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 1su6_1_A DATA FIRST_RESID 4 DATA SEQUENCE QNLKSTDRAV QQMLDKAKRE GIQTVWDRYE AMKPQCGFGE TGLCCRHCLQ DATA SEQUENCE GPCRINPFGD EPKVGICGAT AEVIVARGLD RSIAAGAAGH SGHAKHLAHT DATA SEQUENCE LKKAVQGKAA SYMIKDRTKL HSIAKRLGIP TEGQKDEDIA LEVAKAALAD DATA SEQUENCE FHEKDTPVLW VTTVLPPSRV KVLSAHGLIP AGIDHEIAEI MHRTSMGCDA DATA SEQUENCE DAQNLLLGGL RCSLADLAGC YMGTDLADIL FGTPAPVVTE SNLGVLKADA DATA SEQUENCE VNVAVHGHNP VLSDIIVSVS KEMENEARAA GATGINVVGI CCTGNEVLMR DATA SEQUENCE HGIPACTHSV SQEMAMITGA LDAMILDYQC IQPSVATIAE CTGTTVITTM DATA SEQUENCE EMSKITGATH VNFAEEAAVE NAKQILRLAI DTFKRRKGKP VEIPNIKTKV DATA SEQUENCE VAGFSTEAII NALSKLNAND PLKPLIDNVV NGNIRGVCLF AGCNNVKVPQ DATA SEQUENCE DQNFTTIARK LLKQNVLVVA TGCGAGALMR HGFMDPANVD ELCGDGLKAV DATA SEQUENCE LTAIGEANGL GGPLPPVLHM GSCVDNSRAV ALVAALANRL GVDLDRLPVV DATA SEQUENCE ASAAEAMHEK AVAIGTWAVT IGLPTHIGVL PPITGSLPVT QILTSSVKDI DATA SEQUENCE TGGYFIVELD PETAADKLLA AINERRAGLG LPW 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.902 176.000 -0.164 0.000 1.003 4 Q CA 0.000 55.711 55.803 -0.153 0.000 1.022 4 Q CB 0.000 28.644 28.738 -0.156 0.000 1.108 5 N N 1.522 120.166 118.700 -0.093 0.000 2.364 5 N HA -0.061 4.679 4.740 -0.001 0.000 0.183 5 N C 1.716 177.194 175.510 -0.054 0.000 1.022 5 N CA 1.023 54.037 53.050 -0.060 0.000 0.883 5 N CB -0.117 38.353 38.487 -0.029 0.000 0.965 5 N HN 0.199 nan 8.380 nan 0.000 0.438 6 L N -0.052 121.133 121.223 -0.062 0.000 2.313 6 L HA 0.046 4.386 4.340 -0.001 0.000 0.214 6 L C 1.842 178.688 176.870 -0.040 0.000 1.119 6 L CA 0.879 55.703 54.840 -0.027 0.000 0.809 6 L CB -0.121 41.934 42.059 -0.008 0.000 0.933 6 L HN 0.138 nan 8.230 nan 0.000 0.449 7 K N -0.979 119.302 120.400 -0.198 0.000 2.141 7 K HA 0.119 4.439 4.320 -0.001 0.000 0.202 7 K C 0.820 177.249 176.600 -0.286 0.000 1.045 7 K CA 0.430 56.451 56.287 -0.444 0.000 0.971 7 K CB 0.341 32.132 32.500 -1.182 0.000 0.795 7 K HN 0.073 nan 8.250 nan 0.000 0.459 8 S N -0.075 115.457 115.700 -0.280 0.000 2.540 8 S HA 0.139 4.609 4.470 -0.001 0.000 0.275 8 S C 0.303 174.903 174.600 0.000 0.000 1.123 8 S CA -0.760 57.399 58.200 -0.067 0.000 0.907 8 S CB 1.694 64.823 63.200 -0.119 0.000 1.081 8 S HN 0.271 nan 8.310 nan 0.000 0.476 9 T N -0.260 114.349 114.554 0.092 0.000 3.129 9 T HA 0.163 4.513 4.350 -0.001 0.000 0.251 9 T C 0.238 175.090 174.700 0.253 0.000 1.117 9 T CA 0.023 62.197 62.100 0.122 0.000 1.034 9 T CB -0.251 68.653 68.868 0.060 0.000 0.968 9 T HN 0.511 nan 8.240 nan 0.000 0.526 10 D N 1.223 121.741 120.400 0.197 0.000 2.295 10 D HA 0.219 4.858 4.640 -0.001 0.000 0.248 10 D C 1.027 177.343 176.300 0.027 0.000 1.154 10 D CA -0.441 53.618 54.000 0.100 0.000 0.857 10 D CB 1.161 41.996 40.800 0.059 0.000 1.117 10 D HN 0.165 nan 8.370 nan 0.000 0.468 11 R N 2.648 123.154 120.500 0.010 0.000 2.115 11 R HA -0.081 4.259 4.340 -0.001 0.000 0.230 11 R C 1.915 178.206 176.300 -0.015 0.000 1.111 11 R CA 1.318 57.417 56.100 -0.002 0.000 0.976 11 R CB 0.030 30.332 30.300 0.003 0.000 0.870 11 R HN 0.486 nan 8.270 nan 0.000 0.445 12 A N 0.551 123.359 122.820 -0.020 0.000 1.898 12 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 12 A C 2.283 179.862 177.584 -0.009 0.000 1.181 12 A CA 1.127 53.155 52.037 -0.015 0.000 0.620 12 A CB -0.365 18.624 19.000 -0.018 0.000 0.819 12 A HN 0.101 nan 8.150 nan 0.000 0.442 13 V N 0.119 120.031 119.914 -0.003 0.000 2.343 13 V HA -0.323 3.797 4.120 -0.001 0.000 0.247 13 V C 2.609 178.667 176.094 -0.060 0.000 1.051 13 V CA 2.209 64.508 62.300 -0.003 0.000 1.036 13 V CB -0.997 30.845 31.823 0.032 0.000 0.654 13 V HN 0.634 nan 8.190 nan 0.000 0.451 14 Q N -0.364 119.391 119.800 -0.075 0.000 2.096 14 Q HA -0.318 4.022 4.340 -0.001 0.000 0.204 14 Q C 2.371 178.333 176.000 -0.063 0.000 0.982 14 Q CA 2.099 57.844 55.803 -0.096 0.000 0.850 14 Q CB -0.242 28.453 28.738 -0.071 0.000 0.901 14 Q HN 0.697 nan 8.270 nan 0.000 0.422 15 Q N -0.129 119.649 119.800 -0.036 0.000 2.096 15 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 15 Q C 1.968 177.958 176.000 -0.016 0.000 0.982 15 Q CA 1.215 57.005 55.803 -0.022 0.000 0.850 15 Q CB 0.130 28.860 28.738 -0.013 0.000 0.901 15 Q HN 0.319 nan 8.270 nan 0.000 0.422 16 M N -0.021 119.573 119.600 -0.010 0.000 2.254 16 M HA -0.090 4.390 4.480 -0.001 0.000 0.265 16 M C 2.091 178.395 176.300 0.007 0.000 1.066 16 M CA 1.032 56.337 55.300 0.008 0.000 1.123 16 M CB -0.645 31.970 32.600 0.025 0.000 1.388 16 M HN 0.298 nan 8.290 nan 0.000 0.425 17 L N -0.104 121.104 121.223 -0.024 0.000 2.083 17 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 17 L C 2.033 178.891 176.870 -0.021 0.000 1.083 17 L CA 1.026 55.845 54.840 -0.036 0.000 0.752 17 L CB -0.683 41.291 42.059 -0.141 0.000 0.899 17 L HN 0.235 nan 8.230 nan 0.000 0.433 18 D N -0.087 120.296 120.400 -0.028 0.000 2.144 18 D HA -0.197 4.443 4.640 -0.001 0.000 0.199 18 D C 2.097 178.395 176.300 -0.002 0.000 0.984 18 D CA 1.092 55.082 54.000 -0.017 0.000 0.834 18 D CB 0.011 40.800 40.800 -0.019 0.000 0.955 18 D HN 0.242 nan 8.370 nan 0.000 0.465 19 K N 0.722 121.124 120.400 0.002 0.000 2.026 19 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 19 K C 2.025 178.636 176.600 0.018 0.000 1.048 19 K CA 1.313 57.606 56.287 0.010 0.000 0.929 19 K CB -0.052 32.455 32.500 0.011 0.000 0.713 19 K HN 0.003 nan 8.250 nan 0.000 0.439 20 A N 1.669 124.505 122.820 0.027 0.000 1.933 20 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 20 A C 2.074 179.680 177.584 0.036 0.000 1.175 20 A CA 1.832 53.893 52.037 0.040 0.000 0.628 20 A CB -0.539 18.500 19.000 0.065 0.000 0.814 20 A HN 0.410 nan 8.150 nan 0.000 0.444 21 K N -0.528 119.888 120.400 0.027 0.000 2.002 21 K HA -0.183 4.137 4.320 -0.001 0.000 0.209 21 K C 2.315 178.926 176.600 0.018 0.000 1.048 21 K CA 1.537 57.838 56.287 0.023 0.000 0.930 21 K CB -0.243 32.264 32.500 0.012 0.000 0.714 21 K HN 0.382 nan 8.250 nan 0.000 0.438 22 R N 0.806 121.314 120.500 0.012 0.000 2.096 22 R HA -0.148 4.192 4.340 -0.001 0.000 0.240 22 R C 1.580 177.887 176.300 0.013 0.000 1.139 22 R CA 2.174 58.280 56.100 0.010 0.000 0.952 22 R CB 0.013 30.317 30.300 0.007 0.000 0.854 22 R HN 0.362 nan 8.270 nan 0.000 0.436 23 E N -1.299 118.911 120.200 0.016 0.000 2.489 23 E HA 0.079 4.428 4.350 -0.001 0.000 0.193 23 E C 0.613 177.226 176.600 0.021 0.000 1.057 23 E CA 0.385 56.795 56.400 0.017 0.000 0.866 23 E CB 0.602 30.313 29.700 0.018 0.000 0.916 23 E HN 0.593 nan 8.360 nan 0.000 0.500 24 G N 2.208 111.022 108.800 0.024 0.000 2.198 24 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 24 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 24 G C 0.171 175.091 174.900 0.033 0.000 1.025 24 G CA 0.071 45.187 45.100 0.027 0.000 0.769 24 G HN 0.262 nan 8.290 nan 0.000 0.507 25 I N 0.717 121.311 120.570 0.039 0.000 2.352 25 I HA 0.201 4.371 4.170 -0.001 0.000 0.290 25 I C 0.917 177.071 176.117 0.061 0.000 1.036 25 I CA -0.362 60.966 61.300 0.046 0.000 1.336 25 I CB 1.314 39.342 38.000 0.047 0.000 1.407 25 I HN 0.270 nan 8.210 nan 0.000 0.497 26 Q N 5.808 125.645 119.800 0.061 0.000 2.332 26 Q HA 0.216 4.555 4.340 -0.001 0.000 0.263 26 Q C -0.127 175.930 176.000 0.095 0.000 0.979 26 Q CA -0.246 55.602 55.803 0.075 0.000 0.885 26 Q CB 1.067 29.842 28.738 0.061 0.000 1.218 26 Q HN 0.786 nan 8.270 nan 0.000 0.405 27 T N -0.720 113.915 114.554 0.135 0.000 2.919 27 T HA 0.206 4.555 4.350 -0.001 0.000 0.282 27 T C 0.854 175.634 174.700 0.133 0.000 1.020 27 T CA -0.378 61.822 62.100 0.167 0.000 0.994 27 T CB 0.924 69.973 68.868 0.302 0.000 1.180 27 T HN 0.436 nan 8.240 nan 0.000 0.566 28 V N 0.075 120.018 119.914 0.047 0.000 2.392 28 V HA -0.084 4.036 4.120 -0.001 0.000 0.249 28 V C 1.826 177.872 176.094 -0.080 0.000 1.059 28 V CA 1.557 63.786 62.300 -0.118 0.000 1.051 28 V CB -0.924 30.687 31.823 -0.353 0.000 0.658 28 V HN 0.829 nan 8.190 nan 0.000 0.455 29 W N -0.086 121.280 121.300 0.110 0.000 2.402 29 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 29 W C 2.286 178.890 176.519 0.142 0.000 1.221 29 W CA 1.211 58.652 57.345 0.161 0.000 1.257 29 W CB -0.697 28.838 29.460 0.125 0.000 1.120 29 W HN 0.417 nan 8.180 nan 0.000 0.551 30 D N -0.078 120.501 120.400 0.298 0.000 2.117 30 D HA -0.117 4.523 4.640 -0.001 0.000 0.198 30 D C 2.097 178.474 176.300 0.128 0.000 0.982 30 D CA 1.214 55.320 54.000 0.176 0.000 0.828 30 D CB -0.379 40.502 40.800 0.134 0.000 0.967 30 D HN 0.230 nan 8.370 nan 0.000 0.464 31 R N -0.289 120.284 120.500 0.121 0.000 2.115 31 R HA -0.126 4.213 4.340 -0.001 0.000 0.230 31 R C 2.315 178.692 176.300 0.128 0.000 1.111 31 R CA 0.577 56.732 56.100 0.091 0.000 0.976 31 R CB -0.387 29.951 30.300 0.064 0.000 0.870 31 R HN 0.234 nan 8.270 nan 0.000 0.445 32 Y N 2.310 122.617 120.300 0.012 0.000 2.145 32 Y HA -0.236 4.313 4.550 -0.001 0.000 0.286 32 Y C 2.220 178.145 175.900 0.042 0.000 1.145 32 Y CA 1.730 59.838 58.100 0.013 0.000 1.148 32 Y CB -0.361 38.098 38.460 -0.001 0.000 0.981 32 Y HN -0.053 nan 8.280 nan 0.000 0.507 33 E N 0.482 120.626 120.200 -0.094 0.000 2.085 33 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 33 E C 2.184 178.715 176.600 -0.114 0.000 0.994 33 E CA 1.565 57.852 56.400 -0.187 0.000 0.801 33 E CB -0.628 29.043 29.700 -0.048 0.000 0.743 33 E HN 0.477 nan 8.360 nan 0.000 0.453 34 A N -0.469 122.332 122.820 -0.031 0.000 2.168 34 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 34 A C 1.980 179.557 177.584 -0.012 0.000 1.152 34 A CA 1.311 53.341 52.037 -0.011 0.000 0.716 34 A CB -0.384 18.626 19.000 0.017 0.000 0.794 34 A HN 0.350 nan 8.150 nan 0.000 0.465 35 M N -0.473 119.118 119.600 -0.015 0.000 2.502 35 M HA 0.208 4.688 4.480 -0.001 0.000 0.243 35 M C 0.266 176.554 176.300 -0.021 0.000 1.130 35 M CA 0.491 55.797 55.300 0.010 0.000 1.055 35 M CB -0.095 32.550 32.600 0.074 0.000 1.457 35 M HN 0.100 nan 8.290 nan 0.000 0.488 36 K N 2.189 122.534 120.400 -0.092 0.000 2.270 36 K HA 0.298 4.617 4.320 -0.001 0.000 0.276 36 K C -2.180 174.390 176.600 -0.050 0.000 1.023 36 K CA -1.498 54.731 56.287 -0.097 0.000 0.955 36 K CB 0.020 32.412 32.500 -0.180 0.000 0.975 36 K HN 0.153 nan 8.250 nan 0.000 0.471 37 P HA 0.092 nan 4.420 nan 0.000 0.284 37 P C -0.968 176.333 177.300 0.001 0.000 1.253 37 P CA -0.430 62.657 63.100 -0.022 0.000 0.800 37 P CB 0.938 32.628 31.700 -0.016 0.000 0.961 38 Q N 0.296 120.106 119.800 0.017 0.000 2.312 38 Q HA 0.220 4.559 4.340 -0.001 0.000 0.236 38 Q C -0.040 175.974 176.000 0.025 0.000 0.965 38 Q CA -0.498 55.327 55.803 0.036 0.000 0.894 38 Q CB 1.082 29.861 28.738 0.068 0.000 1.225 38 Q HN 0.554 nan 8.270 nan 0.000 0.478 39 C N 1.794 121.119 119.300 0.042 0.000 2.638 39 C HA 0.153 4.613 4.460 -0.001 0.000 0.410 39 C C 1.765 176.758 174.990 0.006 0.000 1.404 39 C CA 0.094 59.147 59.018 0.057 0.000 1.651 39 C CB -0.998 26.809 27.740 0.112 0.000 2.495 39 C HN 0.983 nan 8.230 nan 0.000 0.606 40 G N 3.966 112.704 108.800 -0.102 0.000 2.448 40 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.218 40 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.218 40 G C 1.054 175.810 174.900 -0.240 0.000 1.135 40 G CA 0.601 45.576 45.100 -0.209 0.000 0.784 40 G HN 0.767 nan 8.290 nan 0.000 0.543 41 F N 1.537 121.476 119.950 -0.018 0.000 2.134 41 F HA 0.052 4.579 4.527 -0.000 0.000 0.299 41 F C 2.853 178.633 175.800 -0.034 0.000 1.097 41 F CA 1.062 59.043 58.000 -0.032 0.000 1.264 41 F CB -0.701 38.281 39.000 -0.031 0.000 1.001 41 F HN 0.166 nan 8.300 nan 0.000 0.479 42 G N 0.071 108.964 108.800 0.154 0.000 2.402 42 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 42 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 42 G C 1.441 176.356 174.900 0.025 0.000 1.162 42 G CA 0.767 45.912 45.100 0.074 0.000 0.777 42 G HN 0.473 nan 8.290 nan 0.000 0.539 43 E N 0.628 120.831 120.200 0.006 0.000 2.153 43 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 43 E C 2.365 178.946 176.600 -0.031 0.000 0.988 43 E CA 1.492 57.882 56.400 -0.016 0.000 0.811 43 E CB -0.587 29.102 29.700 -0.018 0.000 0.746 43 E HN 0.552 nan 8.360 nan 0.000 0.466 44 T N -2.924 111.607 114.554 -0.038 0.000 3.100 44 T HA 0.308 4.658 4.350 -0.001 0.000 0.253 44 T C 1.587 176.263 174.700 -0.040 0.000 1.118 44 T CA 0.387 62.457 62.100 -0.050 0.000 1.058 44 T CB 0.494 69.314 68.868 -0.079 0.000 0.953 44 T HN 0.387 nan 8.240 nan 0.000 0.515 45 G N 1.434 110.223 108.800 -0.019 0.000 2.175 45 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 45 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 45 G C 0.272 175.167 174.900 -0.008 0.000 0.982 45 G CA 0.093 45.181 45.100 -0.020 0.000 0.641 45 G HN 0.581 nan 8.290 nan 0.000 0.527 46 L N 0.952 122.189 121.223 0.023 0.000 2.873 46 L HA 0.494 4.834 4.340 -0.001 0.000 0.236 46 L C 0.748 177.663 176.870 0.076 0.000 1.375 46 L CA -0.261 54.607 54.840 0.046 0.000 1.239 46 L CB 0.099 42.208 42.059 0.083 0.000 1.603 46 L HN 0.395 nan 8.230 nan 0.000 0.430 47 C N 0.134 119.445 119.300 0.018 0.000 2.782 47 C HA 0.682 5.141 4.460 -0.001 0.000 0.328 47 C C -0.623 174.333 174.990 -0.058 0.000 1.145 47 C CA -1.016 57.992 59.018 -0.016 0.000 1.358 47 C CB 1.219 28.974 27.740 0.025 0.000 1.841 47 C HN 0.654 nan 8.230 nan 0.000 0.477 48 C N 5.982 125.230 119.300 -0.085 0.000 2.535 48 C HA 0.748 5.207 4.460 -0.001 0.000 0.319 48 C C 0.228 175.193 174.990 -0.043 0.000 1.171 48 C CA -0.405 58.536 59.018 -0.127 0.000 1.394 48 C CB 0.826 28.433 27.740 -0.220 0.000 1.990 48 C HN 1.054 nan 8.230 nan 0.000 0.466 49 R N 2.800 123.339 120.500 0.065 0.000 2.690 49 R HA 0.223 4.563 4.340 -0.001 0.000 0.419 49 R C 0.704 177.122 176.300 0.198 0.000 1.090 49 R CA -0.193 55.965 56.100 0.097 0.000 1.064 49 R CB -0.132 30.209 30.300 0.069 0.000 1.391 49 R HN 0.820 nan 8.270 nan 0.000 0.586 50 H N -0.614 118.446 119.070 -0.016 0.000 2.556 50 H HA 0.050 4.606 4.556 -0.001 0.000 0.268 50 H C 0.853 176.176 175.328 -0.009 0.000 0.996 50 H CA 0.054 56.095 56.048 -0.011 0.000 1.157 50 H CB 0.350 30.107 29.762 -0.008 0.000 1.355 50 H HN 0.345 nan 8.280 nan 0.000 0.597 51 C N -1.986 117.375 119.300 0.101 0.000 3.318 51 C HA 0.309 4.769 4.460 -0.001 0.000 0.322 51 C C 1.046 176.051 174.990 0.026 0.000 1.398 51 C CA -1.033 58.014 59.018 0.049 0.000 1.339 51 C CB 0.615 28.380 27.740 0.041 0.000 1.668 51 C HN 0.222 nan 8.230 nan 0.000 0.462 52 L N 0.965 122.196 121.223 0.013 0.000 2.599 52 L HA 0.082 4.422 4.340 -0.001 0.000 0.230 52 L C 2.286 179.155 176.870 -0.002 0.000 1.141 52 L CA 0.608 55.450 54.840 0.004 0.000 0.877 52 L CB -0.563 41.496 42.059 0.001 0.000 1.009 52 L HN 0.789 nan 8.230 nan 0.000 0.447 53 Q N 0.230 120.029 119.800 -0.001 0.000 2.435 53 Q HA 0.055 4.395 4.340 -0.001 0.000 0.207 53 Q C 1.414 177.403 176.000 -0.017 0.000 0.956 53 Q CA 0.365 56.162 55.803 -0.009 0.000 0.917 53 Q CB 0.125 28.857 28.738 -0.009 0.000 0.997 53 Q HN 0.532 nan 8.270 nan 0.000 0.497 54 G N 1.968 110.760 108.800 -0.013 0.000 2.588 54 G HA2 0.303 4.263 3.960 -0.001 0.000 0.278 54 G HA3 0.303 4.263 3.960 -0.001 0.000 0.278 54 G C -2.372 172.511 174.900 -0.028 0.000 1.307 54 G CA -0.899 44.186 45.100 -0.024 0.000 1.016 54 G HN 0.003 nan 8.290 nan 0.000 0.503 55 P HA 0.386 nan 4.420 nan 0.000 0.278 55 P C -0.789 176.460 177.300 -0.084 0.000 1.238 55 P CA -0.475 62.593 63.100 -0.053 0.000 0.794 55 P CB 1.122 32.787 31.700 -0.059 0.000 0.955 56 C N 3.027 122.274 119.300 -0.089 0.000 2.376 56 C HA 0.722 5.182 4.460 -0.001 0.000 0.335 56 C C 0.682 175.579 174.990 -0.155 0.000 1.229 56 C CA -0.346 58.603 59.018 -0.114 0.000 1.867 56 C CB 0.624 28.310 27.740 -0.089 0.000 2.319 56 C HN 0.696 nan 8.230 nan 0.000 0.515 57 R N 2.110 122.480 120.500 -0.217 0.000 2.867 57 R HA 0.877 5.217 4.340 -0.001 0.000 0.268 57 R C -1.932 174.269 176.300 -0.166 0.000 1.014 57 R CA -0.685 55.246 56.100 -0.282 0.000 0.946 57 R CB 1.226 31.073 30.300 -0.755 0.000 1.208 57 R HN 0.664 nan 8.270 nan 0.000 0.477 58 I N 1.391 121.957 120.570 -0.007 0.000 2.499 58 I HA 0.250 4.420 4.170 -0.001 0.000 0.288 58 I C -0.684 175.565 176.117 0.220 0.000 1.048 58 I CA -1.032 60.300 61.300 0.053 0.000 1.062 58 I CB 2.306 40.308 38.000 0.003 0.000 1.238 58 I HN 0.680 nan 8.210 nan 0.000 0.426 59 N N 7.806 126.629 118.700 0.205 0.000 2.447 59 N HA 0.041 4.780 4.740 -0.001 0.000 0.263 59 N C -1.730 173.759 175.510 -0.035 0.000 1.226 59 N CA -0.893 52.278 53.050 0.201 0.000 0.906 59 N CB 0.706 39.282 38.487 0.149 0.000 1.060 59 N HN 0.382 nan 8.380 nan 0.000 0.468 60 P HA -0.115 nan 4.420 nan 0.000 0.216 60 P C -0.640 176.122 177.300 -0.898 0.000 1.153 60 P CA 1.425 64.222 63.100 -0.505 0.000 0.858 60 P CB 0.285 31.724 31.700 -0.435 0.000 0.789 61 F N -3.205 116.743 119.950 -0.004 0.000 2.613 61 F HA 0.618 5.145 4.527 -0.000 0.000 0.314 61 F C 1.057 176.864 175.800 0.012 0.000 1.075 61 F CA 0.008 58.009 58.000 0.001 0.000 0.945 61 F CB 1.606 40.600 39.000 -0.010 0.000 1.310 61 F HN 0.068 nan 8.300 nan 0.000 0.467 62 G N 1.258 110.188 108.800 0.216 0.000 2.408 62 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.204 62 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.204 62 G