306 S HA -0.072 4.397 4.470 -0.001 0.000 0.236 306 S C 2.243 176.874 174.600 0.051 0.000 1.007 306 S CA 2.280 60.466 58.200 -0.023 0.000 0.965 306 S CB -0.742 62.482 63.200 0.040 0.000 0.773 306 S HN 1.546 nan 8.310 nan 0.000 0.504 307 T N -2.735 111.840 114.554 0.034 0.000 3.160 307 T HA 0.460 4.809 4.350 -0.001 0.000 0.257 307 T C 1.615 176.421 174.700 0.178 0.000 1.147 307 T CA 0.784 62.943 62.100 0.098 0.000 1.064 307 T CB -0.344 68.567 68.868 0.071 0.000 0.949 307 T HN 1.149 nan 8.240 nan 0.000 0.526 308 G N 0.771 109.615 108.800 0.073 0.000 2.213 308 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.226 308 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.226 308 G C -0.031 174.852 174.900 -0.027 0.000 0.992 308 G CA -0.066 45.074 45.100 0.066 0.000 0.632 308 G HN 0.627 nan 8.290 nan 0.000 0.511 309 K N -0.846 119.479 120.400 -0.125 0.000 2.395 309 K HA 0.602 4.922 4.320 -0.001 0.000 0.247 309 K C 0.419 176.856 176.600 -0.272 0.000 0.973 309 K CA -0.971 55.161 56.287 -0.258 0.000 0.828 309 K CB 1.822 34.008 32.500 -0.523 0.000 1.272 309 K HN -0.028 nan 8.250 nan 0.000 0.439 310 F N 0.683 120.381 119.950 -0.419 0.000 2.069 310 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 310 F C 0.117 175.452 175.800 -0.776 0.000 1.113 310 F CA 1.564 59.182 58.000 -0.638 0.000 1.214 310 F CB 0.250 38.770 39.000 -0.800 0.000 0.978 310 F HN 0.449 nan 8.300 nan 0.000 0.474 311 W N -1.120 120.084 121.300 -0.159 0.000 2.478 311 W HA 0.527 5.187 4.660 -0.001 0.000 0.318 311 W C 0.938 177.158 176.519 -0.498 0.000 1.062 311 W CA -0.552 56.596 57.345 -0.328 0.000 1.210 311 W CB 1.125 30.301 29.460 -0.474 0.000 1.325 311 W HN -0.077 nan 8.180 nan 0.000 0.496 312 A N 1.882 124.619 122.820 -0.138 0.000 1.978 312 A HA -0.284 4.036 4.320 -0.001 0.000 0.220 312 A C 1.904 179.231 177.584 -0.429 0.000 1.170 312 A CA 2.055 53.983 52.037 -0.182 0.000 0.636 312 A CB -1.169 17.723 19.000 -0.180 0.000 0.810 312 A HN 0.862 nan 8.150 nan 0.000 0.448 313 H N -1.032 117.631 119.070 -0.679 0.000 2.521 313 H HA 0.011 4.567 4.556 -0.001 0.000 0.286 313 H C 1.379 176.111 175.328 -0.993 0.000 1.034 313 H CA 1.209 56.306 56.048 -1.585 0.000 1.278 313 H CB -0.331 28.490 29.762 -1.569 0.000 1.386 313 H HN 0.626 nan 8.280 nan 0.000 0.567 314 E N 0.603 120.295 120.200 -0.846 0.000 2.209 314 E HA -0.167 4.183 4.350 -0.001 0.000 0.196 314 E C 1.793 178.236 176.600 -0.261 0.000 0.993 314 E CA 0.551 56.676 56.400 -0.459 0.000 0.819 314 E CB -0.098 29.335 29.700 -0.446 0.000 0.745 314 E HN 0.672 nan 8.360 nan 0.000 0.477 315 H N -0.842 118.114 119.070 -0.191 0.000 2.489 315 H HA -0.141 4.414 4.556 -0.001 0.000 0.293 315 H C 1.471 176.933 175.328 0.224 0.000 1.066 315 H CA 0.977 57.035 56.048 0.018 0.000 1.305 315 H CB -0.046 29.749 29.762 0.054 0.000 1.386 315 H HN 0.393 nan 8.280 nan 0.000 0.551 316 W N 0.236 121.651 121.300 0.193 0.000 2.465 316 W HA 0.108 4.768 4.660 -0.001 0.000 0.268 316 W C 1.728 178.328 176.519 0.135 0.000 1.242 316 W CA 1.093 58.547 57.345 0.181 0.000 1.248 316 W CB -0.791 28.789 29.460 0.201 0.000 1.118 316 W HN 0.343 nan 8.180 nan 0.000 0.587 317 G N 0.316 109.292 108.800 0.293 0.000 2.143 317 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.248 317 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.248 317 G C 0.016 175.020 174.900 0.174 0.000 0.991 317 G CA -0.045 45.164 45.100 0.182 0.000 0.689 317 G HN 0.176 nan 8.290 nan 0.000 0.522 318 L N 0.087 121.448 121.223 0.231 0.000 2.350 318 L HA 0.385 4.725 4.340 -0.001 0.000 0.275 318 L C 1.125 178.074 176.870 0.133 0.000 1.099 318 L CA -0.933 54.021 54.840 0.190 0.000 0.808 318 L CB 0.774 42.986 42.059 0.256 0.000 1.149 318 L HN -0.067 nan 8.230 nan 0.000 0.442 319 D N 0.315 120.771 120.400 0.093 0.000 2.224 319 D HA -0.091 4.549 4.640 -0.001 0.000 0.205 319 D C 0.365 176.701 176.300 0.060 0.000 0.965 319 D CA 1.321 55.358 54.000 0.063 0.000 0.852 319 D CB 0.180 41.008 40.800 0.047 0.000 0.947 319 D HN 0.444 nan 8.370 nan 0.000 0.494 320 D N -0.376 120.070 120.400 0.076 0.000 2.513 320 D HA 0.111 4.751 4.640 -0.001 0.000 0.295 320 D C -1.969 174.396 176.300 0.107 0.000 1.202 320 D CA -1.804 52.236 54.000 0.067 0.000 0.849 320 D CB 1.313 42.147 40.800 0.056 0.000 1.116 320 D HN -0.084 nan 8.370 nan 0.000 0.502 321 P HA 0.193 nan 4.420 nan 0.000 0.227 321 P C -0.039 177.424 177.300 0.272 0.000 1.161 321 P CA 0.431 63.666 63.100 0.225 0.000 0.788 321 P CB 0.659 32.401 31.700 0.070 0.000 0.822 322 A N -0.881 121.997 122.820 0.096 0.000 2.544 322 A HA 0.394 4.713 4.320 -0.001 0.000 0.291 322 A C -0.248 177.303 177.584 -0.056 0.000 1.055 322 A CA -0.457 51.647 52.037 0.112 0.000 0.651 322 A CB -0.046 18.886 19.000 -0.113 0.000 1.296 322 A HN -0.227 nan 8.150 nan 0.000 0.431 323 D N -0.755 119.549 120.400 -0.160 0.000 2.277 323 D HA 0.246 4.886 4.640 -0.001 0.000 0.209 323 D C 0.164 176.153 176.300 -0.518 0.000 0.970 323 D CA 1.489 55.233 54.000 -0.426 0.000 0.874 323 D CB 0.697 41.033 40.800 -0.774 0.000 0.982 323 D HN 0.294 nan 8.370 nan 0.000 0.504 324 V N 1.306 120.963 119.914 -0.427 0.000 2.808 324 V HA 0.393 4.513 4.120 -0.001 0.000 0.308 324 V C -0.691 175.262 176.094 -0.235 0.000 1.099 324 V CA -0.702 61.420 62.300 -0.296 0.000 0.920 324 V CB 2.996 34.556 31.823 -0.438 0.000 1.014 324 V HN -0.016 nan 8.190 nan 0.000 0.425 325 M N 4.359 123.905 119.600 -0.091 0.000 2.213 325 M HA 0.536 5.015 4.480 -0.001 0.000 0.286 325 M C -0.412 175.914 176.300 0.043 0.000 1.008 325 M CA -0.193 55.038 55.300 -0.115 0.000 0.937 325 M CB 2.114 34.570 32.600 -0.240 0.000 1.600 325 M HN 0.941 nan 8.290 nan 0.000 0.450 326 T N 1.600 116.129 114.554 -0.042 0.000 2.934 326 T HA 0.836 5.186 4.350 -0.001 0.000 0.283 326 T C -0.547 174.196 174.700 0.072 0.000 1.005 326 T CA -0.505 61.559 62.100 -0.061 0.000 1.041 326 T CB 1.301 70.060 68.868 -0.182 0.000 1.042 326 T HN 0.571 nan 8.240 nan 0.000 0.505 327 F N -1.724 118.269 119.950 0.071 0.000 2.711 327 F HA 0.897 5.423 4.527 -0.001 0.000 0.313 327 F C -0.269 175.613 175.800 0.136 0.000 1.141 327 F CA -0.993 57.106 58.000 0.164 0.000 0.941 327 F CB 1.332 40.530 39.000 0.331 0.000 1.349 327 F HN 0.918 nan 8.300 nan 0.000 0.464 328 S N -0.442 115.497 115.700 0.398 0.000 3.102 328 S HA 0.364 4.833 4.470 -0.001 0.000 0.292 328 S C -0.441 174.279 174.600 0.201 0.000 1.249 328 S CA -0.006 58.340 58.200 0.243 0.000 1.397 328 S CB -0.131 63.109 63.200 0.068 0.000 1.421 328 S HN 1.045 nan 8.310 nan 0.000 0.410 329 K N 0.272 120.730 120.400 0.097 0.000 3.860 329 K HA -0.339 3.980 4.320 -0.001 0.000 0.215 329 K C 1.230 177.843 176.600 0.021 0.000 0.729 329 K CA 1.885 58.193 56.287 0.035 0.000 0.634 329 K CB -1.514 30.994 32.500 0.013 0.000 0.774 329 K HN 0.479 nan 8.250 nan 0.000 0.793 330 K N 0.485 120.885 120.400 -0.000 0.000 2.127 330 K HA -0.063 4.256 4.320 -0.001 0.000 0.208 330 K C 1.934 178.531 176.600 -0.005 0.000 1.047 330 K CA 2.271 58.531 56.287 -0.045 0.000 0.927 330 K CB -0.045 32.392 32.500 -0.105 0.000 0.716 330 K HN 0.262 nan 8.250 nan 0.000 0.450 331 M N 0.129 119.781 119.600 0.087 0.000 2.686 331 M HA -0.002 4.478 4.480 -0.001 0.000 0.246 331 M C 0.588 176.965 176.300 0.130 0.000 1.096 331 M CA 0.888 56.272 55.300 0.141 0.000 1.076 331 M CB -0.509 32.280 32.600 0.314 0.000 1.504 331 M HN 0.233 nan 8.290 nan 0.000 0.524 332 M N -2.847 116.805 119.600 0.086 0.000 2.839 332 M HA -0.229 4.250 4.480 -0.001 0.000 0.159 332 M C 0.834 177.179 176.300 0.076 0.000 0.680 332 M CA 2.121 57.455 55.300 0.056 0.000 0.608 332 M CB -2.325 30.298 32.600 0.037 0.000 2.220 332 M HN 0.390 nan 8.290 nan 0.000 0.264 333 T N 1.142 115.773 114.554 0.129 0.000 2.952 333 T HA 0.693 5.043 4.350 -0.001 0.000 0.286 333 T C 0.512 175.333 174.700 0.200 0.000 1.024 333 T CA 0.201 62.381 62.100 0.133 0.000 1.029 333 T CB 1.876 70.824 68.868 0.133 0.000 1.094 333 T HN 0.557 nan 8.240 nan 0.000 0.515 334 G N -0.212 108.623 108.800 0.058 0.000 2.537 334 G HA2 0.715 4.674 3.960 -0.001 0.000 0.297 334 G HA3 0.715 4.674 3.960 -0.001 0.000 0.297 334 G C 0.197 174.841 174.900 -0.427 0.000 1.310 334 G CA -0.158 44.850 45.100 -0.152 0.000 1.027 334 G HN 1.335 nan 8.290 nan 0.000 0.505 335 G N -2.129 106.119 108.800 -0.920 0.000 2.369 335 G HA2 0.537 4.497 3.960 -0.001 0.000 0.293 335 G HA3 0.537 4.497 3.960 -0.001 0.000 0.293 335 G C -1.266 173.084 174.900 -0.916 0.000 1.301 335 G CA -0.270 44.331 45.100 -0.831 0.000 0.913 335 G HN 1.622 nan 8.290 nan 0.000 0.540 336 F N -1.810 117.830 119.950 -0.517 0.000 2.596 336 F HA 0.805 5.331 4.527 -0.001 0.000 0.311 336 F C -0.857 174.916 175.800 -0.045 0.000 1.116 336 F CA -1.775 56.083 58.000 -0.237 0.000 0.957 336 F CB 1.035 39.904 39.000 -0.217 0.000 1.250 336 F HN 0.420 nan 8.300 nan 0.000 0.444 337 F N 2.062 122.168 119.950 0.261 0.000 2.410 337 F HA 0.589 5.115 4.527 -0.001 0.000 0.334 337 F C 0.560 176.476 175.800 0.195 0.000 1.134 337 F CA 0.234 58.292 58.000 0.097 0.000 1.227 337 F CB 0.751 39.720 39.000 -0.052 0.000 1.194 337 F HN 0.813 nan 8.300 nan 0.000 0.571 338 H N -2.007 117.157 119.070 0.156 0.000 2.948 338 H HA 0.495 5.051 4.556 -0.001 0.000 0.315 338 H C -1.505 173.848 175.328 0.042 0.000 1.360 338 H CA -1.575 54.491 56.048 0.030 0.000 1.125 338 H CB 0.902 30.692 29.762 0.046 0.000 1.844 338 H HN 0.362 nan 8.280 nan 0.000 0.529 339 K N -0.185 120.262 120.400 0.079 0.000 2.258 339 K HA 0.199 4.519 4.320 -0.001 0.000 0.264 339 K C 1.394 178.107 176.600 0.189 0.000 1.007 339 K CA 0.473 56.831 56.287 0.118 0.000 0.941 339 K CB 0.778 33.394 32.500 0.192 0.000 0.966 339 K HN 0.840 nan 8.250 nan 0.000 0.480 340 E N 2.283 122.549 120.200 0.110 0.000 2.114 340 E HA -0.292 4.057 4.350 -0.001 0.000 0.199 340 E C 1.662 178.371 176.600 0.182 0.000 1.008 340 E CA 2.252 58.716 56.400 0.107 0.000 0.810 340 E CB -0.879 28.862 29.700 0.068 0.000 0.739 340 E HN 0.837 nan 8.360 nan 0.000 0.456 341 E N -1.416 118.909 120.200 0.209 0.000 2.338 341 E HA -0.066 4.283 4.350 -0.001 0.000 0.197 341 E C 1.384 178.061 176.600 0.129 0.000 1.007 341 E CA 0.972 57.473 56.400 0.169 0.000 0.849 341 E CB -0.341 29.454 29.700 0.159 0.000 0.774 341 E HN 0.567 nan 8.360 nan 0.000 0.506 342 F N 1.382 121.432 119.950 0.167 0.000 2.765 342 F HA 0.216 4.743 4.527 -0.001 0.000 0.302 342 F C 1.166 177.134 175.800 0.280 0.000 1.111 342 F CA -0.319 57.785 58.000 0.173 0.000 1.359 342 F CB 0.110 39.127 39.000 0.030 0.000 1.097 342 F HN -0.131 nan 8.300 nan 0.000 0.577 343 R N 2.608 123.360 120.500 0.419 0.000 2.502 343 R HA 0.060 4.400 4.340 -0.001 0.000 0.292 343 R C -2.430 174.018 176.300 0.247 0.000 0.998 343 R CA -1.381 54.926 56.100 0.346 0.000 1.056 343 R CB 0.058 30.490 30.300 0.220 0.000 0.939 343 R HN -0.080 nan 8.270 nan 0.000 0.411 344 P HA -0.047 nan 4.420 nan 0.000 0.265 344 P C -0.245 177.141 177.300 0.143 0.000 1.193 344 P CA -0.052 63.158 63.100 0.185 0.000 0.765 344 P CB 0.554 32.356 31.700 0.171 0.000 0.823 345 N N 1.781 120.560 118.700 0.132 0.000 2.409 345 N HA -0.021 4.719 4.740 -0.001 0.000 0.179 345 N C 0.088 175.650 175.510 0.087 0.000 1.032 345 N CA 0.531 53.636 53.050 0.091 0.000 0.898 345 N CB -0.071 38.453 38.487 0.061 0.000 0.971 345 N HN 0.387 nan 8.380 nan 0.000 0.441 346 A N 0.291 123.179 122.820 0.113 0.000 2.556 346 A HA 0.663 4.983 4.320 -0.001 0.000 0.294 346 A C -2.801 174.827 177.584 0.074 0.000 1.091 346 A CA -1.319 50.779 52.037 0.102 0.000 0.704 346 A CB 1.446 20.537 19.000 0.152 0.000 1.300 346 A HN 0.086 nan 8.150 nan 0.000 0.406 347 P HA 0.367 nan 4.420 nan 0.000 0.275 347 P C -0.619 176.618 177.300 -0.106 0.000 1.266 347 P CA 0.282 63.277 63.100 -0.176 0.000 0.793 347 P CB 0.022 31.467 31.700 -0.425 0.000 1.074 348 Y N -2.652 117.613 120.300 -0.057 0.000 4.409 348 Y HA -0.265 4.285 4.550 -0.001 0.000 0.228 348 