C -1.273 173.678 174.900 0.086 0.000 1.186 62 G CA -0.497 44.680 45.100 0.128 0.000 1.139 62 G HN 0.540 nan 8.290 nan 0.000 0.563 63 D N 0.757 121.199 120.400 0.069 0.000 2.560 63 D HA 0.541 5.181 4.640 -0.001 0.000 0.277 63 D C 0.708 177.035 176.300 0.044 0.000 1.194 63 D CA -0.355 53.674 54.000 0.049 0.000 1.092 63 D CB 0.019 40.843 40.800 0.040 0.000 1.169 63 D HN 0.576 nan 8.370 nan 0.000 0.607 64 E N 0.707 120.924 120.200 0.030 0.000 2.422 64 E HA 0.156 4.506 4.350 -0.001 0.000 0.260 64 E C -1.945 174.670 176.600 0.024 0.000 1.108 64 E CA -0.878 55.533 56.400 0.019 0.000 0.943 64 E CB 0.217 29.922 29.700 0.008 0.000 0.961 64 E HN 0.183 nan 8.360 nan 0.000 0.443 65 P HA 0.099 nan 4.420 nan 0.000 0.279 65 P C -0.777 176.523 177.300 0.000 0.000 1.239 65 P CA -0.105 62.989 63.100 -0.010 0.000 0.789 65 P CB 1.071 32.745 31.700 -0.045 0.000 0.933 66 K N 0.377 120.773 120.400 -0.007 0.000 2.380 66 K HA 0.303 4.622 4.320 -0.001 0.000 0.198 66 K C 0.284 176.872 176.600 -0.021 0.000 1.070 66 K CA -0.021 56.261 56.287 -0.009 0.000 1.040 66 K CB 1.025 33.523 32.500 -0.004 0.000 0.903 66 K HN 0.226 nan 8.250 nan 0.000 0.549 67 V N 0.128 120.026 119.914 -0.026 0.000 3.048 67 V HA 0.516 4.636 4.120 -0.001 0.000 0.303 67 V C -0.860 175.210 176.094 -0.040 0.000 1.214 67 V CA -0.860 61.422 62.300 -0.031 0.000 0.984 67 V CB 1.757 33.565 31.823 -0.024 0.000 1.054 67 V HN 0.251 nan 8.190 nan 0.000 0.430 68 G N 3.593 112.366 108.800 -0.046 0.000 2.559 68 G HA2 0.278 4.238 3.960 -0.001 0.000 0.235 68 G HA3 0.278 4.238 3.960 -0.001 0.000 0.235 68 G C 0.878 175.753 174.900 -0.041 0.000 1.266 68 G CA 0.086 45.155 45.100 -0.052 0.000 0.847 68 G HN 0.868 nan 8.290 nan 0.000 0.583 69 I N 0.734 121.279 120.570 -0.041 0.000 2.264 69 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 69 I C 2.711 178.814 176.117 -0.023 0.000 1.111 69 I CA 1.598 62.879 61.300 -0.031 0.000 1.382 69 I CB -0.154 37.828 38.000 -0.030 0.000 1.060 69 I HN 0.671 nan 8.210 nan 0.000 0.418 70 C N -0.076 119.211 119.300 -0.023 0.000 2.576 70 C HA 0.479 4.939 4.460 -0.001 0.000 0.267 70 C C 1.789 176.769 174.990 -0.017 0.000 1.364 70 C CA -0.125 58.883 59.018 -0.016 0.000 1.723 70 C CB -0.992 26.740 27.740 -0.012 0.000 1.778 70 C HN 0.727 nan 8.230 nan 0.000 0.572 71 G N 0.089 108.876 108.800 -0.021 0.000 2.176 71 G HA2 0.110 4.070 3.960 -0.001 0.000 0.232 71 G HA3 0.110 4.070 3.960 -0.001 0.000 0.232 71 G C 0.242 175.127 174.900 -0.026 0.000 0.986 71 G CA 0.118 45.205 45.100 -0.021 0.000 0.643 71 G HN 1.526 nan 8.290 nan 0.000 0.522 72 A N 1.290 124.090 122.820 -0.034 0.000 2.524 72 A HA 0.597 4.917 4.320 -0.001 0.000 0.250 72 A C 1.132 178.690 177.584 -0.044 0.000 1.078 72 A CA 1.351 53.363 52.037 -0.042 0.000 0.761 72 A CB -0.041 18.923 19.000 -0.060 0.000 1.012 72 A HN 1.750 nan 8.150 nan 0.000 0.500 73 T N -0.031 114.500 114.554 -0.038 0.000 2.816 73 T HA 0.512 4.861 4.350 -0.001 0.000 0.282 73 T C 1.464 176.137 174.700 -0.045 0.000 0.993 73 T CA -0.095 61.983 62.100 -0.036 0.000 0.994 73 T CB 1.105 69.956 68.868 -0.028 0.000 1.025 73 T HN 1.163 nan 8.240 nan 0.000 0.529 74 A N 0.686 123.480 122.820 -0.044 0.000 1.908 74 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 74 A C 2.294 179.849 177.584 -0.048 0.000 1.181 74 A CA 1.900 53.906 52.037 -0.051 0.000 0.627 74 A CB -1.089 17.876 19.000 -0.059 0.000 0.818 74 A HN 1.025 nan 8.150 nan 0.000 0.445 75 E N -0.453 119.723 120.200 -0.039 0.000 2.208 75 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 75 E C 1.673 178.253 176.600 -0.034 0.000 0.988 75 E CA 1.230 57.610 56.400 -0.033 0.000 0.828 75 E CB -0.434 29.252 29.700 -0.023 0.000 0.763 75 E HN 0.295 nan 8.360 nan 0.000 0.478 76 V N 1.791 121.682 119.914 -0.037 0.000 2.358 76 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 76 V C 2.424 178.481 176.094 -0.061 0.000 1.047 76 V CA 1.492 63.767 62.300 -0.041 0.000 1.035 76 V CB -0.372 31.427 31.823 -0.040 0.000 0.658 76 V HN 0.290 nan 8.190 nan 0.000 0.452 77 I N -0.449 120.074 120.570 -0.079 0.000 2.226 77 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 77 I C 2.373 178.436 176.117 -0.090 0.000 1.100 77 I CA 1.262 62.493 61.300 -0.115 0.000 1.374 77 I CB -0.368 37.567 38.000 -0.108 0.000 1.057 77 I HN 0.148 nan 8.210 nan 0.000 0.413 78 V N 0.925 120.802 119.914 -0.062 0.000 2.358 78 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 78 V C 2.664 178.736 176.094 -0.037 0.000 1.047 78 V CA 1.992 64.263 62.300 -0.049 0.000 1.035 78 V CB -0.853 30.942 31.823 -0.047 0.000 0.658 78 V HN 0.489 nan 8.190 nan 0.000 0.452 79 A N -0.317 122.485 122.820 -0.029 0.000 1.969 79 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 79 A C 2.365 179.950 177.584 0.001 0.000 1.169 79 A CA 1.458 53.488 52.037 -0.012 0.000 0.635 79 A CB -0.426 18.570 19.000 -0.006 0.000 0.810 79 A HN 0.497 nan 8.150 nan 0.000 0.445 80 R N -0.887 119.609 120.500 -0.008 0.000 2.075 80 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 80 R C 2.420 178.768 176.300 0.081 0.000 1.126 80 R CA 1.090 57.212 56.100 0.037 0.000 0.963 80 R CB -0.600 29.704 30.300 0.006 0.000 0.858 80 R HN 0.521 nan 8.270 nan 0.000 0.435 81 G N 1.472 110.291 108.800 0.031 0.000 2.418 81 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 81 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 81 G C 1.347 176.267 174.900 0.033 0.000 1.158 81 G CA 0.366 45.499 45.100 0.056 0.000 0.771 81 G HN 0.162 nan 8.290 nan 0.000 0.545 82 L N 0.937 122.164 121.223 0.007 0.000 2.046 82 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 82 L C 2.111 178.994 176.870 0.022 0.000 1.077 82 L CA 2.180 57.019 54.840 -0.002 0.000 0.747 82 L CB -0.561 41.487 42.059 -0.019 0.000 0.896 82 L HN 0.078 nan 8.230 nan 0.000 0.432 83 D N -0.587 119.835 120.400 0.036 0.000 2.117 83 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 83 D C 2.342 178.670 176.300 0.046 0.000 0.987 83 D CA 1.153 55.180 54.000 0.046 0.000 0.829 83 D CB -0.066 40.761 40.800 0.046 0.000 0.961 83 D HN 0.347 nan 8.370 nan 0.000 0.460 84 R N 0.267 120.797 120.500 0.049 0.000 2.115 84 R HA -0.006 4.334 4.340 -0.001 0.000 0.230 84 R C 2.364 178.675 176.300 0.019 0.000 1.111 84 R CA 0.897 57.015 56.100 0.030 0.000 0.976 84 R CB -0.173 30.142 30.300 0.024 0.000 0.870 84 R HN 0.050 nan 8.270 nan 0.000 0.445 85 S N 1.214 116.924 115.700 0.017 0.000 2.359 85 S HA -0.119 4.351 4.470 -0.001 0.000 0.224 85 S C 1.981 176.598 174.600 0.028 0.000 1.035 85 S CA 1.172 59.374 58.200 0.004 0.000 1.018 85 S CB -0.171 63.023 63.200 -0.010 0.000 0.876 85 S HN 0.223 nan 8.310 nan 0.000 0.448 86 I N 1.604 122.202 120.570 0.047 0.000 2.226 86 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 86 I C 2.664 178.832 176.117 0.084 0.000 1.100 86 I CA 1.072 62.420 61.300 0.080 0.000 1.374 86 I CB -0.463 37.593 38.000 0.093 0.000 1.057 86 I HN 0.265 nan 8.210 nan 0.000 0.413 87 A N 0.731 123.589 122.820 0.062 0.000 1.933 87 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 87 A C 2.548 180.162 177.584 0.050 0.000 1.175 87 A CA 1.766 53.838 52.037 0.058 0.000 0.628 87 A CB -0.779 18.244 19.000 0.038 0.000 0.814 87 A HN 0.423 nan 8.150 nan 0.000 0.444 88 A N -0.377 122.462 122.820 0.031 0.000 1.877 88 A HA 0.116 4.436 4.320 -0.001 0.000 0.216 88 A C 2.432 180.037 177.584 0.035 0.000 1.186 88 A CA 1.969 54.016 52.037 0.017 0.000 0.620 88 A CB -1.440 17.553 19.000 -0.012 0.000 0.822 88 A HN 0.719 nan 8.150 nan 0.000 0.443 89 G N -0.431 108.404 108.800 0.057 0.000 2.446 89 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.217 89 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.217 89 G C 1.791 176.728 174.900 0.061 0.000 1.168 89 G CA 1.646 46.783 45.100 0.062 0.000 0.771 89 G HN 0.850 nan 8.290 nan 0.000 0.551 90 A N 1.191 124.091 122.820 0.133 0.000 1.917 90 A HA 0.156 4.476 4.320 -0.001 0.000 0.219 90 A C 2.812 180.470 177.584 0.124 0.000 1.182 90 A CA 2.508 54.644 52.037 0.165 0.000 0.633 90 A CB -0.817 18.268 19.000 0.142 0.000 0.819 90 A HN 0.897 nan 8.150 nan 0.000 0.448 91 A N -0.790 122.075 122.820 0.076 0.000 1.969 91 A HA 0.170 4.489 4.320 -0.001 0.000 0.218 91 A C 2.337 179.931 177.584 0.017 0.000 1.169 91 A CA 1.853 53.925 52.037 0.058 0.000 0.635 91 A CB -1.145 17.872 19.000 0.029 0.000 0.810 91 A HN 0.691 nan 8.150 nan 0.000 0.445 92 G N -1.277 107.496 108.800 -0.044 0.000 2.395 92 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.214 92 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.214 92 G C 1.368 176.219 174.900 -0.081 0.000 1.177 92 G CA 1.009 46.029 45.100 -0.133 0.000 0.794 92 G HN 0.730 nan 8.290 nan 0.000 0.532 93 H N -0.263 118.831 119.070 0.039 0.000 2.421 93 H HA 0.010 4.566 4.556 -0.000 0.000 0.298 93 H C 2.894 178.292 175.328 0.117 0.000 1.087 93 H CA 1.065 57.137 56.048 0.040 0.000 1.330 93 H CB 0.223 30.011 29.762 0.043 0.000 1.388 93 H HN 0.395 nan 8.280 nan 0.000 0.526 94 S N -0.376 115.479 115.700 0.258 0.000 2.356 94 S HA -0.137 4.333 4.470 -0.001 0.000 0.223 94 S C 2.493 177.274 174.600 0.303 0.000 1.032 94 S CA 1.127 59.531 58.200 0.340 0.000 1.005 94 S CB -0.643 62.759 63.200 0.336 0.000 0.867 94 S HN 0.610 nan 8.310 nan 0.000 0.449 95 G N -0.175 108.706 108.800 0.134 0.000 2.421 95 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 95 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 95 G C 1.201 176.170 174.900 0.115 0.000 1.171 95 G CA 1.297 46.403 45.100 0.010 0.000 0.775 95 G HN 0.759 nan 8.290 nan 0.000 0.543 96 H N 0.804 119.926 119.070 0.087 0.000 2.265 96 H HA -0.005 4.550 4.556 -0.001 0.000 0.295 96 H C 2.774 178.238 175.328 0.227 0.000 1.084 96 H CA 2.030 58.237 56.048 0.267 0.000 1.261 96 H CB -0.116 29.820 29.762 0.291 0.000 1.360 96 H HN 0.311 nan 8.280 nan 0.000 0.487 97 A N 0.757 123.834 122.820 0.428 0.000 1.902 97 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 97 A C 2.320 180.011 177.584 0.179 0.000 1.181 97 A CA 1.705 53.915 52.037 0.288 0.000 0.623 97 A CB -0.628 18.494 19.000 0.204 0.000 0.818 97 A HN 0.529 nan 8.150 nan 0.000 0.443 98 K N -1.258 119.222 120.400 0.134 0.000 2.063 98 K HA -0.265 4.055 4.320 -0.001 0.000 0.208 98 K C 2.133 178.747 176.600 0.024 0.000 1.048 98 K CA 1.640 57.842 56.287 -0.142 0.000 0.928 98 K CB -0.322 31.950 32.500 -0.379 0.000 0.713 98 K HN 0.617 nan 8.250 nan 0.000 0.442 99 H N 1.041 120.145 119.070 0.056 0.000 2.319 99 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 99 H C 1.891 177.263 175.328 0.075 0.000 1.092 99 H CA 1.836 57.957 56.048 0.121 0.000 1.302 99 H CB -0.345 29.518 29.762 0.169 0.000 1.373 99 H HN 0.177 nan 8.280 nan 0.000 0.497 100 L N -0.346 120.948 121.223 0.117 0.000 2.093 100 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 100 L C 2.937 179.804 176.870 -0.005 0.000 1.085 100 L CA 0.997 55.845 54.840 0.014 0.000 0.755 100 L CB -0.531 41.548 42.059 0.035 0.000 0.904 100 L HN 0.322 nan 8.230 nan 0.000 0.435 101 A N -0.949 121.844 122.820 -0.045 0.000 1.902 101 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 101 A C 2.122 179.631 177.584 -0.124 0.000 1.181 101 A CA 1.382 53.344 52.037 -0.125 0.000 0.623 101 A CB -0.716 18.152 19.000 -0.220 0.000 0.818 101 A HN 0.413 nan 8.150 nan 0.000 0.443 102 H N -0.324 118.753 119.070 0.012 0.000 2.423 102 H HA -0.067 4.488 4.556 -0.001 0.000 0.297 102 H C 2.242 177.562 175.328 -0.012 0.000 1.075 102 H CA 1.810 57.858 56.048 0.001 0.000 1.342 102 H CB -0.581 29.180 29.762 -0.001 0.000 1.395 102 H HN 0.457 nan 8.280 nan 0.000 0.530 103 T N 1.661 116.270 114.554 0.092 0.000 2.737 103 T HA -0.109 4.241 4.350 -0.001 0.000 0.265 103 T C 2.216 176.861 174.700 -0.090 0.000 1.038 103 T CA 0.861 62.920 62.100 -0.069 0.000 1.144 103 T CB -0.401 68.350 68.868 -0.194 0.000 0.866 103 T HN 0.084 nan 8.240 nan 0.000 0.434 104 L N 1.605 122.790 121.223 -0.064 0.000 2.042 104 L HA -0.010 4.329 4.340 -0.001 0.000 0.210 104 L C 2.335 179.201 176.870 -0.006 0.000 1.076 104 L CA 1.907 56.720 54.840 -0.045 0.000 0.749 104 L CB -0.608 41.429 42.059 -0.038 0.000 0.893 104 L HN 0.115 nan 8.230 nan 0.000 0.432 105 K N -0.464 119.942 120.400 0.010 0.000 2.032 105 K HA -0.235 4.085 4.320 -0.001 0.000 0.209 105 K C 2.165 178.785 176.600 0.034 0.000 1.048 105 K CA 1.849 58.155 56.287 0.032 0.000 0.927 105 K CB -0.112 32.422 32.500 0.055 0.000 0.712 105 K HN 0.306 nan 8.250 nan 0.000 0.441 106 K N 0.064 120.485 120.400 0.034 0.000 2.032 106 K HA -0.154 4.166 4.320 -0.001 0.000 0.209 106 K C 2.218 178.841 176.600 0.038 0.000 1.048 106 K CA 1.369 57.673 56.287 0.029 0.000 0.927 106 K CB -0.260 32.249 32.500 0.014 0.000 0.712 106 K HN 0.258 nan 8.250 nan 0.000 0.441 107 A N 1.229 124.074 122.820 0.041 0.000 1.892 107 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 107 A C 2.291 179.908 177.584 0.055 0.000 1.188 107 A CA 2.219 54.301 52.037 0.075 0.000 0.631 107 A CB -0.869 18.181 19.000 0.083 0.000 0.822 107 A HN 0.240 nan 8.150 nan 0.000 0.447 108 V N -3.199 116.738 119.914 0.038 0.000 3.573 108 V HA 0.028 4.148 4.120 -0.001 0.000 0.270 108 V C 1.431 177.544 176.094 0.031 0.000 1.221 108 V CA 1.367 63.687 62.300 0.033 0.000 1.163 108 V CB -0.691 31.148 31.823 0.027 0.000 0.847 108 V HN 0.573 nan 8.190 nan 0.000 0.468 109 Q N 0.962 120.781 119.800 0.032 0.000 2.320 109 Q HA 0.338 4.678 4.340 -0.001 0.000 0.201 109 Q C 1.735 177.751 176.000 0.027 0.000 0.910 109 Q CA 0.468 56.288 55.803 0.028 0.000 0.946 109 Q CB 0.470 29.224 28.738 0.027 0.000 1.062 109 Q HN 0.885 nan 8.270 nan 0.000 0.503 110 G N 1.441 110.261 108.800 0.033 0.000 2.168 110 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.263 110 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.263 110 G C 0.800 175.721 174.900 0.034 0.000 0.977 110 G CA 0.695 45.814 45.100 0.032 0.000 0.659 110 G HN 0.317 nan 8.290 nan 0.000 0.533 111 K N 0.011 120.433 120.400 0.036 0.000 2.444 111 K HA 0.535 4.855 4.320 -0.001 0.000 0.193 111 K C 0.976 177.606 176.600 0.049 0.000 1.024 111 K CA 0.784 57.090 56.287 0.031 0.000 1.077 111 K CB 0.390 32.903 32.500 0.021 0.000 0.833 111 K HN 0.789 nan 8.250 nan 0.000 0.517 112 A N 0.117 122.987 122.820 0.083 0.000 2.969 112 A HA 0.481 4.800 4.320 -0.001 0.000 0.303 112 A C 0.362 178.059 177.584 0.188 0.000 1.198 112 A CA -0.425 51.703 52.037 0.151 0.000 0.819 112 A CB 0.493 19.608 19.000 0.192 0.000 1.385 112 A HN 0.107 nan 8.150 nan 0.000 0.479 113 A N 0.308 123.189 122.820 0.103 0.000 2.131 113 A HA -0.001 4.318 4.320 -0.001 0.000 0.220 113 A C 1.979 179.580 177.584 0.028 0.000 1.158 113 A CA 2.216 54.290 52.037 0.062 0.000 0.665 113 A CB -0.333 18.685 19.000 0.031 0.000 0.795 113 A HN 0.892 nan 8.150 nan 0.000 0.460 114 S N -1.549 114.146 115.700 -0.007 0.000 2.481 114 S HA 0.061 4.531 4.470 -0.001 0.000 0.231 114 S C 0.013 174.379 174.600 -0.390 0.000 0.996 114 S CA 0.463 58.532 58.200 -0.217 0.000 0.942 114 S CB -0.293 62.695 63.200 -0.353 0.000 0.768 114 S HN 0.622 nan 8.310 nan 0.000 0.520 115 Y N 1.225 121.570 120.300 0.074 0.000 2.446 115 Y HA 0.697 5.247 4.550 -0.000 0.000 0.338 115 Y C 0.150 176.056 175.900 0.010 0.000 1.055 115 Y CA -1.176 56.958 58.100 0.056 0.000 1.101 115 Y CB 1.082 39.573 38.460 0.052 0.000 1.221 115 Y HN 0.055 nan 8.280 nan 0.000 0.460 116 M N 0.779 120.451 119.600 0.119 0.000 2.773 116 M HA 0.565 5.044 4.480 -0.001 0.000 0.270 116 M C -1.991 174.315 176.300 0.009 0.000 1.238 116 M CA -0.898 54.435 55.300 0.056 0.000 0.832 116 M CB 1.882 34.507 32.600 0.041 0.000 1.672 116 M HN 0.497 nan 8.290 nan 0.000 0.480 117 I N 2.638 123.216 120.570 0.014 0.000 2.483 117 I HA 0.096 4.265 4.170 -0.001 0.000 0.291 117 I C 0.888 177.013 176.117 0.014 0.000 1.112 117 I CA 0.150 61.455 61.300 0.008 0.000 1.350 117 I CB 0.375 38.394 38.000 0.032 0.000 1.419 117 I HN 0.702 nan 8.210 nan 0.000 0.523 118 K N 3.081 123.482 120.400 0.002 0.000 2.214 118 K HA 0.038 4.358 4.320 -0.001 0.000 0.201 118 K C 0.401 177.017 176.600 0.027 0.000 1.049 118 K CA 0.447 56.748 56.287 0.023 0.000 0.978 118 K CB 0.256 32.782 32.500 0.042 0.000 0.842 118 K HN 0.476 nan 8.250 nan 0.000 0.474 119 D N 1.518 121.933 120.400 0.026 0.000 2.499 119 D HA 0.090 4.730 4.640 -0.001 0.000 0.225 119 D C 0.622 176.952 176.300 0.051 0.000 1.124 119 D CA -0.033 53.988 54.000 0.034 0.000 0.938 119 D CB 0.637 41.459 40.800 0.037 0.000 1.014 119 D HN -0.020 nan 8.370 nan 0.000 0.517 120 R N 1.214 121.741 120.500 0.045 0.000 2.073 120 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 120 R C 1.524 177.867 176.300 0.073 0.000 1.134 120 R CA 1.567 57.707 56.100 0.067 0.000 0.952 120 R CB 0.180 30.480 30.300 0.001 0.000 0.850 120 R HN 0.311 nan 8.270 nan 0.000 0.433 121 T N 0.676 115.234 114.554 0.008 0.000 2.720 121 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 121 T C 1.676 176.421 174.700 0.075 0.000 1.037 121 T CA 1.745 63.849 62.100 0.007 0.000 1.144 121 T CB -0.138 68.727 68.868 -0.006 0.000 0.864 121 T HN 0.201 nan 8.240 nan 0.000 0.444 122 K N 0.805 121.250 120.400 0.074 0.000 2.057 122 K HA -0.012 4.308 4.320 -0.001 0.000 0.206 122 K C 2.102 178.770 176.600 0.113 0.000 1.050 122 K CA 0.773 57.112 