Y C 1.715 177.613 175.900 -0.004 0.000 1.108 348 Y CA 0.531 58.524 58.100 -0.178 0.000 1.955 348 Y CB -1.924 36.369 38.460 -0.279 0.000 1.615 348 Y HN 0.370 nan 8.280 nan 0.000 0.665 349 R N -0.163 120.438 120.500 0.170 0.000 2.119 349 R HA 0.245 4.585 4.340 -0.001 0.000 0.202 349 R C 0.246 176.666 176.300 0.201 0.000 1.114 349 R CA 0.316 56.518 56.100 0.171 0.000 1.089 349 R CB 0.564 30.962 30.300 0.164 0.000 1.000 349 R HN 0.009 nan 8.270 nan 0.000 0.487 350 I N 1.901 122.598 120.570 0.210 0.000 2.307 350 I HA 0.299 4.468 4.170 -0.001 0.000 0.287 350 I C -0.831 175.452 176.117 0.277 0.000 1.054 350 I CA -0.198 61.233 61.300 0.219 0.000 1.218 350 I CB 0.377 38.499 38.000 0.205 0.000 1.398 350 I HN 0.018 nan 8.210 nan 0.000 0.475 351 F N 6.447 126.438 119.950 0.069 0.000 2.703 351 F HA 0.490 5.016 4.527 -0.001 0.000 0.308 351 F C -1.222 174.605 175.800 0.045 0.000 1.126 351 F CA -0.588 57.444 58.000 0.054 0.000 0.959 351 F CB 1.655 40.711 39.000 0.094 0.000 1.297 351 F HN 0.631 nan 8.300 nan 0.000 0.441 352 N N -0.186 118.214 118.700 -0.500 0.000 3.179 352 N HA 0.294 5.034 4.740 -0.001 0.000 0.250 352 N C -0.578 174.600 175.510 -0.553 0.000 1.507 352 N CA -0.226 52.651 53.050 -0.288 0.000 0.883 352 N CB 0.973 39.382 38.487 -0.129 0.000 1.435 352 N HN 0.302 nan 8.380 nan 0.000 0.532 353 T N -1.055 113.278 114.554 -0.369 0.000 2.652 353 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 353 T C 0.237 174.732 174.700 -0.343 0.000 1.039 353 T CA 1.698 63.532 62.100 -0.443 0.000 1.153 353 T CB -0.258 68.144 68.868 -0.777 0.000 0.863 353 T HN 0.504 nan 8.240 nan 0.000 0.428 354 W N 0.054 121.249 121.300 -0.176 0.000 2.792 354 W HA 0.504 5.163 4.660 -0.001 0.000 0.262 354 W C 0.649 177.063 176.519 -0.175 0.000 1.212 354 W CA -0.679 56.575 57.345 -0.151 0.000 1.433 354 W CB -0.863 28.542 29.460 -0.092 0.000 1.004 354 W HN 0.103 nan 8.180 nan 0.000 0.608 355 L N 0.910 122.148 121.223 0.026 0.000 3.742 355 L HA -0.238 4.102 4.340 -0.001 0.000 0.431 355 L C 0.877 177.757 176.870 0.017 0.000 1.220 355 L CA 1.132 55.945 54.840 -0.044 0.000 0.863 355 L CB -1.795 40.178 42.059 -0.145 0.000 1.751 355 L HN 0.251 nan 8.230 nan 0.000 0.922 356 G N -1.065 107.771 108.800 0.060 0.000 2.416 356 G HA2 0.071 4.030 3.960 -0.001 0.000 0.203 356 G HA3 0.071 4.030 3.960 -0.001 0.000 0.203 356 G C -1.177 173.732 174.900 0.014 0.000 1.227 356 G CA 0.013 45.140 45.100 0.045 0.000 1.041 356 G HN 0.406 nan 8.290 nan 0.000 0.546 357 D N -0.564 119.832 120.400 -0.007 0.000 2.804 357 D HA 0.502 5.141 4.640 -0.001 0.000 0.209 357 D C -1.917 174.355 176.300 -0.047 0.000 1.314 357 D CA -1.038 52.915 54.000 -0.078 0.000 0.894 357 D CB 1.829 42.549 40.800 -0.134 0.000 1.615 357 D HN 0.037 nan 8.370 nan 0.000 0.571 358 P HA -0.143 nan 4.420 nan 0.000 0.217 358 P C 1.368 178.585 177.300 -0.137 0.000 1.148 358 P CA 1.393 64.470 63.100 -0.038 0.000 0.828 358 P CB 0.238 31.904 31.700 -0.056 0.000 0.783 359 S N -0.717 114.849 115.700 -0.224 0.000 2.382 359 S HA -0.150 4.319 4.470 -0.001 0.000 0.228 359 S C 1.822 176.325 174.600 -0.163 0.000 1.027 359 S CA 1.010 58.989 58.200 -0.368 0.000 0.991 359 S CB -0.849 62.129 63.200 -0.370 0.000 0.823 359 S HN 0.039 nan 8.310 nan 0.000 0.469 360 K N 1.994 122.351 120.400 -0.071 0.000 2.103 360 K HA 0.125 4.444 4.320 -0.001 0.000 0.204 360 K C 1.721 178.315 176.600 -0.010 0.000 1.052 360 K CA 0.978 57.256 56.287 -0.014 0.000 0.945 360 K CB -0.844 31.660 32.500 0.007 0.000 0.722 360 K HN 0.408 nan 8.250 nan 0.000 0.443 361 N N 1.397 120.087 118.700 -0.016 0.000 2.188 361 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 361 N C 1.744 177.230 175.510 -0.040 0.000 1.018 361 N CA 0.523 53.565 53.050 -0.015 0.000 0.858 361 N CB -0.423 38.065 38.487 0.001 0.000 0.989 361 N HN 0.052 nan 8.380 nan 0.000 0.426 362 L N 1.098 122.278 121.223 -0.071 0.000 1.989 362 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 362 L C 1.886 178.733 176.870 -0.037 0.000 1.071 362 L CA 1.471 56.264 54.840 -0.079 0.000 0.749 362 L CB -0.739 41.220 42.059 -0.167 0.000 0.890 362 L HN 0.107 nan 8.230 nan 0.000 0.431 363 L N -1.297 119.916 121.223 -0.017 0.000 2.017 363 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 363 L C 2.530 179.393 176.870 -0.011 0.000 1.073 363 L CA 1.097 55.946 54.840 0.013 0.000 0.745 363 L CB -0.811 41.273 42.059 0.043 0.000 0.894 363 L HN 0.362 nan 8.230 nan 0.000 0.432 364 L N 0.435 121.651 121.223 -0.011 0.000 2.079 364 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 364 L C 2.651 179.503 176.870 -0.030 0.000 1.081 364 L CA 1.972 56.805 54.840 -0.012 0.000 0.752 364 L CB -0.753 41.309 42.059 0.005 0.000 0.896 364 L HN 0.159 nan 8.230 nan 0.000 0.433 365 A N -0.812 121.986 122.820 -0.038 0.000 1.908 365 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 365 A C 2.273 179.828 177.584 -0.048 0.000 1.181 365 A CA 1.867 53.874 52.037 -0.049 0.000 0.627 365 A CB -0.688 18.282 19.000 -0.049 0.000 0.818 365 A HN 0.542 nan 8.150 nan 0.000 0.445 366 E N -0.270 119.905 120.200 -0.042 0.000 2.107 366 E HA -0.068 4.281 4.350 -0.001 0.000 0.191 366 E C 1.807 178.358 176.600 -0.082 0.000 0.982 366 E CA 1.223 57.593 56.400 -0.050 0.000 0.809 366 E CB -0.359 29.320 29.700 -0.034 0.000 0.756 366 E HN 0.236 nan 8.360 nan 0.000 0.459 367 V N 0.676 120.540 119.914 -0.084 0.000 2.343 367 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 367 V C 2.358 178.411 176.094 -0.068 0.000 1.051 367 V CA 1.802 64.039 62.300 -0.105 0.000 1.036 367 V CB -0.401 31.375 31.823 -0.078 0.000 0.654 367 V HN 0.325 nan 8.190 nan 0.000 0.451 368 I N 0.261 120.808 120.570 -0.039 0.000 2.315 368 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 368 I C 2.490 178.579 176.117 -0.047 0.000 1.117 368 I CA 1.671 62.956 61.300 -0.025 0.000 1.404 368 I CB -0.493 37.464 38.000 -0.072 0.000 1.071 368 I HN 0.452 nan 8.210 nan 0.000 0.419 369 N N 1.409 120.076 118.700 -0.056 0.000 2.104 369 N HA -0.206 4.533 4.740 -0.001 0.000 0.190 369 N C 1.971 177.457 175.510 -0.040 0.000 1.024 369 N CA 1.307 54.328 53.050 -0.049 0.000 0.853 369 N CB 0.177 38.639 38.487 -0.042 0.000 1.008 369 N HN 0.181 nan 8.380 nan 0.000 0.424 370 I N 1.594 122.130 120.570 -0.057 0.000 2.252 370 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 370 I C 2.363 178.463 176.117 -0.028 0.000 1.102 370 I CA 0.782 62.051 61.300 -0.051 0.000 1.385 370 I CB -0.962 36.953 38.000 -0.141 0.000 1.064 370 I HN 0.193 nan 8.210 nan 0.000 0.414 371 I N 0.769 121.320 120.570 -0.031 0.000 2.208 371 I HA -0.337 3.833 4.170 -0.001 0.000 0.245 371 I C 2.528 178.644 176.117 -0.002 0.000 1.097 371 I CA 1.591 62.886 61.300 -0.008 0.000 1.363 371 I CB -0.268 37.750 38.000 0.030 0.000 1.051 371 I HN 0.214 nan 8.210 nan 0.000 0.413 372 K N 0.245 120.637 120.400 -0.013 0.000 2.044 372 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 372 K C 2.659 179.250 176.600 -0.016 0.000 1.049 372 K CA 1.382 57.655 56.287 -0.023 0.000 0.945 372 K CB -0.267 32.205 32.500 -0.047 0.000 0.724 372 K HN 0.244 nan 8.250 nan 0.000 0.440 373 R N 1.773 122.265 120.500 -0.013 0.000 2.075 373 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 373 R C 1.742 178.046 176.300 0.007 0.000 1.126 373 R CA 1.543 57.640 56.100 -0.004 0.000 0.963 373 R CB -0.884 29.416 30.300 -0.001 0.000 0.858 373 R HN 0.143 nan 8.270 nan 0.000 0.435 374 E N 0.180 120.389 120.200 0.015 0.000 2.489 374 E HA 0.019 4.368 4.350 -0.001 0.000 0.193 374 E C -0.362 176.251 176.600 0.022 0.000 1.057 374 E CA 0.470 56.886 56.400 0.027 0.000 0.866 374 E CB -0.107 29.622 29.700 0.048 0.000 0.916 374 E HN 0.619 nan 8.360 nan 0.000 0.500 375 D N 0.033 120.439 120.400 0.010 0.000 2.723 375 D HA -0.199 4.441 4.640 -0.001 0.000 0.236 375 D C 0.525 176.832 176.300 0.013 0.000 1.138 375 D CA 0.219 54.222 54.000 0.006 0.000 0.676 375 D CB -1.259 39.544 40.800 0.005 0.000 1.069 375 D HN 0.215 nan 8.370 nan 0.000 0.430 376 L N -0.383 120.845 121.223 0.009 0.000 2.291 376 L HA -0.051 4.289 4.340 -0.001 0.000 0.214 376 L C 2.434 179.301 176.870 -0.004 0.000 1.120 376 L CA 0.375 55.220 54.840 0.008 0.000 0.799 376 L CB -0.287 41.767 42.059 -0.007 0.000 0.925 376 L HN 0.348 nan 8.230 nan 0.000 0.446 377 L N -1.004 120.210 121.223 -0.015 0.000 2.005 377 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 377 L C 2.703 179.577 176.870 0.008 0.000 1.072 377 L CA 1.134 55.958 54.840 -0.027 0.000 0.744 377 L CB -0.587 41.451 42.059 -0.035 0.000 0.895 377 L HN 0.148 nan 8.230 nan 0.000 0.433 378 S N -0.004 115.706 115.700 0.017 0.000 2.382 378 S HA -0.199 4.271 4.470 -0.001 0.000 0.228 378 S C 1.720 176.365 174.600 0.075 0.000 1.027 378 S CA 1.734 59.957 58.200 0.038 0.000 0.991 378 S CB -0.443 62.769 63.200 0.019 0.000 0.823 378 S HN 0.438 nan 8.310 nan 0.000 0.469 379 N N 1.756 120.498 118.700 0.070 0.000 2.120 379 N HA -0.064 4.675 4.740 -0.001 0.000 0.188 379 N C 1.615 177.202 175.510 0.129 0.000 1.024 379 N CA 1.376 54.494 53.050 0.113 0.000 0.852 379 N CB -0.394 38.145 38.487 0.087 0.000 1.003 379 N HN 0.325 nan 8.380 nan 0.000 0.424 380 A N 0.175 123.047 122.820 0.088 0.000 1.933 380 A HA 0.061 4.381 4.320 -0.001 0.000 0.218 380 A C 2.330 179.972 177.584 0.096 0.000 1.175 380 A CA 1.749 53.839 52.037 0.088 0.000 0.628 380 A CB -1.184 17.837 19.000 0.035 0.000 0.814 380 A HN 0.461 nan 8.150 nan 0.000 0.444 381 A N -0.867 122.013 122.820 0.099 0.000 1.898 381 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 381 A C 2.058 179.716 177.584 0.124 0.000 1.181 381 A CA 2.114 54.215 52.037 0.107 0.000 0.620 381 A CB -0.794 18.272 19.000 0.109 0.000 0.819 381 A HN 0.775 nan 8.150 nan 0.000 0.442 382 H N -0.183 118.914 119.070 0.045 0.000 2.307 382 H HA 0.173 4.728 4.556 -0.001 0.000 0.303 382 H C 2.163 177.510 175.328 0.033 0.000 1.073 382 H CA 1.889 57.959 56.048 0.036 0.000 1.338 382 H CB -0.447 29.332 29.762 0.028 0.000 1.389 382 H HN 0.330 nan 8.280 nan 0.000 0.503 383 A N 0.215 122.969 122.820 -0.111 0.000 1.908 383 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 383 A C 2.678 180.256 177.584 -0.010 0.000 1.181 383 A CA 1.660 53.608 52.037 -0.148 0.000 0.627 383 A CB -1.497 17.519 19.000 0.027 0.000 0.818 383 A HN 0.635 nan 8.150 nan 0.000 0.445 384 G N -0.763 108.067 108.800 0.051 0.000 2.422 384 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 384 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 384 G C 1.661 176.547 174.900 -0.024 0.000 1.146 384 G CA 1.170 46.286 45.100 0.027 0.000 0.769 384 G HN 0.563 nan 8.290 nan 0.000 0.547 385 K N -0.183 120.196 120.400 -0.035 0.000 2.025 385 K HA -0.007 4.313 4.320 -0.001 0.000 0.207 385 K C 2.644 179.198 176.600 -0.077 0.000 1.049 385 K CA 1.022 57.290 56.287 -0.032 0.000 0.933 385 K CB -0.223 32.282 32.500 0.008 0.000 0.714 385 K HN 0.172 nan 8.250 nan 0.000 0.438 386 V N 1.671 121.483 119.914 -0.170 0.000 2.332 386 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 386 V C 2.220 178.210 176.094 -0.173 0.000 1.055 386 V CA 1.567 63.741 62.300 -0.209 0.000 1.038 386 V CB -0.432 31.168 31.823 -0.372 0.000 0.651 386 V HN 0.344 nan 8.190 nan 0.000 0.450 387 L N -0.360 120.786 121.223 -0.128 0.000 2.017 387 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 387 L C 2.181 178.980 176.870 -0.120 0.000 1.073 387 L CA 1.931 56.703 54.840 -0.113 0.000 0.745 387 L CB -0.659 41.321 42.059 -0.132 0.000 0.894 387 L HN 0.267 nan 8.230 nan 0.000 0.432 388 L N -0.992 120.174 121.223 -0.094 0.000 2.056 388 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 388 L C 2.338 179.196 176.870 -0.020 0.000 1.078 388 L CA 2.266 57.072 54.840 -0.056 0.000 0.749 388 L CB -0.902 41.140 42.059 -0.027 0.000 0.901 388 L HN 0.334 nan 8.230 nan 0.000 0.433 389 T N -0.664 113.880 114.554 -0.016 0.000 2.684 389 