56.287 0.086 0.000 0.935 122 K CB -0.639 31.905 32.500 0.074 0.000 0.715 122 K HN 0.166 nan 8.250 nan 0.000 0.439 123 L N 0.730 122.031 121.223 0.131 0.000 1.997 123 L HA -0.238 4.102 4.340 -0.001 0.000 0.216 123 L C 1.748 178.686 176.870 0.113 0.000 1.074 123 L CA 2.116 57.033 54.840 0.129 0.000 0.763 123 L CB -0.847 41.300 42.059 0.147 0.000 0.890 123 L HN 0.354 nan 8.230 nan 0.000 0.434 124 H N -0.891 118.192 119.070 0.022 0.000 2.389 124 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 124 H C 2.478 177.809 175.328 0.005 0.000 1.081 124 H CA 1.501 57.556 56.048 0.012 0.000 1.345 124 H CB -0.398 29.369 29.762 0.008 0.000 1.393 124 H HN 0.608 nan 8.280 nan 0.000 0.520 125 S N -0.137 115.642 115.700 0.132 0.000 2.406 125 S HA -0.085 4.385 4.470 -0.001 0.000 0.228 125 S C 2.158 176.771 174.600 0.022 0.000 1.020 125 S CA 0.956 59.195 58.200 0.065 0.000 0.965 125 S CB -0.454 62.781 63.200 0.058 0.000 0.798 125 S HN 0.312 nan 8.310 nan 0.000 0.488 126 I N 2.542 123.134 120.570 0.036 0.000 2.226 126 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 126 I C 3.059 179.136 176.117 -0.067 0.000 1.100 126 I CA 1.138 62.435 61.300 -0.004 0.000 1.374 126 I CB -0.655 37.400 38.000 0.091 0.000 1.057 126 I HN 0.398 nan 8.210 nan 0.000 0.413 127 A N 0.667 123.463 122.820 -0.039 0.000 1.908 127 A HA -0.284 4.035 4.320 -0.001 0.000 0.218 127 A C 2.409 179.942 177.584 -0.084 0.000 1.181 127 A CA 2.070 54.063 52.037 -0.074 0.000 0.627 127 A CB -0.581 18.354 19.000 -0.109 0.000 0.818 127 A HN 0.377 nan 8.150 nan 0.000 0.445 128 K N -0.540 119.826 120.400 -0.058 0.000 2.097 128 K HA -0.140 4.180 4.320 -0.001 0.000 0.205 128 K C 2.306 178.855 176.600 -0.085 0.000 1.050 128 K CA 1.345 57.600 56.287 -0.054 0.000 0.938 128 K CB -0.186 32.303 32.500 -0.018 0.000 0.718 128 K HN 0.448 nan 8.250 nan 0.000 0.442 129 R N 0.642 121.075 120.500 -0.111 0.000 2.148 129 R HA -0.036 4.304 4.340 -0.001 0.000 0.223 129 R C 1.887 178.055 176.300 -0.219 0.000 1.088 129 R CA 0.840 56.843 56.100 -0.160 0.000 0.985 129 R CB -0.033 30.155 30.300 -0.186 0.000 0.880 129 R HN 0.238 nan 8.270 nan 0.000 0.451 130 L N -0.524 120.554 121.223 -0.241 0.000 2.554 130 L HA 0.174 4.514 4.340 -0.001 0.000 0.226 130 L C 1.173 177.947 176.870 -0.161 0.000 1.137 130 L CA 0.640 55.323 54.840 -0.261 0.000 0.863 130 L CB 0.245 42.133 42.059 -0.285 0.000 0.985 130 L HN 0.556 nan 8.230 nan 0.000 0.451 131 G N 0.846 109.573 108.800 -0.122 0.000 2.141 131 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.242 131 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.242 131 G C 0.176 175.035 174.900 -0.068 0.000 0.982 131 G CA -0.296 44.752 45.100 -0.086 0.000 0.662 131 G HN 0.273 nan 8.290 nan 0.000 0.527 132 I N 3.007 123.533 120.570 -0.073 0.000 2.352 132 I HA 0.262 4.432 4.170 -0.001 0.000 0.290 132 I C -1.452 174.630 176.117 -0.059 0.000 1.036 132 I CA -2.153 59.112 61.300 -0.059 0.000 1.336 132 I CB 1.120 39.086 38.000 -0.057 0.000 1.407 132 I HN -0.065 nan 8.210 nan 0.000 0.497 133 P HA 0.065 nan 4.420 nan 0.000 0.271 133 P C 0.341 177.609 177.300 -0.053 0.000 1.216 133 P CA -0.094 62.982 63.100 -0.039 0.000 0.771 133 P CB 1.077 32.761 31.700 -0.026 0.000 0.864 134 T N -1.661 112.866 114.554 -0.045 0.000 3.026 134 T HA -0.011 4.339 4.350 -0.001 0.000 0.245 134 T C 0.614 175.319 174.700 0.008 0.000 1.004 134 T CA -0.221 61.840 62.100 -0.066 0.000 1.069 134 T CB -0.525 68.291 68.868 -0.086 0.000 1.005 134 T HN 0.469 nan 8.240 nan 0.000 0.472 135 E N 3.014 123.229 120.200 0.025 0.000 3.072 135 E HA 0.108 4.458 4.350 -0.001 0.000 0.241 135 E C 1.224 177.838 176.600 0.023 0.000 0.962 135 E CA 0.905 57.323 56.400 0.031 0.000 0.955 135 E CB -0.961 28.749 29.700 0.017 0.000 0.899 135 E HN 0.833 nan 8.360 nan 0.000 0.547 136 G N 2.954 111.774 108.800 0.033 0.000 2.184 136 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.264 136 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.264 136 G C 0.025 174.939 174.900 0.023 0.000 0.975 136 G CA 0.376 45.491 45.100 0.025 0.000 0.642 136 G HN 0.563 nan 8.290 nan 0.000 0.536 137 Q N 0.300 120.114 119.800 0.023 0.000 2.245 137 Q HA 0.433 4.773 4.340 -0.001 0.000 0.256 137 Q C 0.381 176.397 176.000 0.026 0.000 0.942 137 Q CA -0.498 55.312 55.803 0.011 0.000 0.896 137 Q CB 1.287 30.015 28.738 -0.017 0.000 1.272 137 Q HN 0.429 nan 8.270 nan 0.000 0.442 138 K N 1.668 122.081 120.400 0.022 0.000 2.448 138 K HA -0.039 4.280 4.320 -0.001 0.000 0.278 138 K C 0.440 177.059 176.600 0.031 0.000 1.009 138 K CA -0.206 56.100 56.287 0.032 0.000 0.995 138 K CB 0.533 33.047 32.500 0.024 0.000 0.917 138 K HN 0.418 nan 8.250 nan 0.000 0.481 139 D N 2.924 123.363 120.400 0.065 0.000 2.149 139 D HA -0.192 4.448 4.640 -0.001 0.000 0.194 139 D C 1.251 177.570 176.300 0.030 0.000 1.001 139 D CA 1.671 55.714 54.000 0.072 0.000 0.849 139 D CB 0.187 41.056 40.800 0.115 0.000 0.939 139 D HN 0.524 nan 8.370 nan 0.000 0.449 140 E N 0.372 120.589 120.200 0.030 0.000 2.204 140 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 140 E C 1.553 178.161 176.600 0.012 0.000 0.989 140 E CA 0.790 57.203 56.400 0.023 0.000 0.824 140 E CB -0.022 29.693 29.700 0.025 0.000 0.756 140 E HN 0.298 nan 8.360 nan 0.000 0.477 141 D N 0.105 120.508 120.400 0.006 0.000 2.162 141 D HA -0.064 4.576 4.640 -0.001 0.000 0.203 141 D C 1.993 178.283 176.300 -0.015 0.000 0.967 141 D CA 0.435 54.435 54.000 -0.001 0.000 0.840 141 D CB -0.141 40.658 40.800 -0.001 0.000 0.972 141 D HN 0.197 nan 8.370 nan 0.000 0.482 142 I N 0.800 121.345 120.570 -0.042 0.000 2.226 142 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 142 I C 2.055 178.149 176.117 -0.039 0.000 1.100 142 I CA 1.245 62.499 61.300 -0.077 0.000 1.374 142 I CB 0.101 37.985 38.000 -0.194 0.000 1.057 142 I HN -0.120 nan 8.210 nan 0.000 0.413 143 A N 0.691 123.500 122.820 -0.018 0.000 1.930 143 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 143 A C 2.215 179.811 177.584 0.020 0.000 1.175 143 A CA 1.463 53.505 52.037 0.009 0.000 0.627 143 A CB -0.863 18.146 19.000 0.016 0.000 0.815 143 A HN 0.534 nan 8.150 nan 0.000 0.443 144 L N -0.334 120.899 121.223 0.016 0.000 2.012 144 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 144 L C 2.426 179.314 176.870 0.031 0.000 1.073 144 L CA 1.908 56.762 54.840 0.023 0.000 0.748 144 L CB -0.272 41.798 42.059 0.020 0.000 0.891 144 L HN 0.323 nan 8.230 nan 0.000 0.431 145 E N -0.841 119.372 120.200 0.022 0.000 2.106 145 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 145 E C 2.327 178.960 176.600 0.055 0.000 0.984 145 E CA 1.290 57.706 56.400 0.028 0.000 0.806 145 E CB -0.396 29.307 29.700 0.006 0.000 0.750 145 E HN 0.379 nan 8.360 nan 0.000 0.458 146 V N 1.554 121.505 119.914 0.062 0.000 2.358 146 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 146 V C 2.441 178.629 176.094 0.157 0.000 1.047 146 V CA 1.677 64.057 62.300 0.132 0.000 1.035 146 V CB -0.832 31.065 31.823 0.123 0.000 0.658 146 V HN 0.231 nan 8.190 nan 0.000 0.452 147 A N -0.226 122.644 122.820 0.083 0.000 1.940 147 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 147 A C 2.272 179.885 177.584 0.049 0.000 1.176 147 A CA 2.136 54.199 52.037 0.042 0.000 0.631 147 A CB -0.458 18.549 19.000 0.013 0.000 0.814 147 A HN 0.549 nan 8.150 nan 0.000 0.446 148 K N -0.378 120.062 120.400 0.067 0.000 2.032 148 K HA -0.100 4.220 4.320 -0.001 0.000 0.209 148 K C 2.332 178.995 176.600 0.105 0.000 1.048 148 K CA 1.282 57.614 56.287 0.076 0.000 0.927 148 K CB -0.362 32.178 32.500 0.067 0.000 0.712 148 K HN 0.448 nan 8.250 nan 0.000 0.441 149 A N 1.369 124.272 122.820 0.139 0.000 1.902 149 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 149 A C 2.358 180.116 177.584 0.289 0.000 1.181 149 A CA 1.916 54.075 52.037 0.204 0.000 0.623 149 A CB -0.785 18.352 19.000 0.229 0.000 0.818 149 A HN 0.357 nan 8.150 nan 0.000 0.443 150 A N -0.231 122.721 122.820 0.221 0.000 1.883 150 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 150 A C 2.171 179.812 177.584 0.095 0.000 1.186 150 A CA 1.595 53.581 52.037 -0.086 0.000 0.624 150 A CB -0.641 18.199 19.000 -0.266 0.000 0.822 150 A HN 0.479 nan 8.150 nan 0.000 0.444 151 L N -0.949 120.345 121.223 0.120 0.000 2.141 151 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 151 L C 2.991 180.006 176.870 0.242 0.000 1.094 151 L CA 0.891 55.849 54.840 0.196 0.000 0.763 151 L CB -0.426 41.656 42.059 0.038 0.000 0.908 151 L HN 0.447 nan 8.230 nan 0.000 0.437 152 A N -0.764 122.107 122.820 0.085 0.000 2.014 152 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 152 A C 1.744 179.091 177.584 -0.395 0.000 1.163 152 A CA 1.427 53.352 52.037 -0.186 0.000 0.652 152 A CB -0.348 18.632 19.000 -0.034 0.000 0.808 152 A HN 0.275 nan 8.150 nan 0.000 0.449 153 D N -1.180 119.129 120.400 -0.151 0.000 2.371 153 D HA -0.000 4.639 4.640 -0.001 0.000 0.221 153 D C 0.870 176.971 176.300 -0.333 0.000 0.986 153 D CA 0.567 54.437 54.000 -0.218 0.000 0.899 153 D CB -0.293 40.412 40.800 -0.158 0.000 0.902 153 D HN 0.531 nan 8.370 nan 0.000 0.530 154 F N -0.342 119.518 119.950 -0.150 0.000 2.615 154 F HA 0.046 4.573 4.527 -0.001 0.000 0.297 154 F C 0.992 176.827 175.800 0.058 0.000 1.124 154 F CA 0.296 58.285 58.000 -0.018 0.000 1.451 154 F CB 0.062 39.087 39.000 0.042 0.000 1.103 154 F HN 0.050 nan 8.300 nan 0.000 0.569 155 H N -3.129 116.042 119.070 0.167 0.000 2.907 155 H HA 0.488 5.044 4.556 -0.000 0.000 0.361 155 H C -0.645 174.699 175.328 0.027 0.000 1.194 155 H CA -1.554 54.565 56.048 0.119 0.000 1.152 155 H CB 0.167 30.001 29.762 0.120 0.000 1.867 155 H HN -0.107 nan 8.280 nan 0.000 0.561 156 E N 0.651 120.950 120.200 0.165 0.000 2.415 156 E HA 0.214 4.564 4.350 -0.001 0.000 0.262 156 E C -0.371 176.322 176.600 0.156 0.000 1.038 156 E CA 0.173 56.583 56.400 0.017 0.000 0.921 156 E CB 0.644 30.288 29.700 -0.094 0.000 0.950 156 E HN 0.712 nan 8.360 nan 0.000 0.438 157 K N 0.747 121.173 120.400 0.042 0.000 2.491 157 K HA 0.221 4.541 4.320 -0.001 0.000 0.275 157 K C -0.571 176.035 176.600 0.009 0.000 0.982 157 K CA -0.829 55.495 56.287 0.062 0.000 0.794 157 K CB 0.260 32.797 32.500 0.063 0.000 1.488 157 K HN 0.044 nan 8.250 nan 0.000 0.360 158 D N 0.881 121.287 120.400 0.010 0.000 2.312 158 D HA -0.035 4.605 4.640 -0.001 0.000 0.211 158 D C 0.320 176.608 176.300 -0.020 0.000 0.964 158 D CA 1.371 55.368 54.000 -0.005 0.000 0.877 158 D CB -0.023 40.777 40.800 -0.001 0.000 0.924 158 D HN 0.635 nan 8.370 nan 0.000 0.515 159 T N -1.785 112.752 114.554 -0.027 0.000 2.942 159 T HA 0.539 4.889 4.350 -0.001 0.000 0.289 159 T C -2.665 172.004 174.700 -0.051 0.000 1.044 159 T CA -1.825 60.250 62.100 -0.041 0.000 1.023 159 T CB 2.787 71.626 68.868 -0.048 0.000 1.123 159 T HN -0.250 nan 8.240 nan 0.000 0.512 160 P HA 0.257 nan 4.420 nan 0.000 0.297 160 P C -0.316 176.944 177.300 -0.065 0.000 1.303 160 P CA -0.557 62.508 63.100 -0.058 0.000 0.753 160 P CB 0.364 32.033 31.700 -0.052 0.000 1.281 161 V N 1.655 121.531 119.914 -0.063 0.000 2.425 161 V HA -0.047 4.073 4.120 -0.001 0.000 0.276 161 V C 2.006 178.065 176.094 -0.059 0.000 1.017 161 V CA 0.449 62.714 62.300 -0.059 0.000 1.062 161 V CB -0.671 31.112 31.823 -0.068 0.000 0.997 161 V HN 0.391 nan 8.190 nan 0.000 0.476 162 L N 4.297 125.489 121.223 -0.052 0.000 2.217 162 L HA -0.049 4.291 4.340 -0.001 0.000 0.211 162 L C 1.795 178.518 176.870 -0.245 0.000 1.107 162 L CA 1.202 55.946 54.840 -0.159 0.000 0.783 162 L CB -0.124 41.803 42.059 -0.220 0.000 0.919 162 L HN 0.682 nan 8.230 nan 0.000 0.442 163 W N -0.310 120.858 121.300 -0.220 0.000 3.204 163 W HA 0.049 4.709 4.660 -0.001 0.000 0.249 163 W C 1.458 177.787 176.519 -0.318 0.000 1.322 163 W CA 0.262 57.437 57.345 -0.283 0.000 1.593 163 W CB 0.333 29.663 29.460 -0.217 0.000 1.122 163 W HN 0.037 nan 8.180 nan 0.000 0.710 164 V N -0.558 119.289 119.914 -0.112 0.000 2.721 164 V HA -0.161 3.958 4.120 -0.001 0.000 0.236 164 V C 2.420 178.405 176.094 -0.183 0.000 1.116 164 V CA 2.194 64.401 62.300 -0.155 0.000 1.148 164 V CB -0.518 31.243 31.823 -0.103 0.000 0.886 164 V HN 0.030 nan 8.190 nan 0.000 0.490 165 T N -0.921 113.538 114.554 -0.160 0.000 2.995 165 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 165 T C 1.551 176.140 174.700 -0.186 0.000 1.091 165 T CA 1.793 63.805 62.100 -0.146 0.000 1.128 165 T CB -0.537 68.261 68.868 -0.116 0.000 0.891 165 T HN 0.576 nan 8.240 nan 0.000 0.492 166 T N -0.370 114.024 114.554 -0.267 0.000 3.086 166 T HA 0.263 4.612 4.350 -0.001 0.000 0.250 166 T C 1.577 176.081 174.700 -0.326 0.000 1.074 166 T CA 0.282 62.208 62.100 -0.289 0.000 0.988 166 T CB 0.038 68.691 68.868 -0.359 0.000 0.988 166 T HN 0.471 nan 8.240 nan 0.000 0.530 167 V N -1.756 117.935 119.914 -0.372 0.000 3.528 167 V HA 0.549 4.669 4.120 -0.001 0.000 0.294 167 V C 0.208 176.181 176.094 -0.202 0.000 1.404 167 V CA -0.488 61.567 62.300 -0.409 0.000 1.065 167 V CB -0.436 30.853 31.823 -0.891 0.000 0.904 167 V HN 0.353 nan 8.190 nan 0.000 0.435 168 L N 1.368 122.496 121.223 -0.159 0.000 2.334 168 L HA 0.646 4.986 4.340 -0.001 0.000 0.273 168 L C -2.497 174.331 176.870 -0.070 0.000 1.013 168 L CA -2.095 52.692 54.840 -0.088 0.000 0.816 168 L CB 1.996 44.009 42.059 -0.076 0.000 1.278 168 L HN -0.025 nan 8.230 nan 0.000 0.431 169 P HA 0.149 nan 4.420 nan 0.000 0.271 169 P C -2.207 175.070 177.300 -0.038 0.000 1.218 169 P CA -1.261 61.818 63.100 -0.036 0.000 0.780 169 P CB 0.166 31.854 31.700 -0.019 0.000 0.901 170 P HA -0.265 nan 4.420 nan 0.000 0.216 170 P C 1.687 178.972 177.300 -0.025 0.000 1.154 170 P CA 2.127 65.205 63.100 -0.036 0.000 0.865 170 P CB -0.240 31.439 31.700 -0.034 0.000 0.789 171 S N -0.632 115.058 115.700 -0.017 0.000 2.382 171 S HA -0.216 4.253 4.470 -0.001 0.000 0.228 171 S C 2.167 176.765 174.600 -0.003 0.000 1.027 171 S CA 1.293 59.488 58.200 -0.008 0.000 0.991 171 S CB -0.812 62.386 63.200 -0.004 0.000 0.823 171 S HN -0.049 nan 8.310 nan 0.000 0.469 172 R N 1.502 122.000 120.500 -0.005 0.000 2.075 172 R HA 0.116 4.456 4.340 -0.001 0.000 0.232 172 R C 2.105 178.405 176.300 0.000 0.000 1.126 172 R CA 1.774 57.876 56.100 0.003 0.000 0.963 172 R CB -1.474 28.825 30.300 -0.002 0.000 0.858 172 R HN 0.362 nan 8.270 nan 0.000 0.435 173 V N 1.545 121.449 119.914 -0.017 0.000 2.343 173 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 173 V C 2.436 178.524 176.094 -0.011 0.000 1.051 173 V CA 2.266 64.552 62.300 -0.022 0.000 1.036 173 V CB -0.609 31.188 31.823 -0.043 0.000 0.654 173 V HN 0.462 nan 8.190 nan 0.000 0.451 174 K N 0.042 120.435 120.400 -0.012 0.000 2.057 174 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 174 K C 2.055 178.653 176.600 -0.002 0.000 1.049 174 K CA 1.646 57.925 56.287 -0.013 0.000 0.931 174 K CB -0.248 32.243 32.500 -0.016 0.000 0.714 174 K HN 0.280 nan 8.250 nan 0.000 0.440 175 V N 1.727 121.653 119.914 0.019 0.000 2.295 175 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 175 V C 2.315 178.475 176.094 0.111 0.000 1.049 175 V CA 1.750 64.086 62.300 0.060 0.000 1.024 175 V CB -0.325 31.544 31.823 0.076 0.000 0.648 175 V HN 0.337 nan 8.190 nan 0.000 0.447 176 L N -0.514 120.758 121.223 0.081 0.000 2.072 176 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 176 L C 2.593 179.508 176.870 0.075 0.000 1.079 176 L CA 1.480 56.377 54.840 0.096 0.000 0.752 176 L CB -0.643 41.447 42.059 0.052 0.000 0.906 176 L HN 0.282 nan 8.230 nan 0.000 0.436 177 S N 0.348 116.065 115.700 0.027 0.000 2.383 177 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 177 S C 2.218 176.809 174.600 -0.015 0.000 1.030 177 S CA 1.208 59.411 58.200 0.006 0.000 1.002 177 S CB -0.379 62.813 63.200 -0.013 0.000 0.829 177 S HN 0.494 nan 8.310 nan 0.000 0.467 178 A N 1.264 124.053 122.820 -0.052 0.000 2.019 178 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 178 A C 1.541 178.972 177.584 -0.255 0.000 1.164 178 A CA 1.232 53.171 52.037 -0.164 0.000 0.644 178 A CB -0.566 18.292 19.000 -0.237 0.000 0.805 178 A HN 0.589 nan 8.150 nan 0.000 0.449 179 H N -1.362 117.713 119.070 0.009 0.000 2.520 179 H HA 0.278 4.834 4.556 -0.001 0.000 0.284 179 H C 1.444 176.782 175.328 0.016 0.000 1.037 179 H CA 0.386 56.442 56.048 0.014 0.000 1.168 179 H CB -0.088 29.685 29.762 0.017 0.000 1.497 179 H HN 0.599 nan 8.280 nan 0.000 0.547 180 G N 1.662 110.513 108.800 0.085 0.000 2.221 180 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.265 180 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.265 180 G C 0.869 175.814 174.900 0.075 0.000 1.041 180 G CA 0.349 45.487 45.100 0.064 0.000 0.807 180 G HN 0.445 nan 8.290 nan 0.000 0.502 181 L N -0.294 120.979 121.223 0.084 0.000 2.607 181 L HA 0.280 4.620 4.340 -0.001 0.000 0.228 181 L C 0.969 177.870 176.870 0.051 0.000 1.123 181 L CA -0.372 54.513 54.840 0.073 0.000 0.890 181 L CB -0.010 42.099 42.059 0.083 0.000 1.103 181 L HN 0.186 nan 8.230 nan 0.000 0.468 182 I N 2.298 122.889 120.570 0.035 0.000 2.452 182 I HA 0.157 4.326 4.170 -0.001 0.000 0.287 182 I C -1.928 174.201 176.117 0.020 0.000 1.079 182 I CA -2.332 58.977 61.300 0.014 0.000 1.387 182 I CB 0.136 38.133 38.000 -0.005 0.000 1.404 182 I HN -0.200 nan 8.210 nan 0.000 0.522 183 P HA 0.108 nan 4.420 nan 0.000 0.268 183 P C 0.353 177.660 177.300 0.011 0.000 1.205 183 P CA -0.166 62.955 63.100 0.035 0.000 0.771 183 P CB 0.839 32.551 31.700 0.020 0.000 0.858 184 A N 2.724 125.562 122.820 0.029 0.000 2.021 184 A HA 0.410 4.729 4.320 -0.001 0.000 0.216 184 A C 1.019 178.554 177.584 -0.081 0.000 1.163 184 A CA 1.427 53.423 52.037 -0.068 0.000 0.676 184 A CB -0.633 18.242 19.000 -0.209 0.000 0.818 184 A HN 0.674 nan 8.150 nan 0.000 0.453 185 G N -1.932 106.874 108.800 0.010 0.000 2.596 185 G HA2 0.428 4.388 3.960 -0.001 0.000 0.296 185 G HA3 0.428 4.388 3.960 -0.001 0.000 0.296 185 G C 0.203 175.144 174.900 0.069 0.000 1.513 185 G CA -0.508 44.602 45.100 0.016 0.000 0.851 185 G HN -0.025 nan 8.290 nan 0.000 0.548 186 I N 0.390 120.929 120.570 -0.052 0.000 2.163 186 I HA -0.073 4.097 4.170 -0.001 0.000 0.240 186 I C 2.033 178.221 176.117 0.118 0.000 1.081 186 I CA 1.054 62.326 61.300 -0.046 0.000 1.353 186 I CB 0.078 37.887 38.000 -0.319 0.000 1.054 186 I HN 0.400 nan 8.210 nan 0.000 0.407 187 D N -0.641 119.898 120.400 0.232 0.000 2.224 187 D HA -0.190 4.450 4.640 -0.001 0.000 0.205 187 D C 1.908 178.317 176.300 0.181 0.000 0.965 187 D CA 1.056 55.195 54.000 0.231 0.000 0.852 187 D CB -0.336 40.627 40.800 0.271 0.000 0.947 187 D HN 0.422 nan 8.370 nan 0.000 0.494 188 H N 1.298 120.438 119.070 0.116 0.000 2.319 188 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 188 H C 1.711 177.086 175.328 0.078 0.000 1.092 188 H CA 1.811 57.915 56.048 0.093 0.000 1.302 188 H CB 0.332 30.147 29.762 0.087 0.000 1.373 188 H HN -0.077 nan 8.280 nan 0.000 0.497 189 E N 0.342 120.596 120.200 0.089 0.000 2.106 189 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 189 E C 2.601 179.203 176.600 0.003 0.000 0.984 189 E CA 1.046 57.463 56.400 0.029 0.000 0.806 189 E CB -0.185 29.571 29.700 0.093 0.000 0.750 189 E HN 0.612 nan 8.360 nan 0.000 0.458 190 I N 1.221 121.814 120.570 0.038 0.000 2.163 190 I HA -0.278 3.892 4.170 -0.001 0.000 0.243 190 I C 2.488 178.610 176.117 0.009 0.000 1.085 190 I CA 1.302 62.624 61.300 0.037 0.000 1.347 190 I CB -0.360 37.678 38.000 0.063 0.000 1.044 190 I HN 0.005 nan 8.210 nan 0.000 0.408 191 A N 0.034 122.848 122.820 -0.009 0.000 1.898 191 A HA -0.255 4.064 4.320 -0.001 0.000 0.216 191 A C 2.321 179.893 177.584 -0.020 0.000 1.181 191 A CA 1.825 53.851 52.037 -0.018 0.000 0.620 191 A CB -0.633 18.351 19.000 -0.027 0.000 0.819 191 A HN 0.499 nan 8.150 nan 0.000 0.442 192 E N -0.323 119.820 120.200 -0.095 0.000 2.153 192 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 192 E C 1.760 178.358 176.600 -0.003 0.000 0.988 192 E CA 0.998 57.365 56.400 -0.055 0.000 0.811 192 E CB -0.103 29.487 29.700 -0.184 0.000 0.746 192 E HN 0.518 nan 8.360 nan 0.000 0.466 193 I N 0.915 121.482 120.570 -0.004 0.000 2.226 193 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 193 I C 2.305 178.436 176.117 0.023 0.000 1.100 193 I CA 1.073 62.380 61.300 0.012 0.000 1.374 193 I CB -0.781 37.233 38.000 0.023 0.000 1.057 193 I HN 0.320 nan 8.210 nan 0.000 0.413 194 M N -0.794 118.822 119.600 0.026 0.000 2.229 194 M HA -0.186 4.293 4.480 -0.001 0.000 0.264 194 M C 2.282 178.623 176.300 0.069 0.000 1.063 194 M CA 1.443 56.754 55.300 0.017 0.000 1.114 194 M CB -1.662 30.936 32.600 -0.003 0.000 1.387 194 M HN 0.388 nan 8.290 nan 0.000 0.420 195 H N 1.150 120.201 119.070 -0.031 0.000 2.276 195 H HA -0.152 4.403 4.556 -0.001 0.000 0.301 195 H C 2.292 177.618 175.328 -0.003 0.000 1.073 195 H CA 1.869 57.904 56.048 -0.021 0.000 1.311 195 H CB 0.057 29.802 29.762 -0.029 0.000 1.379 195 H HN 0.363 nan 8.280 nan 0.000 0.494 196 R N 0.824 121.251 120.500 -0.121 0.000 2.193 196 R HA -0.075 4.264 4.340 -0.001 0.000 0.229 196 R C 1.717 177.989 176.300 -0.047 0.000 1.110 196 R CA 1.784 57.772 56.100 -0.188 0.000 0.988 196 R CB -0.567 29.650 30.300 -0.138 0.000 0.871 196 R HN 0.390 nan 8.270 nan 0.000 0.458 197 T N -1.484 113.085 114.554 0.026 0.000 3.086 197 T HA 0.090 4.440 4.350 -0.001 0.000 0.250 197 T C 0.947 175.761 174.700 0.190 0.000 1.074 197 T CA -0.014 62.148 62.100 0.104 0.000 0.988 197 T CB 0.083 69.034 68.868 0.140 0.000 0.988 197 T HN 0.343 nan 8.240 nan 0.000 0.530 198 S N 1.703 117.469 115.700 0.110 0.000 2.617 198 S HA 0.478 4.948 4.470 -0.001 0.000 0.259 198 S C 0.490 175.162 174.600 0.121 0.000 1.301 198 S CA -0.991 57.278 58.200 0.115 0.000 0.984 198 S CB 0.266 63.515 63.200 0.082 0.000 0.954 198 S HN 0.346 nan 8.310 nan 0.000 0.572 199 M N 1.223 120.887 119.600 0.107 0.000 2.249 199 M HA 0.268 4.748 4.480 -0.001 0.000 0.340 199 M C 1.210 177.541 176.300 0.052 0.000 1.166 199 M CA 1.744 57.089 55.300 0.076 0.000 1.115 199 M CB -0.545 32.093 32.600 0.062 0.000 1.606 199 M HN 1.483 nan 8.290 nan 0.000 0.448 200 G N 3.803 112.621 108.800 0.031 0.000 2.283 200 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.280 200 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.280 200 G C 0.248 175.158 174.900 0.018 0.000 1.029 200 G CA 0.333 45.446 45.100 0.020 0.000 0.840 200 G HN 0.823 nan 8.290 nan 0.000 0.505 201 C N -1.303 118.002 119.300 0.009 0.000 2.951 201 C HA 0.597 5.057 4.460 -0.001 0.000 0.079 201 C C 1.015 175.983 174.990 -0.037 0.000 2.346 201 C CA 0.041 59.044 59.018 -0.024 0.000 1.858 201 C CB 0.195 27.895 27.740 -0.065 0.000 2.913 201 C HN 0.583 nan 8.230 nan 0.000 0.359 202 D N 0.576 120.940 120.400 -0.059 0.000 2.458 202 D HA 0.430 5.069 4.640 -0.001 0.000 0.243 202 D C -0.192 176.094 176.300 -0.023 0.000 1.146 202 D CA 0.520 54.494 54.000 -0.043 0.000 0.877 202 D CB 0.582 41.351 40.800 -0.052 0.000 1.176 202 D HN 0.616 nan 8.370 nan 0.000 0.461 203 A N 3.525 126.334 122.820 -0.018 0.000 3.292 203 A HA 0.283 4.603 4.320 -0.001 0.000 0.231 203 A C -0.627 176.950 177.584 -0.012 0.000 0.952 203 A CA -0.671 51.357 52.037 -0.016 0.000 1.044 203 A CB 0.154 19.145 19.000 -0.015 0.000 1.236 203 A HN 0.480 nan 8.150 nan 0.000 0.525 204 D N -0.255 120.139 120.400 -0.010 0.000 2.855 204 D HA 0.630 5.270 4.640 -0.001 0.000 0.241 204 D C 0.992 177.290 176.300 -0.003 0.000 1.277 204 D CA 0.327 54.324 54.000 -0.005 0.000 0.918 204 D CB 1.796 42.595 40.800 -0.002 0.000 1.462 204 D HN 0.157 nan 8.370 nan 0.000 0.559 205 A N 3.271 126.089 122.820 -0.003 0.000 1.877 205 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 205 A C 1.892 179.480 177.584 0.006 0.000 1.186 205 A CA 1.898 53.934 52.037 -0.001 0.000 0.620 205 A CB -0.626 18.372 19.000 -0.004 0.000 0.822 205 A HN 0.628 nan 8.150 nan 0.000 0.443 206 Q N 0.304 120.108 119.800 0.008 0.000 2.061 206 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 206 Q C 1.903 177.912 176.000 0.015 0.000 0.984 206 Q CA 2.353 58.163 55.803 0.013 0.000 0.846 206 Q CB -0.516 28.230 28.738 0.013 0.000 0.902 206 Q HN 0.647 nan 8.270 nan 0.000 0.421 207 N N -0.686 118.022 118.700 0.013 0.000 2.120 207 N HA -0.113 4.627 4.740 -0.001 0.000 0.188 207 N C 1.533 177.051 175.510 0.013 0.000 1.024 207 N CA 1.365 54.424 53.050 0.014 0.000 0.852 207 N CB -0.238 38.253 38.487 0.007 0.000 1.003 207 N HN 0.340 nan 8.380 nan 0.000 0.424 208 L N -0.089 121.139 121.223 0.009 0.000 2.017 208 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 208 L C 2.152 179.035 176.870 0.023 0.000 1.073 208 L CA 0.905 55.751 54.840 0.011 0.000 0.745 208 L CB -0.330 41.733 42.059 0.007 0.000 0.894 208 L HN 0.244 nan 8.230 nan 0.000 0.432 209 L N -0.968 120.270 121.223 0.025 0.000 2.156 209 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 209 L C 2.432 179.327 176.870 0.041 0.000 1.095 209 L CA 0.777 55.639 54.840 0.037 0.000 0.770 209 L CB -0.332 41.748 42.059 0.036 0.000 0.914 209 L HN 0.274 nan 8.230 nan 0.000 0.439 210 L N -0.386 120.856 121.223 0.033 0.000 2.017 210 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 210 L C 2.707 179.605 176.870 0.046 0.000 1.073 210 L CA 1.489 56.350 54.840 0.036 0.000 0.745 210 L CB -1.253 40.828 42.059 0.037 0.000 0.894 210 L HN 0.316 nan 8.230 nan 0.000 0.432 211 G N -0.208 108.617 108.800 0.041 0.000 2.469 211 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.219 211 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.219 211 G C 1.571 176.503 174.900 0.054 0.000 1.150 211 G CA 0.862 45.988 45.100 0.042 0.000 0.763 211 G HN 0.505 nan 8.290 nan 0.000 0.561 212 G N 0.821 109.655 108.800 0.056 0.000 2.418 212 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.217 212 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.217 212 G C 1.808 176.764 174.900 0.092 0.000 1.158 212 G CA 0.759 45.903 45.100 0.073 0.000 0.771 212 G HN 0.426 nan 8.290 nan 0.000 0.545 213 L N -0.082 121.193 121.223 0.086 0.000 2.012 213 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 213 L C 2.923 179.851 176.870 0.096 0.000 1.073 213 L CA 1.723 56.619 54.840 0.093 0.000 0.748 213 L CB -0.488 41.610 42.059 0.065 0.000 0.891 213 L HN 0.233 nan 8.230 nan 0.000 0.431 214 R N -0.361 120.187 120.500 0.080 0.000 2.081 214 R HA -0.205 4.135 4.340 -0.001 0.000 0.235 214 R C 2.534 178.884 176.300 0.083 0.000 1.131 214 R CA 1.977 58.122 56.100 0.075 0.000 0.960 214 R CB -0.620 29.723 30.300 0.071 0.000 0.856 214 R HN 0.408 nan 8.270 nan 0.000 0.436 215 C N 0.890 120.242 119.300 0.088 0.000 2.422 215 C HA -0.059 4.400 4.460 -0.001 0.000 0.279 215 C C 3.060 178.128 174.990 0.130 0.000 1.305 215 C CA 1.344 60.419 59.018 0.095 0.000 1.757 215 C CB -0.988 26.802 27.740 0.085 0.000 1.962 215 C HN 0.800 nan 8.230 nan 0.000 0.499 216 S N 0.533 116.330 115.700 0.162 0.000 2.382 216 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 216 S C 1.738 176.488 174.600 0.251 0.000 1.027 216 S CA 1.759 60.115 58.200 0.261 0.000 0.991 216 S CB -0.790 62.580 63.200 0.283 0.000 0.823 216 S HN 0.689 nan 8.310 nan 0.000 0.469 217 L N 1.134 122.438 121.223 0.136 0.000 2.201 217 L HA 0.049 4.389 4.340 -0.001 0.000 0.212 217 L C 3.144 180.001 176.870 -0.022 0.000 1.105 217 L CA 0.877 55.730 54.840 0.022 0.000 0.775 217 L CB -0.803 41.262 42.059 0.010 0.000 0.913 217 L HN 0.482 nan 8.230 nan 0.000 0.440 218 A N 0.186 123.023 122.820 0.028 0.000 1.933 218 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 218 A C 1.959 179.554 177.584 0.019 0.000 1.175 218 A CA 2.101 54.141 52.037 0.004 0.000 0.628 218 A CB -0.573 18.447 19.000 0.034 0.000 0.814 218 A HN 0.460 nan 8.150 nan 0.000 0.444 219 D N -0.729 119.740 120.400 0.113 0.000 2.117 219 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 219 D C 1.789 178.113 176.300 0.038 0.000 0.987 219 D CA 1.284 55.405 54.000 0.203 0.000 0.829 219 D CB -0.144 40.908 40.800 0.421 0.000 0.961 219 D HN 0.253 nan 8.370 nan 0.000 0.460 220 L N 0.586 121.650 121.223 -0.265 0.000 2.042 220 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 220 L C 2.148 178.825 176.870 -0.323 0.000 1.076 220 L CA 2.176 56.554 54.840 -0.770 0.000 0.749 220 L CB -1.110 40.242 42.059 -1.179 0.000 0.893 220 L HN 0.107 nan 8.230 nan 0.000 0.432 221 A N -0.324 122.387 122.820 -0.183 0.000 1.892 221 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 221 A C 2.376 179.894 177.584 -0.110 0.000 1.188 221 A CA 1.883 53.872 52.037 -0.081 0.000 0.631 221 A CB -1.712 17.228 19.000 -0.101 0.000 0.822 221 A HN 0.552 nan 8.150 nan 0.000 0.447 222 G N -1.163 107.570 108.800 -0.112 0.000 2.422 222 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 222 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 222 G C 1.581 176.452 174.900 -0.049 0.000 1.146 222 G CA 1.287 46.347 45.100 -0.065 0.000 0.769 222 G HN 0.539 nan 8.290 nan 0.000 0.547 223 C N -0.927 118.320 119.300 -0.089 0.000 2.432 223 C HA -0.038 4.421 4.460 -0.001 0.000 0.277 223 C C 2.375 177.330 174.990 -0.060 0.000 1.249 223 C CA 0.737 59.664 59.018 -0.151 0.000 1.725 223 C CB -1.089 26.540 27.740 -0.186 0.000 2.028 223 C HN 0.523 nan 8.230 nan 0.000 0.477 224 Y N 0.746 120.974 120.300 -0.120 0.000 2.181 224 Y HA -0.198 4.352 4.550 -0.001 0.000 0.288 224 Y C 2.629 178.543 175.900 0.023 0.000 1.146 224 Y CA 1.870 59.975 58.100 0.010 0.000 1.164 224 Y CB -0.515 38.017 38.460 0.119 0.000 0.982 224 Y HN 0.286 nan 8.280 nan 0.000 0.515 225 M N -0.892 118.670 119.600 -0.064 0.000 2.117 225 M HA -0.131 4.349 4.480 -0.001 0.000 0.262 225 M C 2.239 178.445 176.300 -0.158 0.000 1.065 225 M CA 2.126 57.087 55.300 -0.565 0.000 1.114 225 M CB -0.621 31.385 32.600 -0.990 0.000 1.361 225 M HN 0.341 nan 8.290 nan 0.000 0.408 226 G N -0.615 108.164 108.800 -0.035 0.000 2.440 226 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.218 226 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.218 226 G C 1.315 176.285 174.900 0.118 0.000 1.154 226 G CA 1.476 46.643 45.100 0.113 0.000 0.767 226 G HN 0.472 nan 8.290 nan 0.000 0.552 227 T N 0.811 115.396 114.554 0.052 0.000 2.708 227 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 227 T C 2.057 176.805 174.700 0.081 0.000 1.037 227 T CA 1.413 63.536 62.100 0.039 0.000 1.146 227 T CB -0.307 68.512 68.868 -0.081 0.000 0.865 227 T HN 0.133 nan 8.240 nan 0.000 0.435 228 D N 1.034 121.517 120.400 0.139 0.000 2.104 228 D HA -0.043 4.597 4.640 -0.001 0.000 0.194 228 D C 2.120 178.511 176.300 0.152 0.000 0.994 228 D CA 0.922 55.051 54.000 0.216 0.000 0.830 228 D CB -0.349 40.731 40.800 0.466 0.000 0.959 228 D HN 0.301 nan 8.370 nan 0.000 0.452 229 L N 0.247 121.537 121.223 0.111 0.000 2.072 229 L HA -0.069 4.271 4.340 -0.001 0.000 0.205 229 L C 2.505 179.401 176.870 0.044 0.000 1.079 229 L CA 0.974 55.849 54.840 0.059 0.000 0.752 229 L CB -0.357 41.712 42.059 0.018 0.000 0.906 229 L HN -0.033 nan 8.230 nan 0.000 0.436 230 A N -0.184 122.712 122.820 0.126 0.000 1.930 230 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 230 A C 1.877 179.569 177.584 0.180 0.000 1.175 230 A CA 1.849 54.031 52.037 0.242 0.000 0.627 230 A CB -0.449 18.745 19.000 0.323 0.000 0.815 230 A HN 0.320 nan 8.150 nan 0.000 0.443 231 D N 0.078 120.548 120.400 0.117 0.000 2.117 231 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 231 D C 1.805 178.130 176.300 0.042 0.000 0.987 231 D CA 1.048 55.098 54.000 0.083 0.000 0.829 231 D CB -0.327 40.515 40.800 0.069 0.000 0.961 231 D HN 0.515 nan 8.370 nan 0.000 0.460 232 I N 0.243 120.826 120.570 0.022 0.000 2.208 232 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 232 I C 2.253 178.313 176.117 -0.094 0.000 1.097 232 I CA 0.836 62.132 61.300 -0.007 0.000 1.363 232 I CB -0.076 37.930 38.000 0.011 0.000 1.051 232 I HN -0.004 nan 8.210 nan 0.000 0.413 233 L N -1.095 119.973 121.223 -0.258 0.000 2.179 233 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 233 L C 1.492 178.008 176.870 -0.590 0.000 1.096 233 L CA 1.092 55.584 54.840 -0.580 0.000 0.779 233 L CB -0.099 41.274 42.059 -1.143 0.000 0.922 233 L HN 0.161 nan 8.230 nan 0.000 0.443 234 F N -0.834 119.171 119.950 0.091 0.000 2.746 234 F HA 0.477 5.004 4.527 -0.001 0.000 0.320 234 F C 0.957 176.784 175.800 0.044 0.000 1.097 234 F CA -0.183 57.870 58.000 0.088 0.000 1.195 234 F CB 0.321 39.376 39.000 0.092 0.000 1.056 234 F HN -0.049 nan 8.300 nan 0.000 0.562 235 G N 0.804 109.683 108.800 0.132 0.000 2.911 235 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 235 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 235 G C -0.439 174.486 174.900 0.042 0.000 1.136 235 G CA -1.077 44.066 45.100 0.071 0.000 0.764 235 G HN -0.023 nan 8.290 nan 0.000 0.626 236 T N 4.613 119.181 114.554 0.023 0.000 2.834 236 T HA 0.462 4.812 4.350 -0.001 0.000 0.298 236 T C -1.575 173.108 174.700 -0.029 0.000 0.966 236 T CA -0.034 62.070 62.100 0.006 0.000 1.141 236 T CB 0.922 69.797 68.868 0.013 0.000 0.905 236 T HN 0.510 nan 8.240 nan 0.000 0.535 237 P HA 0.392 nan 4.420 nan 0.000 0.267 237 P C -1.049 176.190 177.300 -0.103 0.000 1.200 237 P CA -0.232 62.806 63.100 -0.103 0.000 0.772 237 P CB 0.496 32.123 31.700 -0.122 0.000 0.855 238 A N 3.494 126.231 122.820 -0.139 0.000 2.469 238 A HA 0.710 5.030 4.320 -0.001 0.000 0.299 238 A C -2.771 174.662 177.584 -0.251 0.000 1.098 238 A CA -2.035 49.910 52.037 -0.155 0.000 0.737 238 A CB 0.469 19.412 19.000 -0.095 0.000 1.312 238 A HN 0.307 nan 8.150 nan 0.000 0.414 239 P HA 0.242 nan 4.420 nan 0.000 0.264 239 P C -0.481 176.663 177.300 -0.261 0.000 1.183 239 P CA 0.442 63.267 63.100 -0.459 0.000 0.763 239 P CB 0.439 31.914 31.700 -0.375 0.000 0.807 240 V N 1.123 120.886 119.914 -0.252 0.000 3.114 240 V HA 0.724 4.844 4.120 -0.001 0.000 0.308 240 V C -0.880 175.159 176.094 -0.091 0.000 1.168 240 V CA -1.000 61.217 62.300 -0.139 0.000 1.015 240 V CB 2.396 34.142 31.823 -0.127 0.000 1.050 240 V HN 0.138 nan 8.190 nan 0.000 0.433 241 V N 1.611 121.497 119.914 -0.045 0.000 2.540 241 V HA 0.882 5.001 4.120 -0.001 0.000 0.302 241 V C 0.151 176.241 176.094 -0.006 0.000 1.035 241 V CA 0.509 62.801 62.300 -0.012 0.000 0.873 241 V CB 1.155 32.978 31.823 0.000 0.000 0.992 241 V HN 1.368 nan 8.190 nan 0.000 0.428 242 T N 3.099 117.658 114.554 0.009 0.000 2.606 242 T HA 0.566 4.916 4.350 -0.001 0.000 0.280 242 T C -1.524 173.189 174.700 0.022 0.000 1.074 