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 389 T C 1.683 176.395 174.700 0.019 0.000 1.036 389 T CA 1.394 63.499 62.100 0.008 0.000 1.148 389 T CB -0.908 67.968 68.868 0.012 0.000 0.863 389 T HN 0.593 nan 8.240 nan 0.000 0.436 390 G N 1.147 109.952 108.800 0.009 0.000 2.418 390 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.217 390 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.217 390 G C 1.512 176.441 174.900 0.048 0.000 1.158 390 G CA 0.495 45.618 45.100 0.039 0.000 0.771 390 G HN 0.445 nan 8.290 nan 0.000 0.545 391 L N -0.198 121.042 121.223 0.029 0.000 2.083 391 L HA 0.016 4.356 4.340 -0.001 0.000 0.209 391 L C 2.875 179.755 176.870 0.017 0.000 1.083 391 L CA 0.438 55.292 54.840 0.023 0.000 0.752 391 L CB -0.327 41.741 42.059 0.016 0.000 0.899 391 L HN 0.188 nan 8.230 nan 0.000 0.433 392 L N -0.360 120.879 121.223 0.027 0.000 2.083 392 L HA -0.242 4.097 4.340 -0.001 0.000 0.209 392 L C 2.208 179.102 176.870 0.040 0.000 1.083 392 L CA 1.408 56.269 54.840 0.036 0.000 0.752 392 L CB -0.461 41.622 42.059 0.040 0.000 0.899 392 L HN 0.298 nan 8.230 nan 0.000 0.433 393 D N 0.110 120.537 120.400 0.044 0.000 2.117 393 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 393 D C 2.274 178.612 176.300 0.063 0.000 0.982 393 D CA 1.109 55.138 54.000 0.047 0.000 0.828 393 D CB 0.040 40.872 40.800 0.053 0.000 0.967 393 D HN 0.184 nan 8.370 nan 0.000 0.464 394 L N 0.042 121.318 121.223 0.089 0.000 2.141 394 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 394 L C 2.661 179.623 176.870 0.154 0.000 1.094 394 L CA 0.994 55.932 54.840 0.163 0.000 0.763 394 L CB -0.523 41.620 42.059 0.140 0.000 0.908 394 L HN 0.226 nan 8.230 nan 0.000 0.437 395 Q N 0.226 120.066 119.800 0.067 0.000 2.084 395 Q HA -0.225 4.115 4.340 -0.001 0.000 0.202 395 Q C 2.303 178.333 176.000 0.051 0.000 0.978 395 Q CA 1.820 57.658 55.803 0.057 0.000 0.844 395 Q CB -0.061 28.701 28.738 0.040 0.000 0.898 395 Q HN 0.508 nan 8.270 nan 0.000 0.426 396 A N 0.496 123.334 122.820 0.030 0.000 1.933 396 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 396 A C 2.270 179.816 177.584 -0.063 0.000 1.175 396 A CA 1.887 53.922 52.037 -0.003 0.000 0.628 396 A CB -0.908 18.092 19.000 -0.000 0.000 0.814 396 A HN 0.509 nan 8.150 nan 0.000 0.444 397 R N -1.814 118.628 120.500 -0.096 0.000 2.161 397 R HA 0.153 4.493 4.340 -0.001 0.000 0.213 397 R C 0.501 176.438 176.300 -0.604 0.000 1.055 397 R CA 1.203 57.095 56.100 -0.346 0.000 0.996 397 R CB -0.755 29.322 30.300 -0.370 0.000 0.901 397 R HN 0.676 nan 8.270 nan 0.000 0.456 398 Y N -0.115 120.188 120.300 0.004 0.000 2.477 398 Y HA 0.279 4.829 4.550 -0.001 0.000 0.340 398 Y C -1.748 174.130 175.900 -0.037 0.000 0.987 398 Y CA -2.197 55.902 58.100 -0.001 0.000 1.127 398 Y CB 2.023 40.565 38.460 0.137 0.000 1.139 398 Y HN 0.122 nan 8.280 nan 0.000 0.637 399 P HA -0.219 nan 4.420 nan 0.000 0.225 399 P C 1.184 178.464 177.300 -0.033 0.000 1.148 399 P CA 1.312 64.417 63.100 0.009 0.000 0.779 399 P CB 0.424 32.116 31.700 -0.013 0.000 0.780 400 Q N -0.519 119.177 119.800 -0.174 0.000 2.369 400 Q HA -0.072 4.267 4.340 -0.001 0.000 0.206 400 Q C 1.340 177.147 176.000 -0.322 0.000 0.963 400 Q CA 1.315 56.920 55.803 -0.331 0.000 0.894 400 Q CB -0.871 27.527 28.738 -0.568 0.000 0.965 400 Q HN 0.330 nan 8.270 nan 0.000 0.475 401 F N -0.004 120.046 119.950 0.166 0.000 2.711 401 F HA 0.351 4.877 4.527 -0.001 0.000 0.296 401 F C 0.737 176.628 175.800 0.153 0.000 1.096 401 F CA -0.698 57.395 58.000 0.155 0.000 1.280 401 F CB 0.868 39.932 39.000 0.107 0.000 1.060 401 F HN -0.119 nan 8.300 nan 0.000 0.608 402 I N 1.234 121.968 120.570 0.272 0.000 2.433 402 I HA 0.402 4.571 4.170 -0.001 0.000 0.292 402 I C -0.109 176.101 176.117 0.155 0.000 1.001 402 I CA -0.658 60.754 61.300 0.186 0.000 1.119 402 I CB 1.229 39.238 38.000 0.015 0.000 1.289 402 I HN 0.016 nan 8.210 nan 0.000 0.438 403 S N 4.929 120.743 115.700 0.190 0.000 2.607 403 S HA 0.670 5.140 4.470 -0.001 0.000 0.273 403 S C -0.260 174.401 174.600 0.102 0.000 1.148 403 S CA -0.938 57.342 58.200 0.133 0.000 0.833 403 S CB 2.330 65.603 63.200 0.123 0.000 1.130 403 S HN 0.654 nan 8.310 nan 0.000 0.470 404 R N -0.293 120.220 120.500 0.021 0.000 3.525 404 R HA -0.110 4.229 4.340 -0.001 0.000 0.276 404 R C -0.500 175.609 176.300 -0.319 0.000 1.116 404 R CA 0.563 56.526 56.100 -0.228 0.000 0.745 404 R CB -2.511 27.673 30.300 -0.193 0.000 1.185 404 R HN 0.574 nan 8.270 nan 0.000 0.454 405 V N 1.936 121.793 119.914 -0.096 0.000 2.617 405 V HA 0.002 4.121 4.120 -0.001 0.000 0.304 405 V C 1.086 177.084 176.094 -0.160 0.000 1.040 405 V CA 0.973 63.263 62.300 -0.016 0.000 1.149 405 V CB 0.299 32.147 31.823 0.041 0.000 0.914 405 V HN 0.382 nan 8.190 nan 0.000 0.487 406 R N 3.651 124.080 120.500 -0.118 0.000 2.692 406 R HA 0.828 5.167 4.340 -0.001 0.000 0.269 406 R C -0.487 175.752 176.300 -0.100 0.000 1.030 406 R CA -0.529 55.460 56.100 -0.184 0.000 0.882 406 R CB 2.126 32.182 30.300 -0.406 0.000 1.250 406 R HN 0.940 nan 8.270 nan 0.000 0.465 407 G N 0.799 109.503 108.800 -0.160 0.000 2.338 407 G HA2 0.405 4.364 3.960 -0.001 0.000 0.295 407 G HA3 0.405 4.364 3.960 -0.001 0.000 0.295 407 G C -1.989 172.959 174.900 0.080 0.000 1.461 407 G CA -1.037 44.087 45.100 0.040 0.000 0.817 407 G HN 0.609 nan 8.290 nan 0.000 0.556 408 R N 0.010 120.640 120.500 0.216 0.000 2.538 408 R HA 0.586 4.925 4.340 -0.001 0.000 0.292 408 R C 0.879 177.253 176.300 0.124 0.000 1.008 408 R CA 0.828 56.995 56.100 0.113 0.000 0.896 408 R CB 1.408 31.748 30.300 0.067 0.000 1.187 408 R HN 2.345 nan 8.270 nan 0.000 0.440 409 G N 1.537 110.385 108.800 0.080 0.000 2.596 409 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.295 409 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.295 409 G C 0.671 175.615 174.900 0.073 0.000 1.240 409 G CA 0.621 45.773 45.100 0.087 0.000 0.985 409 G HN 0.765 nan 8.290 