242 T CA -0.326 61.781 62.100 0.011 0.000 1.140 242 T CB 1.895 70.767 68.868 0.006 0.000 1.631 242 T HN 0.745 nan 8.240 nan 0.000 0.464 243 E N -0.019 120.194 120.200 0.021 0.000 2.433 243 E HA 0.655 5.005 4.350 -0.001 0.000 0.273 243 E C -1.499 175.120 176.600 0.030 0.000 0.950 243 E CA -0.968 55.447 56.400 0.024 0.000 0.796 243 E CB 2.209 31.915 29.700 0.011 0.000 1.330 243 E HN 0.722 nan 8.360 nan 0.000 0.455 244 S N 1.037 116.755 115.700 0.030 0.000 2.618 244 S HA 0.708 5.177 4.470 -0.001 0.000 0.277 244 S C -0.496 174.111 174.600 0.012 0.000 1.138 244 S CA -0.518 57.703 58.200 0.036 0.000 0.844 244 S CB 1.875 65.125 63.200 0.083 0.000 1.127 244 S HN 0.861 nan 8.310 nan 0.000 0.474 245 N N -0.779 117.923 118.700 0.003 0.000 6.512 245 N HA -0.150 4.589 4.740 -0.001 0.000 0.413 245 N C 0.163 175.659 175.510 -0.024 0.000 1.124 245 N CA 0.122 53.163 53.050 -0.014 0.000 1.789 245 N CB -0.943 37.528 38.487 -0.027 0.000 0.749 245 N HN 0.662 nan 8.380 nan 0.000 0.431 246 L N 0.411 121.621 121.223 -0.023 0.000 2.191 246 L HA -0.033 4.306 4.340 -0.001 0.000 0.212 246 L C 2.382 179.242 176.870 -0.016 0.000 1.103 246 L CA 1.636 56.463 54.840 -0.021 0.000 0.769 246 L CB -0.678 41.374 42.059 -0.012 0.000 0.908 246 L HN 0.767 nan 8.230 nan 0.000 0.438 247 G N 0.108 108.900 108.800 -0.013 0.000 2.586 247 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.215 247 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.215 247 G C 1.514 176.408 174.900 -0.009 0.000 1.128 247 G CA 0.837 45.932 45.100 -0.009 0.000 0.774 247 G HN 0.404 nan 8.290 nan 0.000 0.543 248 V N -1.585 118.320 119.914 -0.014 0.000 3.461 248 V HA 0.351 4.470 4.120 -0.001 0.000 0.267 248 V C 1.151 177.235 176.094 -0.017 0.000 1.186 248 V CA -0.100 62.191 62.300 -0.015 0.000 1.154 248 V CB -0.560 31.252 31.823 -0.019 0.000 0.802 248 V HN 0.160 nan 8.190 nan 0.000 0.474 249 L N 1.400 122.614 121.223 -0.014 0.000 2.439 249 L HA 0.377 4.717 4.340 -0.001 0.000 0.269 249 L C 0.286 177.156 176.870 0.001 0.000 1.179 249 L CA 0.290 55.125 54.840 -0.008 0.000 0.828 249 L CB 0.445 42.502 42.059 -0.003 0.000 1.106 249 L HN 0.168 nan 8.230 nan 0.000 0.467 250 K N 1.346 121.750 120.400 0.008 0.000 2.545 250 K HA 0.382 4.702 4.320 -0.001 0.000 0.252 250 K C 0.412 177.038 176.600 0.044 0.000 0.948 250 K CA -0.451 55.846 56.287 0.015 0.000 0.827 250 K CB 1.915 34.414 32.500 -0.001 0.000 1.128 250 K HN 0.657 nan 8.250 nan 0.000 0.429 251 A N 2.392 125.244 122.820 0.053 0.000 1.986 251 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 251 A C 1.177 178.856 177.584 0.159 0.000 1.171 251 A CA 2.113 54.202 52.037 0.086 0.000 0.640 251 A CB -0.395 18.639 19.000 0.057 0.000 0.811 251 A HN 0.846 nan 8.150 nan 0.000 0.451 252 D N -1.100 119.373 120.400 0.122 0.000 2.342 252 D HA 0.487 5.127 4.640 -0.001 0.000 0.221 252 D C 0.326 176.666 176.300 0.066 0.000 1.101 252 D CA 0.493 54.598 54.000 0.175 0.000 0.837 252 D CB -0.266 40.594 40.800 0.100 0.000 0.938 252 D HN 0.400 nan 8.370 nan 0.000 0.508 253 A N -0.108 122.711 122.820 -0.001 0.000 2.322 253 A HA 0.605 4.924 4.320 -0.001 0.000 0.327 253 A C -0.315 177.089 177.584 -0.301 0.000 1.134 253 A CA -0.846 51.069 52.037 -0.204 0.000 0.831 253 A CB 1.541 20.475 19.000 -0.110 0.000 1.288 253 A HN 0.037 nan 8.150 nan 0.000 0.472 254 V N 3.098 122.740 119.914 -0.455 0.000 2.397 254 V HA 0.072 4.191 4.120 -0.001 0.000 0.262 254 V C -0.145 175.898 176.094 -0.086 0.000 1.047 254 V CA -0.304 61.842 62.300 -0.257 0.000 1.003 254 V CB -0.481 31.183 31.823 -0.264 0.000 1.037 254 V HN 0.702 nan 8.190 nan 0.000 0.480 255 N N 4.412 123.114 118.700 0.004 0.000 2.426 255 N HA 0.372 5.112 4.740 -0.001 0.000 0.257 255 N C -0.760 174.748 175.510 -0.004 0.000 1.002 255 N CA -0.191 52.857 53.050 -0.003 0.000 0.942 255 N CB 2.172 40.670 38.487 0.018 0.000 1.112 255 N HN 0.388 nan 8.380 nan 0.000 0.499 256 V N 1.593 121.492 119.914 -0.025 0.000 2.407 256 V HA 0.470 4.589 4.120 -0.001 0.000 0.291 256 V C 0.123 176.196 176.094 -0.035 0.000 1.018 256 V CA -1.017 61.268 62.300 -0.025 0.000 0.842 256 V CB 1.329 33.130 31.823 -0.036 0.000 0.996 256 V HN 0.686 nan 8.190 nan 0.000 0.426 257 A N 4.970 127.772 122.820 -0.030 0.000 2.328 257 A HA 0.741 5.060 4.320 -0.001 0.000 0.284 257 A C -0.044 177.521 177.584 -0.032 0.000 1.160 257 A CA -0.433 51.577 52.037 -0.044 0.000 0.818 257 A CB 0.936 19.902 19.000 -0.055 0.000 1.087 257 A HN 1.259 nan 8.150 nan 0.000 0.504 258 V N 1.369 121.254 119.914 -0.048 0.000 2.465 258 V HA 0.698 4.818 4.120 -0.001 0.000 0.279 258 V C -0.250 175.850 176.094 0.009 0.000 1.045 258 V CA -0.415 61.859 62.300 -0.042 0.000 0.938 258 V CB 0.908 32.682 31.823 -0.081 0.000 0.986 258 V HN 0.981 nan 8.190 nan 0.000 0.467 259 H N 2.167 121.169 119.070 -0.113 0.000 2.930 259 H HA 0.818 5.373 4.556 -0.000 0.000 0.371 259 H C 0.091 175.351 175.328 -0.113 0.000 1.169 259 H CA 0.308 56.292 56.048 -0.105 0.000 1.157 259 H CB 1.802 31.523 29.762 -0.067 0.000 1.789 259 H HN 1.392 nan 8.280 nan 0.000 0.547 260 G N 2.397 111.194 108.800 -0.005 0.000 2.460 260 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.207 260 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.207 260 G C -0.416 174.291 174.900 -0.321 0.000 1.170 260 G CA 0.394 45.421 45.100 -0.122 0.000 1.151 260 G HN 0.696 nan 8.290 nan 0.000 0.575 261 H N -0.059 118.970 119.070 -0.069 0.000 2.998 261 H HA 0.287 4.843 4.556 -0.000 0.000 0.223 261 H C 0.875 176.209 175.328 0.011 0.000 0.906 261 H CA 0.405 56.501 56.048 0.079 0.000 1.014 261 H CB 0.475 30.424 29.762 0.313 0.000 1.389 261 H HN 0.406 nan 8.280 nan 0.000 0.467 262 N N 2.920 121.509 118.700 -0.185 0.000 2.419 262 N HA 0.063 4.803 4.740 -0.001 0.000 0.264 262 N C -1.904 173.421 175.510 -0.307 0.000 1.031 262 N CA -1.885 50.946 53.050 -0.365 0.000 0.951 262 N CB 1.600 39.781 38.487 -0.509 0.000 1.101 262 N HN 0.035 nan 8.380 nan 0.000 0.488 263 P HA -0.087 nan 4.420 nan 0.000 0.230 263 P C 1.242 178.240 177.300 -0.502 0.000 1.158 263 P CA 0.479 63.356 63.100 -0.371 0.000 0.769 263 P CB 0.326 31.805 31.700 -0.369 0.000 0.807 264 V N 0.053 119.815 119.914 -0.253 0.000 2.380 264 V HA -0.236 3.883 4.120 -0.001 0.000 0.251 264 V C 2.459 178.548 176.094 -0.009 0.000 1.063 264 V CA 1.813 64.138 62.300 0.042 0.000 1.055 264 V CB -0.982 30.729 31.823 -0.187 0.000 0.657 264 V HN 0.094 nan 8.190 nan 0.000 0.455 265 L N 0.440 121.441 121.223 -0.370 0.000 2.062 265 L HA -0.029 4.311 4.340 -0.001 0.000 0.202 265 L C 2.747 179.415 176.870 -0.337 0.000 1.079 265 L CA 2.407 56.902 54.840 -0.576 0.000 0.755 265 L CB -0.905 40.764 42.059 -0.650 0.000 0.913 265 L HN 0.450 nan 8.230 nan 0.000 0.445 266 S N -1.507 114.008 115.700 -0.308 0.000 2.382 266 S HA -0.232 4.238 4.470 -0.001 0.000 0.228 266 S C 1.799 176.266 174.600 -0.223 0.000 1.027 266 S CA 1.397 59.459 58.200 -0.230 0.000 0.991 266 S CB -0.998 62.086 63.200 -0.194 0.000 0.823 266 S HN 0.566 nan 8.310 nan 0.000 0.469 267 D N 1.150 121.358 120.400 -0.321 0.000 2.123 267 D HA -0.066 4.573 4.640 -0.001 0.000 0.196 267 D C 1.795 177.974 176.300 -0.201 0.000 0.992 267 D CA 1.376 55.191 54.000 -0.308 0.000 0.833 267 D CB -0.117 40.259 40.800 -0.707 0.000 0.954 267 D HN 0.326 nan 8.370 nan 0.000 0.455 268 I N 0.788 121.270 120.570 -0.147 0.000 2.252 268 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 268 I C 2.074 178.137 176.117 -0.091 0.000 1.102 268 I CA 0.635 61.883 61.300 -0.087 0.000 1.385 268 I CB -0.880 37.132 38.000 0.019 0.000 1.064 268 I HN 0.189 nan 8.210 nan 0.000 0.414 269 I N 0.572 121.078 120.570 -0.107 0.000 2.208 269 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 269 I C 2.764 178.815 176.117 -0.111 0.000 1.097 269 I CA 1.212 62.453 61.300 -0.098 0.000 1.363 269 I CB -1.304 36.631 38.000 -0.108 0.000 1.051 269 I HN 0.033 nan 8.210 nan 0.000 0.413 270 V N 1.373 121.200 119.914 -0.145 0.000 2.261 270 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 270 V C 2.659 178.645 176.094 -0.180 0.000 1.047 270 V CA 2.222 64.417 62.300 -0.175 0.000 1.015 270 V CB -0.859 30.810 31.823 -0.257 0.000 0.642 270 V HN 0.531 nan 8.190 nan 0.000 0.446 271 S N -0.185 115.403 115.700 -0.186 0.000 2.355 271 S HA -0.147 4.322 4.470 -0.001 0.000 0.222 271 S C 1.955 176.493 174.600 -0.103 0.000 1.031 271 S CA 1.444 59.553 58.200 -0.152 0.000 0.993 271 S CB -0.649 62.471 63.200 -0.133 0.000 0.859 271 S HN 0.320 nan 8.310 nan 0.000 0.453 272 V N 3.121 122.983 119.914 -0.087 0.000 2.490 272 V HA -0.149 3.971 4.120 -0.001 0.000 0.250 272 V C 3.082 179.138 176.094 -0.063 0.000 1.061 272 V CA 1.801 64.063 62.300 -0.063 0.000 1.064 272 V CB -1.216 30.581 31.823 -0.044 0.000 0.670 272 V HN 0.783 nan 8.190 nan 0.000 0.461 273 S N 0.178 115.833 115.700 -0.074 0.000 2.419 273 S HA -0.276 4.193 4.470 -0.001 0.000 0.235 273 S C 1.938 176.496 174.600 -0.071 0.000 1.019 273 S CA 1.706 59.864 58.200 -0.071 0.000 0.982 273 S CB -0.375 62.779 63.200 -0.078 0.000 0.789 273 S HN 0.635 nan 8.310 nan 0.000 0.490 274 K N 0.891 121.246 120.400 -0.075 0.000 2.097 274 K HA 0.029 4.349 4.320 -0.001 0.000 0.205 274 K C 2.336 178.903 176.600 -0.056 0.000 1.050 274 K CA 1.499 57.745 56.287 -0.068 0.000 0.938 274 K CB -0.178 32.278 32.500 -0.074 0.000 0.718 274 K HN 0.513 nan 8.250 nan 0.000 0.442 275 E N 0.314 120.482 120.200 -0.053 0.000 2.153 275 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 275 E C 1.270 177.846 176.600 -0.040 0.000 0.988 275 E CA 1.080 57.454 56.400 -0.043 0.000 0.811 275 E CB 0.064 29.741 29.700 -0.040 0.000 0.746 275 E HN 0.272 nan 8.360 nan 0.000 0.466 276 M N 0.270 119.844 119.600 -0.045 0.000 2.530 276 M HA 0.049 4.529 4.480 -0.001 0.000 0.231 276 M C 1.096 177.366 176.300 -0.051 0.000 1.180 276 M CA 0.201 55.475 55.300 -0.043 0.000 0.985 276 M CB 0.310 32.885 32.600 -0.042 0.000 1.623 276 M HN 0.044 nan 8.290 nan 0.000 0.475 277 E N 1.056 121.224 120.200 -0.054 0.000 2.118 277 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 277 E C 1.529 178.095 176.600 -0.055 0.000 0.992 277 E CA 1.014 57.377 56.400 -0.061 0.000 0.804 277 E CB 0.115 29.782 29.700 -0.055 0.000 0.741 277 E HN 0.550 nan 8.360 nan 0.000 0.458 278 N N 0.660 119.335 118.700 -0.041 0.000 2.171 278 N HA -0.143 4.597 4.740 -0.001 0.000 0.184 278 N C 1.645 177.137 175.510 -0.031 0.000 1.021 278 N CA 0.686 53.716 53.050 -0.033 0.000 0.854 278 N CB -0.197 38.275 38.487 -0.024 0.000 0.994 278 N HN 0.234 nan 8.380 nan 0.000 0.426 279 E N 0.829 121.011 120.200 -0.030 0.000 2.070 279 E HA -0.162 4.187 4.350 -0.001 0.000 0.197 279 E C 1.774 178.355 176.600 -0.032 0.000 1.004 279 E CA 1.243 57.629 56.400 -0.024 0.000 0.805 279 E CB 0.001 29.689 29.700 -0.021 0.000 0.744 279 E HN 0.335 nan 8.360 nan 0.000 0.451 280 A N 0.985 123.769 122.820 -0.059 0.000 1.933 280 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 280 A C 2.088 179.610 177.584 -0.102 0.000 1.175 280 A CA 1.691 53.666 52.037 -0.103 0.000 0.628 280 A CB -0.479 18.431 19.000 -0.150 0.000 0.814 280 A HN 0.161 nan 8.150 nan 0.000 0.444 281 R N -0.148 120.308 120.500 -0.074 0.000 2.096 281 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 281 R C 2.165 178.456 176.300 -0.016 0.000 1.127 281 R CA 1.582 57.651 56.100 -0.052 0.000 0.968 281 R CB -0.507 29.769 30.300 -0.040 0.000 0.861 281 R HN 0.392 nan 8.270 nan 0.000 0.440 282 A N 0.390 123.206 122.820 -0.008 0.000 1.978 282 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 282 A C 2.189 179.794 177.584 0.036 0.000 1.170 282 A CA 1.655 53.698 52.037 0.011 0.000 0.636 282 A CB -0.742 18.262 19.000 0.006 0.000 0.810 282 A HN 0.508 nan 8.150 nan 0.000 0.448 283 A N -2.098 120.751 122.820 0.049 0.000 2.238 283 A HA 0.423 4.742 4.320 -0.001 0.000 0.208 283 A C 1.696 179.407 177.584 0.211 0.000 1.177 283 A CA 1.172 53.278 52.037 0.115 0.000 0.804 283 A CB -0.822 18.260 19.000 0.137 0.000 0.823 283 A HN 1.871 nan 8.150 nan 0.000 0.482 284 G N -2.436 106.454 108.800 0.149 0.000 2.176 284 G HA2 0.143 4.103 3.960 -0.001 0.000 0.232 284 G HA3 0.143 4.103 3.960 -0.001 0.000 0.232 284 G C 0.343 175.384 174.900 0.235 0.000 0.986 284 G CA 0.163 45.391 45.100 0.213 0.000 0.643 284 G HN 1.519 nan 8.290 nan 0.000 0.522 285 A N -0.016 122.766 122.820 -0.062 0.000 2.282 285 A HA 0.813 5.133 4.320 -0.001 0.000 0.319 285 A C 1.667 179.132 177.584 -0.199 0.000 1.121 285 A CA 1.080 52.860 52.037 -0.429 0.000 0.836 285 A CB 0.615 18.983 19.000 -1.053 0.000 1.146 285 A HN 1.343 nan 8.150 nan 0.000 0.494 286 T N -1.233 113.221 114.554 -0.167 0.000 2.915 286 T HA 0.394 4.744 4.350 -0.001 0.000 0.269 286 T C 0.983 175.611 174.700 -0.119 0.000 1.071 286 T CA 1.261 63.301 62.100 -0.101 0.000 1.132 286 T CB -0.324 68.503 68.868 -0.068 0.000 0.878 286 T HN 2.199 nan 8.240 nan 0.000 0.479 287 G N 0.230 108.923 108.800 -0.177 0.000 2.333 287 G HA2 0.400 4.360 3.960 -0.001 0.000 0.288 287 G HA3 0.400 4.360 3.960 -0.001 0.000 0.288 287 G C -1.835 172.954 174.900 -0.186 0.000 1.286 287 G CA -0.909 44.098 45.100 -0.155 0.000 0.865 287 G HN 0.350 nan 8.290 nan 0.000 0.506 288 I N 1.460 121.948 120.570 -0.137 0.000 2.315 288 I HA 0.263 4.433 4.170 -0.001 0.000 0.291 288 I C -0.370 175.688 176.117 -0.098 0.000 1.006 288 I CA -0.650 60.575 61.300 -0.125 0.000 1.265 288 I CB 1.528 39.468 38.000 -0.100 0.000 1.387 288 I HN 0.355 nan 8.210 nan 0.000 0.475 289 N N 6.762 125.407 118.700 -0.092 0.000 2.678 289 N HA 0.205 4.945 4.740 -0.001 0.000 0.231 289 N C -0.820 174.655 175.510 -0.058 0.000 1.038 289 N CA -0.306 52.703 53.050 -0.068 0.000 0.932 289 N CB 0.727 39.179 38.487 -0.058 0.000 1.176 289 N HN 0.279 nan 8.380 nan 0.000 0.511 290 V N 3.551 123.429 119.914 -0.060 0.000 2.508 290 V HA 0.233 4.353 4.120 -0.001 0.000 0.281 290 V C 0.492 176.554 176.094 -0.052 0.000 1.041 290 V CA -0.348 61.917 62.300 -0.058 0.000 1.016 290 V CB 0.606 32.389 31.823 -0.067 0.000 0.984 290 V HN 0.423 nan 8.190 nan 0.000 0.478 291 V N 2.530 122.411 119.914 -0.055 0.000 3.040 291 V HA 1.050 5.169 4.120 -0.001 0.000 0.312 291 V C 0.139 176.187 176.094 -0.076 0.000 1.115 291 V CA -0.457 61.807 62.300 -0.059 0.000 0.998 291 V CB 1.889 33.675 31.823 -0.060 0.000 1.042 291 V HN 0.869 nan 8.190 nan 0.000 0.433 292 G N 1.818 110.565 108.800 -0.088 0.000 2.400 292 G HA2 0.772 4.732 3.960 -0.001 0.000 0.333 292 G HA3 0.772 4.732 3.960 -0.001 0.000 0.333 292 G C -1.052 173.735 174.900 -0.187 0.000 1.143 292 G CA -0.836 44.200 45.100 -0.107 0.000 0.914 292 G HN 0.836 nan 8.290 nan 0.000 0.480 293 I N 0.227 120.675 120.570 -0.203 0.000 2.689 293 I HA 0.341 4.510 4.170 -0.001 0.000 0.299 293 I C 0.617 176.618 176.117 -0.193 0.000 1.059 293 I CA -0.476 60.625 61.300 -0.332 0.000 1.055 293 I CB 1.836 39.513 38.000 -0.539 0.000 1.243 293 I HN 0.709 nan 8.210 nan 0.000 0.425 294 C N 2.558 121.769 119.300 -0.148 0.000 0.168 294 C HA -0.304 4.156 4.460 -0.001 0.000 0.017 294 C C 2.270 177.250 174.990 -0.017 0.000 0.171 294 C CA 0.293 59.324 59.018 0.023 0.000 0.499 294 C CB -1.389 26.415 27.740 0.106 0.000 3.212 294 C HN 1.046 nan 8.230 nan 0.000 1.118 295 C N -0.303 118.884 119.300 -0.187 0.000 2.467 295 C HA -0.016 4.443 4.460 -0.001 0.000 0.279 295 C C 2.650 177.585 174.990 -0.092 0.000 1.347 295 C CA 1.806 60.750 59.018 -0.124 0.000 1.748 295 C CB -1.403 26.252 27.740 -0.142 0.000 1.977 295 C HN 0.992 nan 8.230 nan 0.000 0.501 296 T N 0.099 114.554 114.554 -0.165 0.000 2.915 296 T HA -0.035 4.315 4.350 -0.001 0.000 0.269 296 T C 1.806 176.465 174.700 -0.069 0.000 1.071 296 T CA 1.840 63.879 62.100 -0.100 0.000 1.132 296 T CB -0.331 68.455 68.868 -0.136 0.000 0.878 296 T HN 0.631 nan 8.240 nan 0.000 0.479 297 G N 1.172 109.936 108.800 -0.059 0.000 2.402 297 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 297 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 297 G C 1.746 176.649 174.900 0.006 0.000 1.162 297 G CA 0.494 45.568 45.100 -0.044 0.000 0.777 297 G HN 0.426 nan 8.290 nan 0.000 0.539 298 N N 0.758 119.491 118.700 0.054 0.000 2.120 298 N HA -0.084 4.656 4.740 -0.001 0.000 0.188 298 N C 2.182 177.698 175.510 0.011 0.000 1.024 298 N CA 1.002 54.111 53.050 0.097 0.000 0.852 298 N CB -0.179 38.410 38.487 0.171 0.000 1.003 298 N HN 0.348 nan 8.380 nan 0.000 0.424 299 E N 0.487 120.685 120.200 -0.002 0.000 2.085 299 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 299 E C 2.069 178.626 176.600 -0.072 0.000 0.994 299 E CA 1.161 57.542 56.400 -0.032 0.000 0.801 299 E CB -0.290 29.393 29.700 -0.028 0.000 0.743 299 E HN 0.405 nan 8.360 nan 0.000 0.453 300 V N -0.756 119.131 119.914 -0.046 0.000 3.129 300 V HA -0.013 4.107 4.120 -0.001 0.000 0.259 300 V C 2.373 178.456 176.094 -0.018 0.000 1.116 300 V CA 0.718 63.022 62.300 0.006 0.000 1.127 300 V CB -0.674 31.178 31.823 0.050 0.000 0.742 300 V HN 0.059 nan 8.190 nan 0.000 0.474 301 L N -0.653 120.548 121.223 -0.036 0.000 2.027 301 L HA -0.069 4.271 4.340 -0.001 0.000 0.206 301 L C 2.649 179.447 176.870 -0.121 0.000 1.074 301 L CA 1.861 56.673 54.840 -0.047 0.000 0.745 301 L CB -0.222 41.833 42.059 -0.007 0.000 0.898 301 L HN 0.175 nan 8.230 nan 0.000 