nan 0.000 0.555 410 T N -2.328 112.260 114.554 0.057 0.000 3.129 410 T HA 0.374 4.724 4.350 -0.001 0.000 0.251 410 T C 1.057 175.747 174.700 -0.017 0.000 1.117 410 T CA 0.991 63.064 62.100 -0.044 0.000 1.034 410 T CB -0.030 68.745 68.868 -0.155 0.000 0.968 410 T HN 0.660 nan 8.240 nan 0.000 0.526 411 F N 2.703 122.632 119.950 -0.035 0.000 2.661 411 F HA 0.419 4.946 4.527 -0.001 0.000 0.356 411 F C -0.120 175.731 175.800 0.086 0.000 1.244 411 F CA -1.007 57.001 58.000 0.014 0.000 1.290 411 F CB -0.699 38.317 39.000 0.027 0.000 1.677 411 F HN 0.247 nan 8.300 nan 0.000 0.649 412 C N 1.099 120.476 119.300 0.128 0.000 2.630 412 C HA 0.899 5.359 4.460 -0.001 0.000 0.346 412 C C -0.135 174.997 174.990 0.237 0.000 1.245 412 C CA -0.451 58.658 59.018 0.151 0.000 1.804 412 C CB 1.490 29.204 27.740 -0.043 0.000 2.279 412 C HN 0.740 nan 8.230 nan 0.000 0.498 413 S N 0.143 115.982 115.700 0.231 0.000 2.636 413 S HA 0.860 5.330 4.470 -0.001 0.000 0.266 413 S C -1.228 173.498 174.600 0.210 0.000 1.147 413 S CA -0.724 57.568 58.200 0.153 0.000 0.815 413 S CB 1.098 64.312 63.200 0.023 0.000 1.119 413 S HN 1.397 nan 8.310 nan 0.000 0.470 414 F N -1.073 118.911 119.950 0.057 0.000 2.713 414 F HA 0.860 5.387 4.527 -0.001 0.000 0.311 414 F C -1.668 174.141 175.800 0.015 0.000 1.141 414 F CA -0.939 57.074 58.000 0.022 0.000 0.939 414 F CB 0.363 39.412 39.000 0.082 0.000 1.325 414 F HN 0.470 nan 8.300 nan 0.000 0.453 415 D N 0.676 121.223 120.400 0.245 0.000 2.217 415 D HA 0.558 5.198 4.640 -0.001 0.000 0.248 415 D C -0.233 176.250 176.300 0.304 0.000 1.008 415 D CA -0.055 54.036 54.000 0.151 0.000 0.914 415 D CB 2.024 42.885 40.800 0.101 0.000 1.182 415 D HN 0.849 nan 8.370 nan 0.000 0.451 416 T N -2.553 112.120 114.554 0.198 0.000 2.940 416 T HA 0.506 4.855 4.350 -0.001 0.000 0.288 416 T C -2.148 172.655 174.700 0.173 0.000 1.045 416 T CA -1.942 60.301 62.100 0.238 0.000 1.018 416 T CB 1.937 70.930 68.868 0.208 0.000 1.151 416 T HN -0.085 nan 8.240 nan 0.000 0.529 417 P HA 0.081 nan 4.420 nan 0.000 0.218 417 P C -0.237 177.132 177.300 0.116 0.000 1.148 417 P CA 1.300 64.493 63.100 0.155 0.000 0.822 417 P CB -0.079 31.734 31.700 0.189 0.000 0.784 418 D N -4.212 116.256 120.400 0.113 0.000 2.639 418 D HA 0.067 4.706 4.640 -0.001 0.000 0.271 418 D C 0.600 176.936 176.300 0.059 0.000 1.254 418 D CA -0.844 53.203 54.000 0.078 0.000 0.810 418 D CB 0.122 40.968 40.800 0.077 0.000 1.351 418 D HN -0.177 nan 8.370 nan 0.000 0.427 419 E N -0.039 120.181 120.200 0.035 0.000 2.097 419 E HA -0.283 4.066 4.350 -0.001 0.000 0.196 419 E C 1.561 178.171 176.600 0.017 0.000 1.000 419 E CA 1.941 58.348 56.400 0.012 0.000 0.804 419 E CB -0.008 29.693 29.700 0.002 0.000 0.740 419 E HN 0.395 nan 8.360 nan 0.000 0.454 420 S N 0.051 115.773 115.700 0.037 0.000 2.370 420 S HA -0.154 4.316 4.470 -0.001 0.000 0.226 420 S C 2.025 176.668 174.600 0.072 0.000 1.033 420 S CA 1.321 59.549 58.200 0.047 0.000 1.011 420 S CB -0.326 62.907 63.200 0.055 0.000 0.852 420 S HN 0.348 nan 8.310 nan 0.000 0.457 421 I N 1.432 122.066 120.570 0.107 0.000 2.252 421 I HA -0.103 4.066 4.170 -0.001 0.000 0.245 421 I C 2.977 179.113 176.117 0.033 0.000 1.102 421 I CA 1.076 62.463 61.300 0.145 0.000 1.385 421 I CB -0.991 37.138 38.000 0.215 0.000 1.064 421 I HN 0.386 nan 8.210 nan 0.000 0.414 422 R N 1.813 122.325 120.500 0.020 0.000 2.094 422 R HA -0.213 4.126 4.340 -0.001 0.000 0.239 422 R C 1.860 178.116 176.300 -0.072 0.000 1.137 422 R CA 2.020 58.098 56.100 -0.037 0.000 0.943 422 R CB -0.607 29.660 30.300 -0.055 0.000 0.850 422 R HN 0.392 nan 8.270 nan 0.000 0.433 423 N N 0.493 119.159 118.700 -0.056 0.000 2.166 423 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 423 N C 1.774 177.250 175.510 -0.055 0.000 1.019 423 N CA 1.152 54.159 53.050 -0.071 0.000 0.856 423 N CB -0.347 38.109 38.487 -0.052 0.000 0.993 423 N HN 0.099 nan 8.380 nan 0.000 0.426 424 K N 0.950 121.341 120.400 -0.016 0.000 2.057 424 K HA 0.112 4.432 4.320 -0.001 0.000 0.206 424 K C 2.264 178.831 176.600 -0.055 0.000 1.050 424 K CA 0.398 56.693 56.287 0.013 0.000 0.935 424 K CB -0.606 31.975 32.500 0.136 0.000 0.715 424 K HN 0.227 nan 8.250 nan 0.000 0.439 425 L N -0.061 121.078 121.223 -0.141 0.000 2.093 425 L HA -0.034 4.306 4.340 -0.001 0.000 0.208 425 L C 2.513 179.377 176.870 -0.009 0.000 1.085 425 L CA 1.462 56.213 54.840 -0.149 0.000 0.755 425 L CB -0.396 41.601 42.059 -0.102 0.000 0.904 425 L HN 0.238 nan 8.230 nan 0.000 0.435 426 I N -0.959 119.571 120.570 -0.066 0.000 2.179 426 I HA -0.319 3.851 4.170 -0.001 0.000 0.242 426 I C 2.848 178.918 176.117 -0.078 0.000 1.088 426 I CA 1.446 62.681 61.300 -0.108 0.000 1.357 426 I CB -0.230 37.653 38.000 -0.196 0.000 1.051 426 I HN 0.235 nan 8.210 nan 0.000 0.409 427 S N 0.995 116.652 115.700 -0.072 0.000 2.368 427 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 427 S C 2.061 176.647 174.600 -0.024 0.000 1.030 427 S CA 1.116 59.284 58.200 -0.053 0.000 0.999 427 S CB -0.102 63.073 63.200 -0.041 0.000 0.844 427 S HN 0.226 nan 8.310 nan 0.000 0.459 428 I N 2.230 122.793 120.570 -0.011 0.000 2.179 428 I HA -0.084 4.086 4.170 -0.001 0.000 0.242 428 I C 2.946 179.080 176.117 0.027 0.000 1.088 428 I CA 1.374 62.675 61.300 0.003 0.000 1.357 428 I CB -2.050 35.941 38.000 -0.015 0.000 1.051 428 I HN 0.381 nan 8.210 nan 0.000 0.409 429 A N 0.812 123.674 122.820 0.070 0.000 1.917 429 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 429 A C 2.569 180.198 177.584 0.075 0.000 1.182 429 A CA 1.936 54.053 52.037 0.133 0.000 0.633 429 A CB -0.758 18.356 19.000 0.190 0.000 0.819 429 A HN 0.347 nan 8.150 nan 0.000 0.448 430 R N -0.435 120.078 120.500 0.022 0.000 2.073 430 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 430 R C 1.599 177.882 176.300 -0.028 0.000 1.134 430 R CA 1.729 57.826 56.100 -0.006 0.000 0.952 430 R CB -0.347 29.937 30.300 -0.028 0.000 