0.433 302 M N -0.592 118.904 119.600 -0.173 0.000 2.117 302 M HA -0.183 4.296 4.480 -0.001 0.000 0.262 302 M C 2.357 178.516 176.300 -0.236 0.000 1.065 302 M CA 1.780 56.940 55.300 -0.233 0.000 1.114 302 M CB -0.951 31.515 32.600 -0.222 0.000 1.361 302 M HN 0.313 nan 8.290 nan 0.000 0.408 303 R N -1.804 118.510 120.500 -0.310 0.000 2.189 303 R HA 0.023 4.363 4.340 -0.001 0.000 0.203 303 R C 0.984 176.896 176.300 -0.647 0.000 1.012 303 R CA 0.706 56.496 56.100 -0.516 0.000 1.015 303 R CB 0.180 30.058 30.300 -0.703 0.000 0.938 303 R HN 0.547 nan 8.270 nan 0.000 0.472 304 H N -1.966 117.070 119.070 -0.057 0.000 3.360 304 H HA 0.242 4.798 4.556 -0.001 0.000 0.262 304 H C 0.731 176.028 175.328 -0.053 0.000 1.149 304 H CA 0.235 56.253 56.048 -0.051 0.000 1.181 304 H CB 1.713 31.443 29.762 -0.053 0.000 1.564 304 H HN 0.325 nan 8.280 nan 0.000 0.565 305 G N 1.575 110.379 108.800 0.006 0.000 2.160 305 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.251 305 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.251 305 G C 0.013 174.919 174.900 0.010 0.000 1.008 305 G CA -0.015 45.081 45.100 -0.006 0.000 0.724 305 G HN 0.212 nan 8.290 nan 0.000 0.514 306 I N 2.155 122.739 120.570 0.024 0.000 2.668 306 I HA 0.134 4.303 4.170 -0.001 0.000 0.285 306 I C -1.251 174.865 176.117 -0.002 0.000 1.168 306 I CA -1.935 59.370 61.300 0.008 0.000 1.424 306 I CB 0.094 38.099 38.000 0.008 0.000 1.377 306 I HN 0.025 nan 8.210 nan 0.000 0.560 307 P HA 0.123 nan 4.420 nan 0.000 0.271 307 P C -0.729 176.561 177.300 -0.017 0.000 1.216 307 P CA -0.454 62.643 63.100 -0.005 0.000 0.776 307 P CB 0.777 32.470 31.700 -0.011 0.000 0.881 308 A N 2.588 125.407 122.820 -0.001 0.000 2.309 308 A HA 0.212 4.532 4.320 -0.001 0.000 0.290 308 A C 1.505 179.038 177.584 -0.085 0.000 1.206 308 A CA -0.534 51.479 52.037 -0.040 0.000 0.850 308 A CB -0.411 18.627 19.000 0.063 0.000 1.118 308 A HN 0.760 nan 8.150 nan 0.000 0.523 309 C N 2.177 121.384 119.300 -0.155 0.000 2.543 309 C HA 0.361 4.821 4.460 -0.001 0.000 0.281 309 C C 1.310 176.196 174.990 -0.174 0.000 1.276 309 C CA 1.755 60.691 59.018 -0.138 0.000 1.700 309 C CB -0.235 27.424 27.740 -0.134 0.000 2.093 309 C HN 0.995 nan 8.230 nan 0.000 0.488 310 T N -2.688 111.666 114.554 -0.335 0.000 2.658 310 T HA 0.503 4.852 4.350 -0.001 0.000 0.305 310 T C -2.261 172.058 174.700 -0.635 0.000 1.551 310 T CA -0.420 61.495 62.100 -0.309 0.000 0.985 310 T CB 1.008 69.812 68.868 -0.107 0.000 1.731 310 T HN 0.571 nan 8.240 nan 0.000 0.486 311 H N -0.222 118.824 119.070 -0.039 0.000 3.012 311 H HA 0.749 5.304 4.556 -0.001 0.000 0.367 311 H C 0.485 175.813 175.328 -0.000 0.000 1.211 311 H CA 0.381 56.408 56.048 -0.035 0.000 1.139 311 H CB 1.533 31.281 29.762 -0.024 0.000 1.838 311 H HN 0.811 nan 8.280 nan 0.000 0.550 312 S N -0.278 115.506 115.700 0.140 0.000 4.110 312 S HA -0.319 4.150 4.470 -0.001 0.000 0.573 312 S C 1.808 176.443 174.600 0.058 0.000 1.936 312 S CA 1.958 60.229 58.200 0.118 0.000 4.227 312 S CB -1.285 61.997 63.200 0.136 0.000 0.327 312 S HN 0.666 nan 8.310 nan 0.000 0.532 313 V N 2.539 122.469 119.914 0.027 0.000 2.490 313 V HA -0.050 4.070 4.120 -0.001 0.000 0.250 313 V C 2.176 178.200 176.094 -0.116 0.000 1.061 313 V CA 3.050 65.278 62.300 -0.120 0.000 1.064 313 V CB -0.597 31.116 31.823 -0.184 0.000 0.670 313 V HN 1.056 nan 8.190 nan 0.000 0.461 314 S N -0.141 115.620 115.700 0.102 0.000 2.634 314 S HA -0.028 4.442 4.470 -0.001 0.000 0.221 314 S C 1.630 176.294 174.600 0.106 0.000 0.952 314 S CA 0.406 58.741 58.200 0.225 0.000 0.930 314 S CB 0.022 63.417 63.200 0.325 0.000 0.780 314 S HN 0.864 nan 8.310 nan 0.000 0.498 315 Q N 1.803 121.618 119.800 0.025 0.000 2.197 315 Q HA -0.221 4.118 4.340 -0.001 0.000 0.207 315 Q C 1.379 177.376 176.000 -0.005 0.000 0.984 315 Q CA 1.828 57.603 55.803 -0.047 0.000 0.869 315 Q CB -0.778 27.912 28.738 -0.080 0.000 0.906 315 Q HN 0.681 nan 8.270 nan 0.000 0.426 316 E N 0.313 120.541 120.200 0.047 0.000 2.204 316 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 316 E C 1.927 178.567 176.600 0.067 0.000 0.989 316 E CA 1.012 57.450 56.400 0.062 0.000 0.824 316 E CB -0.030 29.720 29.700 0.083 0.000 0.756 316 E HN 0.441 nan 8.360 nan 0.000 0.477 317 M N 0.161 119.814 119.600 0.087 0.000 2.296 317 M HA -0.037 4.442 4.480 -0.001 0.000 0.265 317 M C 2.346 178.667 176.300 0.036 0.000 1.064 317 M CA 0.879 56.226 55.300 0.079 0.000 1.109 317 M CB -0.834 31.828 32.600 0.103 0.000 1.396 317 M HN 0.118 nan 8.290 nan 0.000 0.430 318 A N 0.589 123.415 122.820 0.010 0.000 1.933 318 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 318 A C 2.239 179.826 177.584 0.004 0.000 1.175 318 A CA 1.521 53.552 52.037 -0.011 0.000 0.628 318 A CB -0.528 18.443 19.000 -0.048 0.000 0.814 318 A HN 0.506 nan 8.150 nan 0.000 0.444 319 M N -0.476 119.132 119.600 0.014 0.000 2.175 319 M HA -0.063 4.417 4.480 -0.001 0.000 0.264 319 M C 1.686 178.002 176.300 0.026 0.000 1.063 319 M CA 1.034 56.347 55.300 0.023 0.000 1.119 319 M CB -0.486 32.133 32.600 0.032 0.000 1.377 319 M HN 0.239 nan 8.290 nan 0.000 0.415 320 I N 1.007 121.596 120.570 0.033 0.000 2.567 320 I HA -0.194 3.975 4.170 -0.001 0.000 0.257 320 I C 2.678 178.809 176.117 0.023 0.000 1.184 320 I CA 1.846 63.166 61.300 0.032 0.000 1.451 320 I CB -1.958 36.069 38.000 0.043 0.000 1.089 320 I HN 0.455 nan 8.210 nan 0.000 0.441 321 T N -1.180 113.386 114.554 0.019 0.000 2.849 321 T HA -0.072 4.277 4.350 -0.001 0.000 0.270 321 T C 1.783 176.491 174.700 0.014 0.000 1.066 321 T CA 1.408 63.517 62.100 0.014 0.000 1.130 321 T CB -0.472 68.403 68.868 0.012 0.000 0.864 321 T HN 0.517 nan 8.240 nan 0.000 0.481 322 G N 0.633 109.442 108.800 0.016 0.000 2.176 322 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.253 322 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.253 322 G C 0.854 175.764 174.900 0.017 0.000 0.979 322 G CA 0.184 45.292 45.100 0.013 0.000 0.641 322 G HN 1.380 nan 8.290 nan 0.000 0.530 323 A N -0.838 121.996 122.820 0.025 0.000 2.390 323 A HA 0.724 5.043 4.320 -0.001 0.000 0.232 323 A C 0.714 178.328 177.584 0.050 0.000 1.233 323 A CA 0.594 52.657 52.037 0.042 0.000 0.907 323 A CB 0.265 19.290 19.000 0.042 0.000 0.967 323 A HN 1.085 nan 8.150 nan 0.000 0.512 324 L N 0.998 122.241 121.223 0.035 0.000 2.268 324 L HA 0.332 4.672 4.340 -0.001 0.000 0.289 324 L C 0.202 177.097 176.870 0.042 0.000 1.064 324 L CA -0.032 54.826 54.840 0.031 0.000 0.824 324 L CB 0.377 42.445 42.059 0.015 0.000 1.202 324 L HN 0.215 nan 8.230 nan 0.000 0.433 325 D N 3.757 124.193 120.400 0.059 0.000 2.162 325 D HA 0.095 4.735 4.640 -0.001 0.000 0.203 325 D C 0.318 176.646 176.300 0.047 0.000 0.967 325 D CA 1.077 55.120 54.000 0.071 0.000 0.840 325 D CB 0.435 41.309 40.800 0.124 0.000 0.972 325 D HN 0.551 nan 8.370 nan 0.000 0.482 326 A N 0.109 122.948 122.820 0.032 0.000 2.549 326 A HA 0.633 4.953 4.320 -0.001 0.000 0.297 326 A C -1.228 176.365 177.584 0.016 0.000 1.061 326 A CA -0.618 51.433 52.037 0.022 0.000 0.690 326 A CB 2.092 21.101 19.000 0.014 0.000 1.287 326 A HN 0.064 nan 8.150 nan 0.000 0.402 327 M N 3.373 122.988 119.600 0.024 0.000 2.053 327 M HA 0.561 5.041 4.480 -0.001 0.000 0.297 327 M C -1.972 174.346 176.300 0.029 0.000 0.921 327 M CA -0.429 54.894 55.300 0.037 0.000 0.918 327 M CB 0.319 32.959 32.600 0.067 0.000 1.499 327 M HN 0.596 nan 8.290 nan 0.000 0.422 328 I N 6.362 126.937 120.570 0.009 0.000 2.321 328 I HA 0.365 4.534 4.170 -0.001 0.000 0.291 328 I C -0.927 175.166 176.117 -0.041 0.000 0.998 328 I CA -0.571 60.714 61.300 -0.026 0.000 1.227 328 I CB 1.083 39.050 38.000 -0.054 0.000 1.368 328 I HN 0.655 nan 8.210 nan 0.000 0.466 329 L N 5.827 127.014 121.223 -0.060 0.000 2.342 329 L HA 0.505 4.844 4.340 -0.001 0.000 0.271 329 L C -0.018 176.773 176.870 -0.130 0.000 1.008 329 L CA -0.577 54.203 54.840 -0.099 0.000 0.818 329 L CB 1.663 43.669 42.059 -0.087 0.000 1.296 329 L HN 0.585 nan 8.230 nan 0.000 0.427 330 D N 0.127 120.406 120.400 -0.201 0.000 2.949 330 D HA 0.163 4.803 4.640 -0.001 0.000 0.247 330 D C -0.609 175.600 176.300 -0.152 0.000 1.552 330 D CA 0.455 54.288 54.000 -0.278 0.000 1.231 330 D CB 0.061 40.515 40.800 -0.577 0.000 0.990 330 D HN 0.342 nan 8.370 nan 0.000 0.270 331 Y N -2.509 117.827 120.300 0.059 0.000 2.609 331 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 331 Y C -1.182 174.787 175.900 0.114 0.000 1.129 331 Y CA -1.718 56.417 58.100 0.059 0.000 1.040 331 Y CB 0.569 39.064 38.460 0.058 0.000 1.310 331 Y HN 0.205 nan 8.280 nan 0.000 0.460 332 Q N 0.051 120.014 119.800 0.272 0.000 3.120 332 Q HA -0.059 4.280 4.340 -0.001 0.000 0.070 332 Q C -0.341 175.777 176.000 0.197 0.000 1.644 332 Q CA 0.521 56.404 55.803 0.134 0.000 0.291 332 Q CB -1.142 27.469 28.738 -0.211 0.000 0.583 332 Q HN 1.414 nan 8.270 nan 0.000 0.322 333 C N 0.323 119.724 119.300 0.168 0.000 4.497 333 C HA -0.212 4.248 4.460 -0.001 0.000 0.268 333 C C 0.619 175.699 174.990 0.148 0.000 1.343 333 C CA 0.643 59.783 59.018 0.205 0.000 1.742 333 C CB -2.162 25.742 27.740 0.273 0.000 1.450 333 C HN 0.566 nan 8.230 nan 0.000 0.733 334 I N 1.470 122.054 120.570 0.023 0.000 2.337 334 I HA 0.182 4.352 4.170 -0.001 0.000 0.291 334 I C 0.855 177.004 176.117 0.053 0.000 1.046 334 I CA 0.674 61.937 61.300 -0.061 0.000 1.324 334 I CB 0.493 38.338 38.000 -0.259 0.000 1.409 334 I HN 0.261 nan 8.210 nan 0.000 0.494 335 Q N 8.819 128.683 119.800 0.107 0.000 2.239 335 Q HA 0.009 4.348 4.340 -0.001 0.000 0.286 335 Q C -1.229 174.803 176.000 0.053 0.000 1.102 335 Q CA -1.091 54.752 55.803 0.066 0.000 0.936 335 Q CB 0.461 29.232 28.738 0.055 0.000 1.127 335 Q HN 0.448 nan 8.270 nan 0.000 0.380 336 P HA -0.184 nan 4.420 nan 0.000 0.228 336 P C 1.011 178.333 177.300 0.035 0.000 1.151 336 P CA 1.108 64.228 63.100 0.033 0.000 0.770 336 P CB 0.196 31.911 31.700 0.026 0.000 0.786 337 S N 0.313 116.035 115.700 0.036 0.000 2.440 337 S HA -0.161 4.309 4.470 -0.001 0.000 0.238 337 S C 2.004 176.631 174.600 0.045 0.000 1.010 337 S CA 1.520 59.743 58.200 0.037 0.000 0.972 337 S CB -1.966 61.255 63.200 0.035 0.000 0.774 337 S HN 0.189 nan 8.310 nan 0.000 0.501 338 V N 0.099 120.046 119.914 0.055 0.000 2.490 338 V HA 0.030 4.149 4.120 -0.001 0.000 0.250 338 V C 2.692 178.816 176.094 0.050 0.000 1.061 338 V CA 1.385 63.721 62.300 0.061 0.000 1.064 338 V CB -1.790 30.084 31.823 0.086 0.000 0.670 338 V HN 0.548 nan 8.190 nan 0.000 0.461 339 A N 0.405 123.252 122.820 0.045 0.000 1.969 339 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 339 A C 2.319 179.924 177.584 0.035 0.000 1.169 339 A CA 2.406 54.466 52.037 0.039 0.000 0.635 339 A CB -1.052 17.970 19.000 0.036 0.000 0.810 339 A HN 0.569 nan 8.150 nan 0.000 0.445 340 T N 0.083 114.657 114.554 0.034 0.000 2.894 340 T HA 0.044 4.394 4.350 -0.001 0.000 0.258 340 T C 1.778 176.498 174.700 0.032 0.000 1.043 340 T CA 1.154 63.272 62.100 0.031 0.000 1.141 340 T CB -0.314 68.572 68.868 0.030 0.000 0.873 340 T HN 0.419 nan 8.240 nan 0.000 0.449 341 I N 1.743 122.336 120.570 0.037 0.000 2.264 341 I HA -0.186 3.984 4.170 -0.001 0.000 0.248 341 I C 2.945 179.083 176.117 0.035 0.000 1.111 341 I CA 0.980 62.303 61.300 0.039 0.000 1.382 341 I CB -0.623 37.405 38.000 0.046 0.000 1.060 341 I HN 0.184 nan 8.210 nan 0.000 0.418 342 A N 0.968 123.809 122.820 0.035 0.000 1.948 342 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 342 A C 2.323 179.923 177.584 0.026 0.000 1.177 342 A CA 2.227 54.283 52.037 0.032 0.000 0.636 342 A CB -0.727 18.294 19.000 0.033 0.000 0.815 342 A HN 0.596 nan 8.150 nan 0.000 0.449 343 E N -0.781 119.434 120.200 0.025 0.000 2.153 343 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 343 E C 1.748 178.359 176.600 0.018 0.000 0.988 343 E CA 1.590 58.002 56.400 0.020 0.000 0.811 343 E CB -0.336 29.376 29.700 0.020 0.000 0.746 343 E HN 0.633 nan 8.360 nan 0.000 0.466 344 C N 0.122 119.435 119.300 0.020 0.000 2.485 344 C HA 0.024 4.484 4.460 -0.001 0.000 0.278 344 C C 2.723 177.723 174.990 0.017 0.000 1.356 344 C CA 1.120 60.150 59.018 0.019 0.000 1.747 344 C CB -0.721 27.032 27.740 0.023 0.000 2.001 344 C HN 0.682 nan 8.230 nan 0.000 0.501 345 T N -3.112 111.454 114.554 0.020 0.000 3.040 345 T HA 0.382 4.732 4.350 -0.001 0.000 0.250 345 T C 1.539 176.248 174.700 0.014 0.000 1.058 345 T CA 1.220 63.331 62.100 0.018 0.000 0.988 345 T CB 0.154 69.036 68.868 0.024 0.000 0.993 345 T HN 0.796 nan 8.240 nan 0.000 0.519 346 G N 1.293 110.102 108.800 0.014 0.000 2.205 346 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.261 346 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.261 346 G C 0.259 175.170 174.900 0.018 0.000 0.980 346 G CA 0.238 45.344 45.100 0.011 0.000 0.632 346 G HN 0.727 nan 8.290 nan 0.000 0.533 347 T N 2.171 116.739 114.554 0.024 0.000 2.928 347 T HA 0.437 4.786 4.350 -0.001 0.000 0.305 347 T C 0.606 175.324 174.700 0.030 0.000 1.035 347 T CA 0.966 63.084 62.100 0.029 0.000 1.145 347 T CB 1.078 69.965 68.868 0.031 0.000 0.963 347 T HN 0.239 nan 8.240 nan 0.000 0.545 348 T N 3.846 118.419 114.554 0.031 0.000 2.727 348 T HA 0.319 4.669 4.350 -0.001 0.000 0.298 348 T C 0.252 174.970 174.700 0.030 0.000 0.942 348 T CA -0.534 61.583 62.100 0.030 0.000 0.997 348 T CB 0.246 69.131 68.868 0.028 0.000 0.917 348 T HN 0.330 nan 8.240 nan 0.000 0.487 349 V N 6.235 126.170 119.914 0.034 0.000 2.432 349 V HA 0.382 4.502 4.120 -0.001 0.000 0.271 349 V C 0.186 176.301 176.094 0.035 0.000 1.046 349 V CA -0.505 61.818 62.300 0.038 0.000 0.945 349 V CB 0.402 32.252 31.823 0.045 0.000 0.992 349 V HN 0.766 nan 8.190 nan 0.000 0.471 350 I N 4.948 125.533 120.570 0.024 0.000 2.410 350 I HA 0.386 4.556 4.170 -0.001 0.000 0.286 350 I C 0.530 176.653 176.117 0.009 0.000 1.009 350 I CA -0.350 60.958 61.300 0.013 0.000 1.111 350 I CB 2.111 40.106 38.000 -0.009 0.000 1.262 350 I HN 0.661 nan 8.210 nan 0.000 0.443 351 T N 0.321 114.906 114.554 0.051 0.000 2.918 351 T HA 0.429 4.778 4.350 -0.001 0.000 0.283 351 T C 0.743 175.412 174.700 -0.052 0.000 1.001 351 T CA -0.090 62.065 62.100 0.093 0.000 1.041 351 T CB 1.747 70.775 68.868 0.267 0.000 1.028 351 T HN 0.759 nan 8.240 nan 0.000 0.511 352 T N -2.388 112.156 114.554 -0.015 0.000 2.993 352 T HA 0.308 4.657 4.350 -0.001 0.000 0.260 352 T C 0.380 175.156 174.700 0.127 0.000 0.939 352 T CA -0.513 61.533 62.100 -0.089 0.000 0.886 352 T CB 0.250 69.083 68.868 -0.059 0.000 1.209 352 T HN 0.459 nan 8.240 nan 0.000 0.518 353 M N 2.561 122.321 119.600 0.266 0.000 2.268 353 M HA 0.447 4.927 4.480 -0.001 0.000 0.344 353 M C 1.296 177.773 176.300 0.296 0.000 1.106 353 M CA -0.516 54.956 55.300 0.287 0.000 1.010 353 M CB 1.631 34.410 32.600 0.300 0.000 1.649 353 M HN 0.369 nan 8.290 nan 0.000 0.443 354 E N 3.817 124.140 120.200 0.205 0.000 2.130 354 E HA -0.230 4.120 4.350 -0.001 0.000 0.196 354 E C 0.933 177.543 176.600 0.016 0.000 0.998 354 E CA 2.019 58.464 56.400 0.076 0.000 0.806 354 E CB 0.099 29.828 29.700 0.048 0.000 0.738 354 E HN 0.711 nan 8.360 nan 0.000 0.459 355 M N -0.097 119.530 119.600 0.045 0.000 2.568 355 M HA 0.264 4.744 4.480 -0.001 0.000 0.226 355 M C 0.183 176.507 176.300 0.040 0.000 1.148 355 M CA 0.142 55.450 55.300 0.013 0.000 1.007 355 M CB 0.899 33.489 32.600 -0.017 0.000 1.651 355 M HN -0.073 nan 8.290 nan 0.000 0.488 356 S N 0.743 116.491 115.700 0.081 0.000 2.356 356 S HA 0.462 4.932 4.470 -0.001 0.000 0.171 356 S C -0.766 173.882 174.600 0.080 0.000 1.399 356 S CA -0.776 57.481 58.200 0.096 0.000 1.225 356 S CB 0.292 63.600 63.200 0.181 0.000 1.271 356 S HN 0.417 nan 8.310 nan 0.000 0.427 357 K N 2.151 122.561 120.400 0.017 0.000 2.185 357 K HA 0.688 5.008 4.320 -0.001 0.000 0.240 357 K C -0.841 175.770 176.600 0.018 0.000 0.983 357 K CA -0.889 55.400 56.287 0.002 0.000 0.873 357 K CB 1.663 34.099 32.500 -0.107 0.000 1.118 357 K HN 0.423 nan 8.250 nan 0.000 0.441 358 I N 1.256 121.844 120.570 0.031 0.000 2.478 358 I HA 0.120 4.289 4.170 -0.001 0.000 0.287 358 I C -0.387 175.745 176.117 0.024 0.000 1.042 358 I CA -0.802 60.514 61.300 0.027 0.000 1.067 358 I CB 2.136 40.157 38.000 0.035 0.000 1.233 358 I HN 0.504 nan 8.210 nan 0.000 0.431 359 T N 4.754 119.317 114.554 0.015 0.000 2.822 359 T HA 0.221 4.571 4.350 -0.001 0.000 0.288 359 T C 1.147 175.860 174.700 0.022 0.000 0.991 359 T CA 1.385 63.494 62.100 0.014 0.000 1.176 359 T CB 0.521 69.394 68.868 0.009 0.000 0.951 359 T HN 1.142 nan 8.240 nan 0.000 0.526 360 G N 1.988 110.803 108.800 0.025 0.000 2.232 360 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.226 360 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.226 360 G C 0.272 175.193 174.900 0.036 0.000 0.996 360 G CA -0.102 45.014 45.100 0.028 0.000 0.626 360 G HN 1.142 nan 8.290 nan 0.000 0.509 361 A N 0.386 123.233 122.820 0.044 0.000 2.322 361 A HA 0.728 5.048 4.320 -0.001 0.000 0.269 361 A C 0.668 178.293 177.584 0.068 0.000 1.094 361 A CA 0.889 52.959 52.037 0.054 0.000 0.807 361 A CB 0.436 19.474 19.000 0.063 0.000 1.047 361 A HN 0.728 nan 8.150 nan 0.000 0.487 362 T N 1.488 116.081 114.554 0.064 0.000 2.884 362 T HA 0.325 4.675 4.350 -0.001 