0.850 430 R HN 0.527 nan 8.270 nan 0.000 0.433 431 N N 0.652 119.337 118.700 -0.026 0.000 2.364 431 N HA -0.110 4.630 4.740 -0.001 0.000 0.183 431 N C 0.968 176.470 175.510 -0.013 0.000 1.022 431 N CA 0.934 53.964 53.050 -0.033 0.000 0.883 431 N CB 0.048 38.520 38.487 -0.025 0.000 0.965 431 N HN 0.146 nan 8.380 nan 0.000 0.438 432 K N -0.384 120.025 120.400 0.016 0.000 2.404 432 K HA 0.179 4.499 4.320 -0.001 0.000 0.194 432 K C 0.745 177.381 176.600 0.060 0.000 1.023 432 K CA 0.208 56.517 56.287 0.036 0.000 1.094 432 K CB 0.527 33.058 32.500 0.052 0.000 0.841 432 K HN 0.246 nan 8.250 nan 0.000 0.523 433 G N 0.654 109.487 108.800 0.054 0.000 2.148 433 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.203 433 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.203 433 G C -0.241 174.739 174.900 0.133 0.000 0.993 433 G CA -0.174 44.975 45.100 0.083 0.000 0.661 433 G HN 0.060 nan 8.290 nan 0.000 0.518 434 V N 1.813 121.805 119.914 0.129 0.000 2.482 434 V HA 0.546 4.666 4.120 -0.001 0.000 0.295 434 V C 0.482 176.626 176.094 0.084 0.000 1.026 434 V CA -0.813 61.580 62.300 0.156 0.000 0.856 434 V CB 1.743 33.737 31.823 0.286 0.000 1.001 434 V HN 0.316 nan 8.190 nan 0.000 0.424 435 M N 5.897 125.538 119.600 0.068 0.000 2.194 435 M HA 0.438 4.917 4.480 -0.001 0.000 0.347 435 M C -0.804 175.448 176.300 -0.081 0.000 1.439 435 M CA 0.294 55.621 55.300 0.046 0.000 1.131 435 M CB 0.409 33.097 32.600 0.146 0.000 1.733 435 M HN 0.508 nan 8.290 nan 0.000 0.467 436 L N 2.093 123.194 121.223 -0.203 0.000 2.319 436 L HA 0.826 5.166 4.340 -0.001 0.000 0.267 436 L C 0.580 177.116 176.870 -0.557 0.000 1.011 436 L CA -0.899 53.689 54.840 -0.420 0.000 0.818 436 L CB 2.094 43.855 42.059 -0.497 0.000 1.316 436 L HN 0.658 nan 8.230 nan 0.000 0.432 437 G N -0.574 107.823 108.800 -0.673 0.000 2.454 437 G HA2 0.657 4.617 3.960 -0.001 0.000 0.329 437 G HA3 0.657 4.617 3.960 -0.001 0.000 0.329 437 G C -0.781 173.773 174.900 -0.577 0.000 1.177 437 G CA -0.486 44.070 45.100 -0.907 0.000 0.951 437 G HN 0.733 nan 8.290 nan 0.000 0.485 438 G N -1.688 106.833 108.800 -0.465 0.000 2.489 438 G HA2 0.664 4.623 3.960 -0.001 0.000 0.327 438 G HA3 0.664 4.623 3.960 -0.001 0.000 0.327 438 G C -0.441 174.328 174.900 -0.218 0.000 1.189 438 G CA -0.148 44.757 45.100 -0.324 0.000 0.962 438 G HN 1.558 nan 8.290 nan 0.000 0.486 439 C N -1.454 117.738 119.300 -0.181 0.000 3.288 439 C HA 0.984 5.443 4.460 -0.001 0.000 0.318 439 C C 0.969 175.904 174.990 -0.093 0.000 1.356 439 C CA 0.070 59.017 59.018 -0.118 0.000 1.359 439 C CB 1.096 28.771 27.740 -0.108 0.000 1.688 439 C HN 2.588 nan 8.230 nan 0.000 0.467 440 G N 1.890 110.654 108.800 -0.060 0.000 2.601 440 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.261 440 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.261 440 G C -0.160 174.712 174.900 -0.048 0.000 1.289 440 G CA 1.022 46.099 45.100 -0.039 0.000 0.920 440 G HN 1.018 nan 8.290 nan 0.000 0.571 441 D N 0.570 120.952 120.400 -0.030 0.000 2.162 441 D HA 0.127 4.766 4.640 -0.001 0.000 0.203 441 D C 1.843 178.125 176.300 -0.030 0.000 0.967 441 D CA 1.653 55.638 54.000 -0.026 0.000 0.840 441 D CB 0.009 40.806 40.800 -0.006 0.000 0.972 441 D HN 0.718 nan 8.370 nan 0.000 0.482 442 K N -0.672 119.710 120.400 -0.030 0.000 2.665 442 K HA 0.343 4.662 4.320 -0.001 0.000 0.194 442 K C -0.566 175.996 176.600 -0.063 0.000 1.135 442 K CA -0.334 55.936 56.287 -0.027 0.000 1.089 442 K CB 0.861 33.371 32.500 0.017 0.000 0.817 442 K HN -0.171 nan 8.250 nan 0.000 0.506 443 S N 1.431 117.063 115.700 -0.114 0.000 2.565 443 S HA 0.524 4.994 4.470 -0.001 0.000 0.290 443 S C -0.150 174.242 174.600 -0.346 0.000 1.150 443 S CA -0.669 57.410 58.200 -0.201 0.000 1.058 443 S CB 1.226 64.339 63.200 -0.145 0.000 1.032 443 S HN 0.226 nan 8.310 nan 0.000 0.510 444 I N 3.155 123.351 120.570 -0.623 0.000 2.377 444 I HA 0.489 4.658 4.170 -0.001 0.000 0.293 444 I C 0.316 175.972 176.117 -0.769 0.000 0.987 444 I CA -0.634 60.193 61.300 -0.789 0.000 1.185 444 I CB 1.196 38.532 38.000 -1.107 0.000 1.341 444 I HN 0.576 nan 8.210 nan 0.000 0.455 445 R N 5.025 125.131 120.500 -0.656 0.000 2.854 445 R HA 0.645 4.985 4.340 -0.001 0.000 0.271 445 R C -2.022 173.852 176.300 -0.709 0.000 0.996 445 R CA -0.597 55.209 56.100 -0.490 0.000 0.961 445 R CB 1.774 31.888 30.300 -0.310 0.000 1.182 445 R HN 0.269 nan 8.270 nan 0.000 0.479 446 F N 0.743 120.477 119.950 -0.360 0.000 2.493 446 F HA 0.518 5.045 4.527 -0.001 0.000 0.329 446 F C 0.284 175.816 175.800 -0.447 0.000 1.126 446 F CA -0.918 56.840 58.000 -0.403 0.000 0.937 446 F CB 1.957 40.694 39.000 -0.439 0.000 1.146 446 F HN 0.294 nan 8.300 nan 0.000 0.442 447 R N 2.799 123.145 120.500 -0.256 0.000 2.653 447 R HA 0.305 4.644 4.340 -0.001 0.000 0.269 447 R C -3.049 173.068 176.300 -0.304 0.000 1.603 447 R CA -1.906 53.997 56.100 -0.328 0.000 1.671 447 R CB 0.650 30.729 30.300 -0.367 0.000 1.300 447 R HN 0.274 nan 8.270 nan 0.000 0.668 448 P HA 0.067 nan 4.420 nan 0.000 0.274 448 P C 0.500 177.638 177.300 -0.271 0.000 1.231 448 P CA -0.043 62.798 63.100 -0.431 0.000 0.790 448 P CB 0.648 31.745 31.700 -1.005 0.000 0.951 449 T N -0.776 113.660 114.554 -0.197 0.000 2.726 449 T HA 0.149 4.499 4.350 -0.001 0.000 0.294 449 T C 1.302 175.955 174.700 -0.078 0.000 1.013 449 T CA -0.407 61.599 62.100 -0.157 0.000 0.996 449 T CB -0.144 68.616 68.868 -0.180 0.000 1.016 449 T HN 0.194 nan 8.240 nan 0.000 0.529 450 L N 1.064 122.243 121.223 -0.074 0.000 2.552 450 L HA 0.082 4.421 4.340 -0.001 0.000 0.227 450 L C 2.022 178.907 176.870 0.026 0.000 1.146 450 L CA 0.149 54.971 54.840 -0.030 0.000 0.858 450 L CB -0.385 41.630 42.059 -0.072 0.000 0.969 450 L HN 0.741 nan 8.230 nan 0.000 0.451 451 V N -4.448 115.484 119.914 0.030 0.000 3.421 451 V HA 0.118 4.237 4.120 -0.001 0.000 0.316 451 V C 0.415 176.526 176.094 0.029 0.000 1.347 451 V CA -0.522 61.810 62.300 0.053 0.000 1.183 451 V CB -1.046 30.821 31.823 0.074 0.000 1.092 451 V HN 0.118 nan 8.190 nan 0.000 0.433 452 F N 3.156 123.025 119.950 -0.135 0.000 2.472 452 F HA 0.624 5.151 4.527 -0.001 0.000 0.364 452 F C 0.686 176.474 175.800 -0.020 0.000 1.090 452 F CA -0.513 57.383 58.000 -0.174 0.000 1.188 452 F CB 0.389 39.289 39.000 -0.167 0.000 1.105 452 F HN 0.062 nan 8.300 nan 0.000 0.536 453 R N 3.789 124.035 120.500 -0.424 0.000 2.944 453 R HA 0.197 4.537 4.340 -0.001 0.000 0.233 453 R C 0.907 176.782 176.300 -0.709 0.000 1.346 453 R CA -0.161 55.678 56.100 -0.436 0.000 1.082 453 R CB 0.278 30.287 30.300 -0.484 0.000 1.434 453 R HN 0.693 nan 8.270 nan 0.000 0.510 454 D N 0.054 120.211 120.400 -0.405 0.000 2.144 454 D HA -0.192 4.447 4.640 -0.001 0.000 0.199 454 D C 1.487 177.649 176.300 -0.230 0.000 0.984 454 D CA 1.639 55.440 54.000 -0.332 0.000 0.834 454 D CB -0.628 40.086 40.800 -0.143 0.000 0.955 454 D HN 0.687 nan 8.370 nan 0.000 0.465 455 H N -0.385 118.604 119.070 -0.134 0.000 2.457 455 H HA -0.031 4.524 4.556 -0.001 0.000 0.294 455 H C 1.274 176.482 175.328 -0.200 0.000 1.064 455 H CA 1.341 57.326 56.048 -0.105 0.000 1.330 455 H CB -0.834 28.831 29.762 -0.161 0.000 1.395 455 H HN 0.320 nan 8.280 nan 0.000 0.541 456 H N 1.323 120.144 119.070 -0.415 0.000 2.395 456 H HA 0.125 4.680 4.556 -0.001 0.000 0.299 456 H C 2.612 177.862 175.328 -0.131 0.000 1.070 456 H CA 1.358 57.239 56.048 -0.277 0.000 1.356 456 H CB 0.062 29.491 29.762 -0.555 0.000 1.401 456 H HN 0.511 nan 8.280 nan 0.000 0.524 457 A N 1.009 123.655 122.820 -0.290 0.000 1.883 457 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 457 A C 1.825 179.465 177.584 0.092 0.000 1.186 457 A CA 1.864 53.923 52.037 0.036 0.000 0.624 457 A CB -0.618 18.278 19.000 -0.174 0.000 0.822 457 A HN 0.491 nan 8.150 nan 0.000 0.444 458 H N -0.865 118.250 119.070 0.074 0.000 2.387 458 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 458 H C 2.140 177.530 175.328 0.102 0.000 1.090 458 H CA 1.448 57.542 56.048 0.076 0.000 1.332 458 H CB -0.435 29.351 29.762 0.040 0.000 1.386 458 H HN 0.457 nan 8.280 nan 0.000 0.516 459 L N 0.146 121.521 121.223 0.254 0.000 1.989 459 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 459 L C 2.555 179.575 176.870 0.249 0.000 1.071 459 L CA 1.394 56.377 54.840 0.237 0.000 0.749 459 L CB -0.372 41.852 42.059 0.275 0.000 0.890 459 L HN 0.118 nan 8.230 nan 0.000 0.431 460 F N 0.118 120.191 119.950 0.205 0.000 2.134 460 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 460 F C 2.005 177.931 175.800 0.211 0.000 1.097 460 F CA 1.672 59.801 58.000 0.214 0.000 1.264 460 F CB -0.368 38.778 39.000 0.243 0.000 1.001 460 F HN -0.039 nan 8.300 nan 0.000 0.479 461 L N 0.320 121.450 121.223 -0.155 0.000 2.141 461 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 461 L C 2.235 179.027 176.870 -0.130 0.000 1.094 461 L CA 1.047 55.744 54.840 -0.238 0.000 0.763 461 L CB -0.830 41.258 42.059 0.048 0.000 0.908 461 L HN 0.181 nan 8.230 nan 0.000 0.437 462 N N 0.342 119.029 118.700 -0.021 0.000 2.106 462 N HA -0.129 4.610 4.740 -0.001 0.000 0.188 462 N C 1.886 177.377 175.510 -0.031 0.000 1.029 462 N CA 1.378 54.431 53.050 0.005 0.000 0.848 462 N CB -0.184 38.333 38.487 0.050 0.000 1.007 462 N HN 0.282 nan 8.380 nan 0.000 0.423 463 I N -0.421 120.128 120.570 -0.036 0.000 2.315 463 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 463 I C 1.823 177.912 176.117 -0.047 0.000 1.117 463 I CA 0.746 62.039 61.300 -0.012 0.000 1.404 463 I CB -0.084 37.953 38.000 0.060 0.000 1.071 463 I HN -0.010 nan 8.210 nan 0.000 0.419 464 F N 0.355 120.096 119.950 -0.347 0.000 2.335 464 F HA -0.110 4.416 4.527 -0.001 0.000 0.296 464 F C 2.722 178.355 175.800 -0.279 0.000 1.091 464 F CA 1.118 58.906 58.000 -0.353 0.000 1.399 464 F CB -0.268 38.355 39.000 -0.628 0.000 1.067 464 F HN -0.071 nan 8.300 nan 0.000 0.520 465 S N 0.074 115.657 115.700 -0.195 0.000 2.370 465 S HA -0.211 4.259 4.470 -0.001 0.000 0.226 465 S C 1.819 176.300 174.600 -0.199 0.000 1.033 465 S CA 1.993 60.092 58.200 -0.168 0.000 1.011 465 S CB -0.501 62.687 63.200 -0.020 0.000 0.852 465 S HN 0.427 nan 8.310 nan 0.000 0.457 466 D N 0.956 121.270 120.400 -0.144 0.000 2.178 466 D HA -0.014 4.625 4.640 -0.001 0.000 0.202 466 D C 1.880 178.075 176.300 -0.175 0.000 0.974 466 D CA 0.932 54.865 54.000 -0.110 0.000 0.841 466 D CB -0.341 40.424 40.800 -0.058 0.000 0.953 466 D HN 0.469 nan 8.370 nan 0.000 0.478 467 I N 0.566 120.967 120.570 -0.282 0.000 2.202 467 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 467 I C 2.388 178.244 176.117 -0.436 0.000 1.091 467 I CA 0.717 61.814 61.300 -0.339 0.000 1.368 467 I CB -0.136 37.602 38.000 -0.436 0.000 1.058 467 I HN -0.051 nan 8.210 nan 0.000 0.410 468 L N 0.453 121.247 121.223 -0.716 0.000 2.131 468 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 468 L C 2.789 179.383 176.870 -0.459 0.000 1.092 468 L CA 1.176 55.522 54.840 -0.823 0.000 0.759 468 L CB -0.748 40.473 42.059 -1.396 0.000 0.903 468 L HN 0.250 nan 8.230 nan 0.000 0.435 469 A N -0.515 122.137 122.820 -0.279 0.000 1.972 469 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 469 A C 1.733 179.347 177.584 0.050 0.000 1.169 469 A CA 1.772 53.829 52.037 0.034 0.000 0.635 469 A CB -0.265 18.771 19.000 0.059 0.000 0.810 469 A HN 0.361 nan 8.150 nan 0.000 0.446 470 D N -2.243 118.150 120.400 -0.012 0.000 2.369 470 D HA 0.203 4.843 4.640 -0.001 0.000 0.211 470 D C 0.152 176.460 176.300 0.013 0.000 1.077 470 D CA -0.153 53.850 54.000 0.006 0.000 0.842 470 D CB 0.089 40.881 40.800 -0.012 0.000 0.947 470 D HN 0.380 nan 8.370 nan 0.000 0.509 471 F N 0.000 119.837 119.950 -0.188 0.000 2.286 471 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 471 F CA 0.000 57.834 58.000 -0.276 0.000 1.383 471 F CB 0.000 38.626 39.000 -0.624 0.000 1.145 471 F HN 0.000 nan 8.300 nan 0.000 0.574