0.000 0.298 362 T C -0.301 174.464 174.700 0.108 0.000 0.998 362 T CA 0.633 62.776 62.100 0.073 0.000 1.124 362 T CB 0.001 68.896 68.868 0.044 0.000 0.931 362 T HN 0.662 nan 8.240 nan 0.000 0.531 363 H N 2.131 121.216 119.070 0.025 0.000 2.476 363 H HA 0.556 5.112 4.556 -0.000 0.000 0.328 363 H C -1.137 174.213 175.328 0.036 0.000 1.073 363 H CA -0.558 55.508 56.048 0.030 0.000 1.229 363 H CB 0.626 30.405 29.762 0.029 0.000 1.432 363 H HN 0.328 nan 8.280 nan 0.000 0.477 364 V N 5.668 125.317 119.914 -0.442 0.000 2.376 364 V HA 0.145 4.264 4.120 -0.001 0.000 0.287 364 V C 0.232 176.114 176.094 -0.353 0.000 1.015 364 V CA -1.103 61.041 62.300 -0.261 0.000 0.834 364 V CB 0.877 32.639 31.823 -0.103 0.000 1.001 364 V HN 0.884 nan 8.190 nan 0.000 0.428 365 N N 3.157 121.738 118.700 -0.199 0.000 2.412 365 N HA 0.101 4.841 4.740 -0.001 0.000 0.258 365 N C -0.840 174.694 175.510 0.040 0.000 1.236 365 N CA -0.036 52.985 53.050 -0.048 0.000 0.882 365 N CB 0.354 38.873 38.487 0.053 0.000 1.066 365 N HN 0.620 nan 8.380 nan 0.000 0.465 366 F N 3.965 123.887 119.950 -0.046 0.000 2.388 366 F HA 0.618 5.145 4.527 -0.001 0.000 0.358 366 F C -0.631 175.194 175.800 0.041 0.000 1.122 366 F CA -0.841 57.161 58.000 0.004 0.000 1.056 366 F CB 0.590 39.601 39.000 0.018 0.000 1.155 366 F HN 0.437 nan 8.300 nan 0.000 0.461 367 A N 4.948 127.405 122.820 -0.605 0.000 2.318 367 A HA 0.502 4.822 4.320 -0.001 0.000 0.324 367 A C 0.681 177.796 177.584 -0.783 0.000 1.170 367 A CA -0.592 51.126 52.037 -0.532 0.000 0.810 367 A CB 0.781 19.642 19.000 -0.232 0.000 1.198 367 A HN 0.812 nan 8.150 nan 0.000 0.484 368 E N 1.423 121.281 120.200 -0.569 0.000 2.160 368 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 368 E C 1.170 177.765 176.600 -0.009 0.000 0.991 368 E CA 1.959 58.222 56.400 -0.228 0.000 0.810 368 E CB -0.098 29.532 29.700 -0.117 0.000 0.742 368 E HN 0.831 nan 8.360 nan 0.000 0.466 369 E N -0.156 119.997 120.200 -0.080 0.000 2.204 369 E HA -0.072 4.278 4.350 -0.001 0.000 0.195 369 E C 0.960 177.541 176.600 -0.032 0.000 0.990 369 E CA 1.316 57.701 56.400 -0.026 0.000 0.821 369 E CB 0.019 29.692 29.700 -0.045 0.000 0.750 369 E HN 0.268 nan 8.360 nan 0.000 0.477 370 A N -0.465 122.300 122.820 -0.092 0.000 2.631 370 A HA 0.631 4.951 4.320 -0.001 0.000 0.294 370 A C 1.607 179.156 177.584 -0.058 0.000 1.156 370 A CA 0.370 52.366 52.037 -0.067 0.000 0.963 370 A CB 0.061 19.017 19.000 -0.072 0.000 1.202 370 A HN 0.177 nan 8.150 nan 0.000 0.523 371 A N -0.247 122.549 122.820 -0.040 0.000 1.883 371 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 371 A C 2.006 179.649 177.584 0.099 0.000 1.186 371 A CA 2.179 54.259 52.037 0.072 0.000 0.624 371 A CB -0.724 18.422 19.000 0.243 0.000 0.822 371 A HN 0.511 nan 8.150 nan 0.000 0.444 372 V N -0.168 119.763 119.914 0.027 0.000 2.358 372 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 372 V C 2.446 178.552 176.094 0.020 0.000 1.047 372 V CA 2.296 64.604 62.300 0.013 0.000 1.035 372 V CB -0.751 31.062 31.823 -0.018 0.000 0.658 372 V HN 0.644 nan 8.190 nan 0.000 0.452 373 E N 0.153 120.361 120.200 0.013 0.000 2.051 373 E HA -0.219 4.131 4.350 -0.001 0.000 0.192 373 E C 2.131 178.746 176.600 0.025 0.000 0.991 373 E CA 1.451 57.858 56.400 0.011 0.000 0.799 373 E CB -0.180 29.520 29.700 0.001 0.000 0.748 373 E HN 0.563 nan 8.360 nan 0.000 0.449 374 N N 0.583 119.308 118.700 0.042 0.000 2.166 374 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 374 N C 1.604 177.167 175.510 0.089 0.000 1.019 374 N CA 1.266 54.359 53.050 0.071 0.000 0.856 374 N CB -0.360 38.194 38.487 0.110 0.000 0.993 374 N HN 0.136 nan 8.380 nan 0.000 0.426 375 A N 1.234 124.118 122.820 0.105 0.000 1.969 375 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 375 A C 2.129 179.728 177.584 0.024 0.000 1.169 375 A CA 1.184 53.262 52.037 0.068 0.000 0.635 375 A CB -0.262 18.777 19.000 0.065 0.000 0.810 375 A HN 0.228 nan 8.150 nan 0.000 0.445 376 K N -0.681 119.729 120.400 0.017 0.000 2.097 376 K HA -0.173 4.147 4.320 -0.001 0.000 0.205 376 K C 2.347 178.950 176.600 0.006 0.000 1.050 376 K CA 1.377 57.666 56.287 0.004 0.000 0.938 376 K CB -0.149 32.351 32.500 0.000 0.000 0.718 376 K HN 0.695 nan 8.250 nan 0.000 0.442 377 Q N 1.208 121.016 119.800 0.012 0.000 2.096 377 Q HA -0.187 4.152 4.340 -0.001 0.000 0.204 377 Q C 2.005 178.010 176.000 0.008 0.000 0.982 377 Q CA 1.492 57.301 55.803 0.011 0.000 0.850 377 Q CB -0.061 28.684 28.738 0.013 0.000 0.901 377 Q HN 0.305 nan 8.270 nan 0.000 0.422 378 I N 0.415 120.991 120.570 0.010 0.000 2.202 378 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 378 I C 2.156 178.272 176.117 -0.002 0.000 1.091 378 I CA 0.906 62.207 61.300 0.001 0.000 1.368 378 I CB -0.142 37.856 38.000 -0.002 0.000 1.058 378 I HN 0.261 nan 8.210 nan 0.000 0.410 379 L N 0.007 121.227 121.223 -0.006 0.000 2.275 379 L HA -0.140 4.200 4.340 -0.001 0.000 0.215 379 L C 2.609 179.477 176.870 -0.003 0.000 1.119 379 L CA 1.031 55.864 54.840 -0.011 0.000 0.790 379 L CB -0.468 41.578 42.059 -0.023 0.000 0.919 379 L HN 0.156 nan 8.230 nan 0.000 0.443 380 R N -0.161 120.341 120.500 0.003 0.000 2.115 380 R HA -0.053 4.287 4.340 -0.001 0.000 0.226 380 R C 2.271 178.582 176.300 0.019 0.000 1.100 380 R CA 0.890 56.996 56.100 0.010 0.000 0.980 380 R CB -0.208 30.097 30.300 0.009 0.000 0.875 380 R HN 0.292 nan 8.270 nan 0.000 0.445 381 L N 0.111 121.344 121.223 0.016 0.000 2.042 381 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 381 L C 2.650 179.539 176.870 0.032 0.000 1.076 381 L CA 1.362 56.215 54.840 0.022 0.000 0.749 381 L CB -0.651 41.418 42.059 0.017 0.000 0.893 381 L HN 0.243 nan 8.230 nan 0.000 0.432 382 A N 0.420 123.256 122.820 0.027 0.000 1.908 382 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 382 A C 2.222 179.850 177.584 0.073 0.000 1.181 382 A CA 1.764 53.824 52.037 0.039 0.000 0.627 382 A CB -0.685 18.324 19.000 0.015 0.000 0.818 382 A HN 0.381 nan 8.150 nan 0.000 0.445 383 I N -0.208 120.397 120.570 0.058 0.000 2.252 383 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 383 I C 1.795 177.996 176.117 0.140 0.000 1.102 383 I CA 1.254 62.610 61.300 0.094 0.000 1.385 383 I CB -0.505 37.520 38.000 0.041 0.000 1.064 383 I HN 0.235 nan 8.210 nan 0.000 0.414 384 D N 0.682 121.132 120.400 0.084 0.000 2.133 384 D HA -0.165 4.475 4.640 -0.001 0.000 0.195 384 D C 2.205 178.545 176.300 0.067 0.000 0.997 384 D CA 1.782 55.822 54.000 0.067 0.000 0.840 384 D CB -0.484 40.340 40.800 0.041 0.000 0.947 384 D HN 0.292 nan 8.370 nan 0.000 0.452 385 T N 0.641 115.240 114.554 0.074 0.000 2.777 385 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 385 T C 1.715 176.456 174.700 0.070 0.000 1.040 385 T CA 0.660 62.796 62.100 0.059 0.000 1.141 385 T CB -0.519 68.385 68.868 0.059 0.000 0.868 385 T HN 0.132 nan 8.240 nan 0.000 0.444 386 F N 2.217 122.165 119.950 -0.003 0.000 2.091 386 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 386 F C 2.107 177.905 175.800 -0.003 0.000 1.103 386 F CA 1.449 59.447 58.000 -0.004 0.000 1.228 386 F CB -0.215 38.781 39.000 -0.007 0.000 0.984 386 F HN -0.010 nan 8.300 nan 0.000 0.477 387 K N -0.163 120.226 120.400 -0.020 0.000 2.148 387 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 387 K C 2.037 178.536 176.600 -0.168 0.000 1.050 387 K CA 1.284 57.500 56.287 -0.119 0.000 0.942 387 K CB -0.145 32.376 32.500 0.035 0.000 0.724 387 K HN 0.268 nan 8.250 nan 0.000 0.446 388 R N 0.620 121.054 120.500 -0.109 0.000 2.276 388 R HA -0.040 4.300 4.340 -0.001 0.000 0.203 388 R C 1.435 177.660 176.300 -0.126 0.000 1.017 388 R CA 0.773 56.819 56.100 -0.090 0.000 1.010 388 R CB 0.074 30.348 30.300 -0.043 0.000 0.900 388 R HN 0.220 nan 8.270 nan 0.000 0.469 389 R N 0.362 120.740 120.500 -0.202 0.000 2.466 389 R HA 0.184 4.524 4.340 -0.001 0.000 0.279 389 R C -0.183 175.967 176.300 -0.251 0.000 0.976 389 R CA -0.324 55.665 56.100 -0.185 0.000 1.081 389 R CB 0.094 30.305 30.300 -0.149 0.000 1.215 389 R HN -0.181 nan 8.270 nan 0.000 0.546 390 K N 1.281 121.502 120.400 -0.299 0.000 2.466 390 K HA -0.006 4.313 4.320 -0.001 0.000 0.278 390 K C 0.784 177.300 176.600 -0.140 0.000 1.048 390 K CA 1.528 57.666 56.287 -0.249 0.000 1.088 390 K CB 0.293 32.678 32.500 -0.192 0.000 0.884 390 K HN 0.550 nan 8.250 nan 0.000 0.478 391 G N 3.007 111.739 108.800 -0.113 0.000 2.241 391 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.244 391 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.244 391 G C -0.196 174.670 174.900 -0.058 0.000 0.998 391 G CA 0.001 45.060 45.100 -0.068 0.000 0.621 391 G HN 0.530 nan 8.290 nan 0.000 0.519 392 K N 2.230 122.587 120.400 -0.071 0.000 2.270 392 K HA 0.492 4.811 4.320 -0.001 0.000 0.276 392 K C -1.803 174.774 176.600 -0.037 0.000 1.023 392 K CA -1.052 55.206 56.287 -0.049 0.000 0.955 392 K CB 0.923 33.392 32.500 -0.052 0.000 0.975 392 K HN 0.205 nan 8.250 nan 0.000 0.471 393 P HA 0.069 nan 4.420 nan 0.000 0.275 393 P C -0.827 176.468 177.300 -0.009 0.000 1.228 393 P CA -0.491 62.601 63.100 -0.013 0.000 0.786 393 P CB 0.977 32.671 31.700 -0.009 0.000 0.927 394 V N -1.130 118.783 119.914 -0.002 0.000 3.113 394 V HA 0.614 4.733 4.120 -0.001 0.000 0.316 394 V C -0.352 175.746 176.094 0.005 0.000 1.125 394 V CA -0.928 61.374 62.300 0.003 0.000 1.026 394 V CB 2.093 33.922 31.823 0.011 0.000 1.080 394 V HN 0.618 nan 8.190 nan 0.000 0.444 395 E N 1.495 121.699 120.200 0.007 0.000 2.675 395 E HA 0.481 4.831 4.350 -0.001 0.000 0.236 395 E C -1.364 175.240 176.600 0.007 0.000 1.059 395 E CA -0.508 55.895 56.400 0.006 0.000 0.775 395 E CB 1.129 30.832 29.700 0.004 0.000 1.356 395 E HN 0.774 nan 8.360 nan 0.000 0.403 396 I N 5.363 125.937 120.570 0.007 0.000 2.301 396 I HA 0.246 4.416 4.170 -0.001 0.000 0.292 396 I C -2.038 174.080 176.117 0.002 0.000 1.046 396 I CA -2.118 59.185 61.300 0.005 0.000 1.282 396 I CB 0.863 38.867 38.000 0.008 0.000 1.409 396 I HN 0.297 nan 8.210 nan 0.000 0.484 397 P HA -0.042 nan 4.420 nan 0.000 0.264 397 P C -0.295 177.002 177.300 -0.004 0.000 1.193 397 P CA -0.032 63.066 63.100 -0.003 0.000 0.763 397 P CB 0.351 32.048 31.700 -0.006 0.000 0.810 398 N N 3.524 122.222 118.700 -0.004 0.000 3.303 398 N HA 0.163 4.903 4.740 -0.001 0.000 0.304 398 N C -1.007 174.499 175.510 -0.006 0.000 1.302 398 N CA 0.075 53.123 53.050 -0.004 0.000 1.213 398 N CB -0.942 37.544 38.487 -0.002 0.000 1.481 398 N HN 0.293 nan 8.380 nan 0.000 0.546 399 I N 1.732 122.296 120.570 -0.009 0.000 2.512 399 I HA 0.329 4.499 4.170 -0.001 0.000 0.287 399 I C -0.665 175.442 176.117 -0.016 0.000 1.069 399 I CA -0.750 60.542 61.300 -0.013 0.000 1.056 399 I CB 1.557 39.547 38.000 -0.017 0.000 1.229 399 I HN 0.203 nan 8.210 nan 0.000 0.429 400 K N 3.163 123.554 120.400 -0.014 0.000 2.579 400 K HA 0.734 5.053 4.320 -0.001 0.000 0.284 400 K C -1.228 175.367 176.600 -0.008 0.000 0.990 400 K CA -0.793 55.487 56.287 -0.012 0.000 0.880 400 K CB 2.288 34.784 32.500 -0.006 0.000 1.488 400 K HN 0.472 nan 8.250 nan 0.000 0.425 401 T N -1.906 112.647 114.554 -0.001 0.000 2.930 401 T HA 0.420 4.769 4.350 -0.001 0.000 0.290 401 T C -0.697 174.016 174.700 0.021 0.000 1.052 401 T CA -0.978 61.128 62.100 0.010 0.000 1.017 401 T CB 1.805 70.683 68.868 0.016 0.000 1.137 401 T HN 0.675 nan 8.240 nan 0.000 0.511 402 K N 0.972 121.387 120.400 0.025 0.000 2.143 402 K HA 0.592 4.911 4.320 -0.001 0.000 0.272 402 K C -1.489 175.142 176.600 0.052 0.000 1.001 402 K CA -0.760 55.546 56.287 0.032 0.000 0.915 402 K CB 0.960 33.475 32.500 0.025 0.000 1.047 402 K HN 0.490 nan 8.250 nan 0.000 0.458 403 V N 4.783 124.733 119.914 0.060 0.000 2.482 403 V HA 0.224 4.343 4.120 -0.001 0.000 0.295 403 V C -0.697 175.449 176.094 0.086 0.000 1.026 403 V CA -0.986 61.368 62.300 0.089 0.000 0.856 403 V CB 1.677 33.562 31.823 0.103 0.000 1.001 403 V HN 0.577 nan 8.190 nan 0.000 0.424 404 V N 4.574 124.559 119.914 0.119 0.000 2.439 404 V HA 0.912 5.032 4.120 -0.001 0.000 0.282 404 V C 0.515 176.713 176.094 0.173 0.000 1.039 404 V CA 0.373 62.746 62.300 0.121 0.000 0.913 404 V CB 1.185 33.106 31.823 0.163 0.000 0.983 404 V HN 1.085 nan 8.190 nan 0.000 0.460 405 A N 3.135 125.957 122.820 0.003 0.000 2.733 405 A HA 0.879 5.199 4.320 -0.001 0.000 0.299 405 A C 0.762 178.089 177.584 -0.428 0.000 1.252 405 A CA -0.100 51.906 52.037 -0.051 0.000 0.677 405 A CB 0.699 19.665 19.000 -0.057 0.000 1.361 405 A HN 1.981 nan 8.150 nan 0.000 0.528 406 G N -1.925 106.643 108.800 -0.387 0.000 2.132 406 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.228 406 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.228 406 G C -0.183 174.457 174.900 -0.433 0.000 1.000 406 G CA 0.347 45.204 45.100 -0.405 0.000 0.693 406 G HN 0.910 nan 8.290 nan 0.000 0.515 407 F N 3.191 123.116 119.950 -0.041 0.000 2.626 407 F HA 0.423 4.950 4.527 -0.001 0.000 0.353 407 F C 1.610 177.407 175.800 -0.006 0.000 1.230 407 F CA -0.036 57.961 58.000 -0.005 0.000 1.298 407 F CB 0.077 39.094 39.000 0.028 0.000 1.670 407 F HN 0.305 nan 8.300 nan 0.000 0.633 408 S N -0.769 114.973 115.700 0.070 0.000 2.580 408 S HA -0.029 4.440 4.470 -0.001 0.000 0.261 408 S C 1.456 176.107 174.600 0.085 0.000 1.366 408 S CA -0.276 57.954 58.200 0.051 0.000 0.996 408 S CB 0.824 64.029 63.200 0.007 0.000 0.902 408 S HN 0.470 nan 8.310 nan 0.000 0.566 409 T N 1.533 116.118 114.554 0.053 0.000 2.821 409 T HA -0.072 4.278 4.350 -0.001 0.000 0.267 409 T C 1.604 176.339 174.700 0.058 0.000 1.046 409 T CA 1.880 64.014 62.100 0.056 0.000 1.139 409 T CB -0.545 68.343 68.868 0.032 0.000 0.871 409 T HN 0.744 nan 8.240 nan 0.000 0.454 410 E N 1.519 121.746 120.200 0.045 0.000 2.085 410 E HA -0.022 4.327 4.350 -0.001 0.000 0.194 410 E C 2.391 179.022 176.600 0.052 0.000 0.994 410 E CA 1.199 57.624 56.400 0.041 0.000 0.801 410 E CB -0.470 29.248 29.700 0.030 0.000 0.743 410 E HN 0.486 nan 8.360 nan 0.000 0.453 411 A N 0.613 123.469 122.820 0.060 0.000 1.933 411 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 411 A C 2.236 179.911 177.584 0.152 0.000 1.175 411 A CA 1.198 53.284 52.037 0.082 0.000 0.628 411 A CB -0.620 18.407 19.000 0.047 0.000 0.814 411 A HN 0.195 nan 8.150 nan 0.000 0.444 412 I N -0.506 120.167 120.570 0.171 0.000 2.252 412 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 412 I C 2.293 178.460 176.117 0.084 0.000 1.102 412 I CA 1.222 62.608 61.300 0.144 0.000 1.385 412 I CB -0.349 37.712 38.000 0.103 0.000 1.064 412 I HN 0.297 nan 8.210 nan 0.000 0.414 413 I N 0.997 121.607 120.570 0.067 0.000 2.179 413 I HA -0.333 3.837 4.170 -0.001 0.000 0.242 413 I C 2.378 178.523 176.117 0.047 0.000 1.088 413 I CA 1.792 63.120 61.300 0.048 0.000 1.357 413 I CB -0.523 37.501 38.000 0.040 0.000 1.051 413 I HN 0.321 nan 8.210 nan 0.000 0.409 414 N N 1.166 119.897 118.700 0.052 0.000 2.149 414 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 414 N C 1.764 177.305 175.510 0.053 0.000 1.019 414 N CA 1.689 54.766 53.050 0.045 0.000 0.857 414 N CB -0.074 38.438 38.487 0.040 0.000 0.997 414 N HN 0.338 nan 8.380 nan 0.000 0.426 415 A N 0.407 123.272 122.820 0.075 0.000 1.898 415 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 415 A C 2.278 179.894 177.584 0.052 0.000 1.181 415 A CA 1.008 53.093 52.037 0.080 0.000 0.620 415 A CB -0.796 18.278 19.000 0.124 0.000 0.819 415 A HN 0.374 nan 8.150 nan 0.000 0.442 416 L N 0.606 121.855 121.223 0.044 0.000 2.201 416 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 416 L C 2.873 179.759 176.870 0.026 0.000 1.105 416 L CA 1.377 56.234 54.840 0.029 0.000 0.775 416 L CB -0.400 41.674 42.059 0.025 0.000 0.913 416 L HN 0.618 nan 8.230 nan 0.000 0.440 417 S N -0.835 114.882 115.700 0.028 0.000 2.469 417 S HA -0.125 4.345 4.470 -0.001 0.000 0.238 417 S C 1.826 176.438 174.600 0.021 0.000 0.998 417 S CA 0.559 58.772 58.200 0.023 0.000 0.957 417 S CB -0.186 63.028 63.200 0.023 0.000 0.764 417 S HN 0.261 nan 8.310 nan 0.000 0.514 418 K N 1.155 121.569 120.400 0.024 0.000 2.439 418 K HA 0.245 4.565 4.320 -0.001 0.000 0.197 418 K C 1.541 178.152 176.600 0.018 0.000 1.041 418 K CA 0.525 56.825 56.287 0.022 0.000 0.970 418 K CB -0.465 32.050 32.500 0.026 0.000 0.773 418 K HN 0.494 nan 8.250 nan 0.000 0.479 419 L N -1.111 120.122 121.223 0.018 0.000 2.609 419 L HA 0.165 4.504 4.340 -0.001 0.000 0.230 419 L C 0.093 176.971 176.870 0.013 0.000 1.087 419 L CA -0.033 54.816 54.840 0.015 0.000 0.874 419 L CB 0.201 42.269 42.059 0.014 0.000 1.114 419 L HN 0.091 nan 8.230 nan 0.000 0.488 420 N N -0.636 118.072 118.700 0.014 0.000 2.875 420 N HA 0.263 5.002 4.740 -0.001 0.000 0.253 420 N C 0.453 175.971 175.510 0.013 0.000 1.296 420 N CA 0.209 53.266 53.050 0.012 0.000 0.816 420 N CB 1.155 39.649 38.487 0.011 0.000 1.504 420 N HN 0.002 nan 8.380 nan 0.000 0.582 421 A N 2.592 125.419 122.820 0.012 0.000 1.902 421 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 421 A C 1.388 178.979 177.584 0.011 0.000 1.181 421 A CA 1.390 53.434 52.037 0.012 0.000 0.623 421 A CB -0.171 18.834 19.000 0.010 0.000 0.818 421 A HN 0.725 nan 8.150 nan 0.000 0.443 422 N N -0.587 118.118 118.700 0.009 0.000 2.280 422 N HA 0.088 4.828 4.740 -0.001 0.000 0.192 422 N C -0.527 174.988 175.510 0.009 0.000 1.109 422 N CA 0.495 53.550 53.050 0.008 0.000 0.855 422 N CB 0.527 39.018 38.487 0.007 0.000 0.974 422 N HN 0.394 nan 8.380 nan 0.000 0.482 423 D N -0.235 120.171 120.400 0.010 0.000 2.846 423 D HA 0.207 4.846 4.640 -0.001 0.000 0.279 423 D C -2.042 174.266 176.300 0.012 0.000 1.222 423 D CA -1.618 52.388 54.000 0.010 0.000 0.769 423 D CB 1.134 41.940 40.800 0.009 0.000 1.299 423 D HN -0.105 nan 8.370 nan 0.000 0.537 424 P HA -0.054 nan 4.420 nan 0.000 0.218 424 P C 1.738 179.048 177.300 0.017 0.000 1.149 424 P CA 0.591 63.702 63.100 0.017 0.000 0.817 424 P CB 0.477 32.189 31.700 0.021 0.000 0.785 425 L N -0.526 120.706 121.223 0.016 0.000 2.217 425 L HA -0.054 4.285 4.340 -0.001 0.000 0.211 425 L C 2.679 179.557 176.870 0.013 0.000 1.107 425 L CA 1.086 55.935 54.840 0.015 0.000 0.783 425 L CB -0.768 41.300 42.059 0.015 0.000 0.919 425 L HN -0.031 nan 8.230 nan 0.000 0.442 426 K N 0.833 121.240 120.400 0.012 0.000 2.032 426 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 426 K C -0.549 176.057 176.600 0.011 0.000 1.048 426 K CA 1.601 57.895 56.287 0.011 0.000 0.927 426 K CB -0.781 31.725 32.500 0.010 0.000 0.712 426 K HN 0.151 nan 8.250 nan 0.000 0.441 427 P HA -0.182 nan 4.420 nan 0.000 0.216 427 P C 1.374 178.679 177.300 0.009 0.000 1.150 427 P CA 0.923 64.029 63.100 0.010 0.000 0.837 427 P CB -0.058 31.648 31.700 0.011 0.000 0.786 428 L N -0.502 120.726 121.223 0.009 0.000 2.017 428 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 428 L C 2.311 179.187 176.870 0.009 0.000 1.073 428 L CA 1.712 56.556 54.840 0.007 0.000 0.745 428 L CB -1.342 40.721 42.059 0.006 0.000 0.894 428 L HN -0.160 nan 8.230 nan 0.000 0.432 429 I N -0.414 120.163 120.570 0.011 0.000 2.315 429 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 429 I C 1.991 178.116 176.117 0.014 0.000 1.117 429 I CA 1.041 62.348 61.300 0.012 0.000 1.404 429 I CB -0.580 37.427 38.000 0.012 0.000 1.071 429 I HN 0.249 nan 8.210 nan 0.000 0.419 430 D N 1.008 121.415 120.400 0.012 0.000 2.133 430 D HA -0.185 4.455 4.640 -0.001 0.000 0.195 430 D C 1.842 178.150 176.300 0.014 0.000 0.997 430 D CA 1.240 55.247 54.000 0.012 0.000 0.840 430 D CB -0.404 40.402 40.800 0.011 0.000 0.947 430 D HN 0.349 nan 8.370 nan 0.000 0.452 431 N N 0.036 118.743 118.700 0.013 0.000 2.416 431 N HA -0.047 4.692 4.740 -0.001 0.000 0.177 431 N C 1.902 177.423 175.510 0.018 0.000 1.036 431 N CA 0.130 53.189 53.050 0.014 0.000 0.901 431 N CB 0.455 38.949 38.487 0.011 0.000 0.976 431 N HN 0.077 nan 8.380 nan 0.000 0.444 432 V N 0.826 120.751 119.914 0.018 0.000 2.307 432 V HA -0.149 3.970 4.120 -0.001 0.000 0.245 432 V C 2.439 178.551 176.094 0.030 0.000 1.045 432 V CA 1.155 63.469 62.300 0.024 0.000 1.024 432 V CB -0.375 31.460 31.823 0.020 0.000 0.651 432 V HN 0.020 nan 8.190 nan 0.000 0.449 433 V N 2.127 122.056 119.914 0.026 0.000 2.307 433 V HA -0.209 3.911 4.120 -0.001 0.000 0.245 433 V C 2.267 178.377 176.094 0.028 0.000 1.045 433 V CA 2.232 64.549 62.300 0.028 0.000 1.024 433 V CB -0.968 30.869 31.823 0.023 0.000 0.651 433 V HN 0.895 nan 8.190 nan 0.000 0.449 434 N N 0.602 119.315 118.700 0.022 0.000 2.515 434 N HA 0.105 4.845 4.740 -0.001 0.000 0.185 434 N C 1.319 176.841 175.510 0.021 0.000 1.109 434 N CA 1.295 54.356 53.050 0.018 0.000 0.903 434 N CB 0.280 38.775 38.487 0.013 0.000 0.969 434 N HN 0.510 nan 8.380 nan 0.000 0.450 435 G N -0.271 108.546 108.800 0.028 0.000 2.195 435 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.224 435 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.224 435 G C 0.783 175.701 174.900 0.029 0.000 0.990 435 G CA 0.212 45.333 45.100 0.034 0.000 0.639 435 G HN 0.490 nan 8.290 nan 0.000 0.514 436 N N -0.362 118.351 118.700 0.022 0.000 2.223 436 N HA 0.054 4.794 4.740 -0.001 0.000 0.185 436 N C 0.253 175.776 175.510 0.021 0.000 1.016 436 N CA 0.849 53.910 53.050 0.019 0.000 0.863 436 N CB 0.087 38.582 38.487 0.014 0.000 0.983 436 N HN 0.328 nan 8.380 nan 0.000 0.429 437 I N 0.734 121.317 120.570 0.022 0.000 2.382 437 I HA 0.148 4.318 4.170 -0.001 0.000 0.285 437 I C 1.036 177.171 176.117 0.030 0.000 1.007 437 I CA -0.201 61.112 61.300 0.022 0.000 1.142 437 I CB 1.553 39.561 38.000 0.014 0.000 1.289 437 I HN 0.031 nan 8.210 nan 0.000 0.453 438 R N 4.292 124.814 120.500 0.036 0.000 2.075 438 R HA 0.116 4.455 4.340 -0.001 0.000 0.232 438 R C 0.808 177.129 176.300 0.034 0.000 1.126 438 R CA 1.327 57.456 56.100 0.049 0.000 0.963 438 R CB 0.422 30.756 30.300 0.058 0.000 0.858 438 R HN 0.875 nan 8.270 nan 0.000 0.435 439 G N -1.616 107.194 108.800 0.017 0.000 2.348 439 G HA2 0.320 4.279 3.960 -0.001 0.000 0.296 439 G HA3 0.320 4.279 3.960 -0.001 0.000 0.296 439 G C -1.898 172.995 174.900 -0.012 0.000 1.258 439 G CA -0.595 44.505 45.100 -0.000 0.000 0.868 439 G HN -0.005 nan 8.290 nan 0.000 0.488 440 V N -0.376 119.520 119.914 -0.029 0.000 2.588 440 V HA 0.605 4.725 4.120 -0.001 0.000 0.304 440 V C -0.540 175.506 176.094 -0.080 0.000 1.042 440 V CA -0.703 61.573 62.300 -0.040 0.000 0.877 440 V CB 1.288 33.094 31.823 -0.029 0.000 0.996 440 V HN 1.067 nan 8.190 nan 0.000 0.425 441 C N 6.824 126.058 119.300 -0.111 0.000 2.369 441 C HA 0.762 5.222 4.460 -0.001 0.000 0.322 441 C C -0.518 174.320 174.990 -0.253 0.000 1.258 441 C CA -0.677 58.201 59.018 -0.232 0.000 1.487 441 C CB 0.614 28.145 27.740 -0.348 0.000 2.165 441 C HN 0.870 nan 8.230 nan 0.000 0.483 442 L N 6.672 127.744 121.223 -0.251 0.000 2.260 442 L HA 0.614 4.954 4.340 -0.001 0.000 0.289 442 L C -0.991 175.720 176.870 -0.265 0.000 1.057 442 L CA 0.218 54.956 54.840 -0.169 0.000 0.811 442 L CB 0.094 42.104 42.059 -0.080 0.000 1.184 442 L HN 0.608 nan 8.230 nan 0.000 0.429 443 F N 4.844 124.815 119.950 0.035 0.000 2.404 443 F HA 0.730 5.256 4.527 -0.001 0.000 0.345 443 F C 0.685 176.521 175.800 0.060 0.000 1.110 443 F CA 0.251 58.313 58.000 0.104 0.000 1.130 443 F CB 1.304 40.372 39.000 0.113 0.000 1.129 443 F HN 0.725 nan 8.300 nan 0.000 0.500 444 A N 1.907 124.917 122.820 0.316 0.000 2.564 444 A HA 0.919 5.239 4.320 -0.001 0.000 0.288 444 A C -0.002 177.733 177.584 0.252 0.000 1.164 444 A CA -0.260 51.879 52.037 0.170 0.000 0.712 444 A CB 1.055 20.088 19.000 0.055 0.000 1.303 444 A HN 1.549 nan 8.150 nan 0.000 0.418 445 G N -1.671 107.226 108.800 0.161 0.000 2.660 445 G HA2 0.101 4.061 3.960 -0.001 0.000 0.215 445 G HA3 0.101 4.061 3.960 -0.001 0.000 0.215 445 G C 0.192 175.238 174.900 0.244 0.000 1.345 445 G CA -0.421 44.791 45.100 0.186 0.000 0.877 445 G HN 1.860 nan 8.290 nan 0.000 0.549 446 C N 0.226 119.662 119.300 0.228 0.000 2.411 446 C HA 0.691 5.150 4.460 -0.001 0.000 0.358 446 C C 0.858 176.016 174.990 0.280 0.000 1.349 446 C CA -0.988 58.152 59.018 0.202 0.000 2.326 446 C CB 0.591 28.417 27.740 0.142 0.000 2.166 446 C HN 0.800 nan 8.230 nan 0.000 0.609 447 N N 2.063 120.885 118.700 0.203 0.000 2.476 447 N HA 0.307 5.047 4.740 -0.001 0.000 0.275 447 N C -0.823 174.716 175.510 0.049 0.000 1.190 447 N CA -0.031 53.117 53.050 0.163 0.000 0.977 447 N CB 0.707 39.289 38.487 0.158 0.000 1.200 447 N HN 0.685 nan 8.380 nan 0.000 0.515 448 N N 0.378 119.074 118.700 -0.007 0.000 2.371 448 N HA 0.081 4.821 4.740 -0.001 0.000 0.291 448 N C 0.376 175.792 175.510 -0.157 0.000 1.053 448 N CA -0.403 52.590 53.050 -0.095 0.000 0.870 448 N CB 1.857 40.286 38.487 -0.097 0.000 1.503 448 N HN 0.171 nan 8.380 nan 0.000 0.485 449 V N 4.488 124.215 119.914 -0.312 0.000 2.688 449 V HA -0.183 3.937 4.120 -0.001 0.000 0.256 449 V C 1.819 177.645 176.094 -0.446 0.000 1.084 449 V CA 1.923 63.951 62.300 -0.452 0.000 1.103 449 V CB -0.249 31.156 31.823 -0.697 0.000 0.688 449 V HN 0.642 nan 8.190 nan 0.000 0.480 450 K N -0.681 119.439 120.400 -0.466 0.000 2.362 450 K HA 0.030 4.349 4.320 -0.001 0.000 0.200 450 K C 0.438 177.026 176.600 -0.021 0.000 1.046 450 K CA 0.388 56.511 56.287 -0.272 0.000 0.952 450 K CB 0.088 32.489 32.500 -0.166 0.000 0.753 450 K HN 0.386 nan 8.250 nan 0.000 0.466 451 V N 2.664 122.570 119.914 -0.014 0.000 2.435 451 V HA 0.191 4.311 4.120 -0.001 0.000 0.290 451 V C -2.446 173.713 176.094 0.109 0.000 1.030 451 V CA -2.555 59.766 62.300 0.035 0.000 0.881 451 V CB 1.425 33.237 31.823 -0.017 0.000 0.983 451 V HN -0.063 nan 8.190 nan 0.000 0.445 452 P HA -0.022 nan 4.420 nan 0.000 0.261 452 P C -0.246 177.139 177.300 0.141 0.000 1.183 452 P CA 0.253 63.436 63.100 0.138 0.000 0.761 452 P CB 0.234 31.977 31.700 0.072 0.000 0.785 453 Q N 3.785 123.722 119.800 0.227 0.000 2.247 453 Q HA -0.109 4.231 4.340 -0.001 0.000 0.288 453 Q C 0.031 176.138 176.000 0.179 0.000 1.079 453 Q CA 0.646 56.596 55.803 0.246 0.000 0.932 453 Q CB -0.124 28.830 28.738 0.361 0.000 1.133 453 Q HN 0.485 nan 8.270 nan 0.000 0.377 454 D N 1.775 122.276 120.400 0.168 0.000 2.792 454 D HA -0.281 4.359 4.640 -0.001 0.000 0.192 454 D C 0.884 177.174 176.300 -0.017 0.000 1.007 454 D CA 1.453 55.538 54.000 0.140 0.000 1.020 454 D CB -0.783 40.085 40.800 0.113 0.000 1.089 454 D HN 0.835 nan 8.370 nan 0.000 0.438 455 Q N 0.444 120.227 119.800 -0.029 0.000 2.135 455 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 455 Q C 1.653 177.596 176.000 -0.096 0.000 0.981 455 Q CA 1.895 57.657 55.803 -0.070 0.000 0.856 455 Q CB 0.077 28.799 28.738 -0.027 0.000 0.902 455 Q HN 0.318 nan 8.270 nan 0.000 0.425 456 N N -0.265 118.358 118.700 -0.128 0.000 2.135 456 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 456 N C 1.467 176.831 175.510 -0.244 0.000 1.027 456 N CA 1.167 54.113 53.050 -0.175 0.000 0.849 456 N CB -0.532 37.822 38.487 -0.221 0.000 1.002 456 N HN 0.249 nan 8.380 nan 0.000 0.425 457 F N 1.159 120.958 119.950 -0.251 0.000 2.126 457 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 457 F C 2.646 178.051 175.800 -0.657 0.000 1.096 457 F CA 1.594 59.263 58.000 -0.551 0.000 1.255 457 F CB -0.691 37.980 39.000 -0.548 0.000 0.997 457 F HN 0.174 nan 8.300 nan 0.000 0.479 458 T N -4.287 110.082 114.554 -0.307 0.000 2.978 458 T HA -0.073 4.277 4.350 -0.001 0.000 0.262 458 T C 1.826 176.430 174.700 -0.159 0.000 1.063 458 T CA 1.405 63.268 62.100 -0.396 0.000 1.140 458 T CB -0.796 67.896 68.868 -0.293 0.000 0.886 458 T HN 0.120 nan 8.240 nan 0.000 0.470 459 T N 2.480 116.970 114.554 -0.107 0.000 2.708 459 T HA 0.083 4.432 4.350 -0.001 0.000 0.266 459 T C 1.904 176.597 174.700 -0.012 0.000 1.037 459 T CA 1.500 63.580 62.100 -0.034 0.000 1.146 459 T CB -0.454 68.393 68.868 -0.034 0.000 0.865 459 T HN 0.396 nan 8.240 nan 0.000 0.435 460 I N 1.373 121.924 120.570 -0.031 0.000 2.202 460 I HA -0.132 4.038 4.170 -0.001 0.000 0.242 460 I C 2.957 179.159 176.117 0.142 0.000 1.091 460 I CA 1.066 62.409 61.300 0.072 0.000 1.368 460 I CB -0.550 37.550 38.000 0.168 0.000 1.058 460 I HN 0.171 nan 8.210 nan 0.000 0.410 461 A N 0.917 123.727 122.820 -0.017 0.000 1.908 461 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 461 A C 2.411 180.105 177.584 0.184 0.000 1.181 461 A CA 1.671 53.745 52.037 0.060 0.000 0.627 461 A CB -0.620 18.143 19.000 -0.394 0.000 0.818 461 A HN 0.311 nan 8.150 nan 0.000 0.445 462 R N -0.621 119.991 120.500 0.186 0.000 2.073 462 R HA -0.167 4.173 4.340 -0.001 0.000 0.234 462 R C 2.361 178.744 176.300 0.139 0.000 1.134 462 R CA 1.873 58.106 56.100 0.222 0.000 0.952 462 R CB -0.230 30.179 30.300 0.182 0.000 0.850 462 R HN 0.580 nan 8.270 nan 0.000 0.433 463 K N 1.000 121.463 120.400 0.106 0.000 2.097 463 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 463 K C 1.840 178.492 176.600 0.087 0.000 1.050 463 K CA 1.198 57.533 56.287 0.080 0.000 0.938 463 K CB -0.128 32.406 32.500 0.058 0.000 0.718 463 K HN 0.099 nan 8.250 nan 0.000 0.442 464 L N 0.459 121.750 121.223 0.113 0.000 2.056 464 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 464 L C 2.349 179.281 176.870 0.104 0.000 1.078 464 L CA 1.043 55.946 54.840 0.105 0.000 0.749 464 L CB -0.479 41.659 42.059 0.133 0.000 0.901 464 L HN 0.187 nan 8.230 nan 0.000 0.433 465 L N -0.516 120.787 121.223 0.133 0.000 2.093 465 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 465 L C 2.697 179.614 176.870 0.079 0.000 1.085 465 L CA 0.918 55.828 54.840 0.116 0.000 0.755 465 L CB -0.494 41.655 42.059 0.149 0.000 0.904 465 L HN 0.157 nan 8.230 nan 0.000 0.435 466 K N -0.080 120.365 120.400 0.075 0.000 2.147 466 K HA -0.141 4.179 4.320 -0.001 0.000 0.205 466 K C 1.824 178.453 176.600 0.050 0.000 1.049 466 K CA 1.045 57.364 56.287 0.054 0.000 0.936 466 K CB -0.165 32.365 32.500 0.050 0.000 0.722 466 K HN 0.309 nan 8.250 nan 0.000 0.446 467 Q N 0.740 120.574 119.800 0.057 0.000 2.322 467 Q HA 0.041 4.381 4.340 -0.001 0.000 0.203 467 Q C -0.367 175.665 176.000 0.053 0.000 0.923 467 Q CA -0.008 55.828 55.803 0.055 0.000 0.949 467 Q CB 0.017 28.791 28.738 0.060 0.000 1.039 467 Q HN 0.231 nan 8.270 nan 0.000 0.496 468 N N -0.987 117.743 118.700 0.049 0.000 2.829 468 N HA -0.139 4.601 4.740 -0.001 0.000 0.250 468 N C -0.709 174.825 175.510 0.040 0.000 1.090 468 N CA 0.434 53.509 53.050 0.042 0.000 0.781 468 N CB -1.796 36.714 38.487 0.038 0.000 1.124 468 N HN 0.027 nan 8.380 nan 0.000 0.559 469 V N 1.367 121.309 119.914 0.046 0.000 2.530 469 V HA 0.169 4.289 4.120 -0.001 0.000 0.282 469 V C 0.950 177.066 176.094 0.036 0.000 1.048 469 V CA -0.691 61.630 62.300 0.035 0.000 0.997 469 V CB 1.390 33.232 31.823 0.032 0.000 0.987 469 V HN 0.215 nan 8.190 nan 0.000 0.477 470 L N 7.575 128.808 121.223 0.018 0.000 2.456 470 L HA 0.286 4.626 4.340 -0.001 0.000 0.277 470 L C -0.113 176.767 176.870 0.015 0.000 1.124 470 L CA 0.747 55.593 54.840 0.010 0.000 0.880 470 L CB 0.638 42.692 42.059 -0.007 0.000 1.192 470 L HN 0.447 nan 8.230 nan 0.000 0.463 471 V N 6.455 126.398 119.914 0.048 0.000 2.394 471 V HA 0.561 4.681 4.120 -0.001 0.000 0.282 471 V C 0.006 176.143 176.094 0.072 0.000 1.031 471 V CA -0.446 61.906 62.300 0.086 0.000 0.881 471 V CB 1.528 33.475 31.823 0.206 0.000 0.982 471 V HN 0.658 nan 8.190 nan 0.000 0.451 472 V N 2.098 122.047 119.914 0.058 0.000 2.960 472 V HA 1.093 5.213 4.120 -0.001 0.000 0.315 472 V C -0.208 175.944 176.094 0.096 0.000 1.087 472 V CA -0.655 61.683 62.300 0.063 0.000 0.982 472 V CB 1.795 33.641 31.823 0.038 0.000 1.039 472 V HN 1.226 nan 8.190 nan 0.000 0.437 473 A N 2.159 125.032 122.820 0.088 0.000 2.594 473 A HA 0.997 5.317 4.320 -0.001 0.000 0.295 473 A C -0.299 177.293 177.584 0.014 0.000 1.071 473 A CA -0.033 52.031 52.037 0.044 0.000 0.685 473 A CB 1.894 20.866 19.000 -0.045 0.000 1.285 473 A HN 2.023 nan 8.150 nan 0.000 0.405 474 T N -1.722 112.821 114.554 -0.018 0.000 2.865 474 T HA 0.824 5.174 4.350 -0.001 0.000 0.294 474 T C 0.873 175.538 174.700 -0.057 0.000 1.119 474 T CA 0.437 62.547 62.100 0.017 0.000 1.007 474 T CB 0.948 69.868 68.868 0.086 0.000 1.225 474 T HN 2.664 nan 8.240 nan 0.000 0.515 475 G N -0.023 108.788 108.800 0.018 0.000 2.634 475 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.309 475 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.309 475 G C 1.102 175.928 174.900 -0.122 0.000 1.265 475 G CA 0.402 45.512 45.100 0.016 0.000 0.998 475 G HN 1.393 nan 8.290 nan 0.000 0.551 476 C N 1.617 120.853 119.300 -0.107 0.000 2.626 476 C HA 0.425 4.885 4.460 -0.001 0.000 0.266 476 C C 2.848 177.523 174.990 -0.524 0.000 1.317 476 C CA 0.831 59.705 59.018 -0.241 0.000 1.716 476 C CB -1.147 26.581 27.740 -0.021 0.000 1.819 476 C HN 1.033 nan 8.230 nan 0.000 0.578 477 G N 0.956 109.399 108.800 -0.595 0.000 2.394 477 G HA2 0.041 4.000 3.960 -0.001 0.000 0.215 477 G HA3 0.041 4.000 3.960 -0.001 0.000 0.215 477 G C 1.863 176.246 174.900 -0.863 0.000 1.165 477 G CA 0.897 45.239 45.100 -1.263 0.000 0.784 477 G HN 0.536 nan 8.290 nan 0.000 0.535 478 A N 1.033 123.511 122.820 -0.570 0.000 1.908 478 A HA 0.117 4.436 4.320 -0.001 0.000 0.218 478 A C 2.692 179.900 177.584 -0.627 0.000 1.181 478 A CA 2.166 53.826 52.037 -0.629 0.000 0.627 478 A CB -1.133 17.268 19.000 -0.997 0.000 0.818 478 A HN 0.525 nan 8.150 nan 0.000 0.445 479 G N -0.431 107.920 108.800 -0.747 0.000 2.446 479 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.217 479 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.217 479 G C 1.784 176.310 174.900 -0.622 0.000 1.168 479 G CA 1.685 46.087 45.100 -1.164 0.000 0.771 479 G HN 0.842 nan 8.290 nan 0.000 0.551 480 A N 0.493 122.985 122.820 -0.546 0.000 1.877 480 A HA 0.069 4.389 4.320 -0.001 0.000 0.216 480 A C 2.466 179.952 177.584 -0.164 0.000 1.186 480 A CA 1.467 53.339 52.037 -0.275 0.000 0.620 480 A CB -0.430 18.338 19.000 -0.387 0.000 0.822 480 A HN 0.363 nan 8.150 nan 0.000 0.443 481 L N -0.481 120.518 121.223 -0.372 0.000 2.109 481 L HA -0.162 4.177 4.340 -0.001 0.000 0.207 481 L C 2.904 179.791 176.870 0.027 0.000 1.086 481 L CA 1.490 56.165 54.840 -0.275 0.000 0.760 481 L CB -0.600 41.207 42.059 -0.420 0.000 0.910 481 L HN 0.701 nan 8.230 nan 0.000 0.437 482 M N -0.667 118.896 119.600 -0.061 0.000 2.159 482 M HA -0.177 4.303 4.480 -0.001 0.000 0.263 482 M C 2.124 178.461 176.300 0.062 0.000 1.063 482 M CA 1.743 57.066 55.300 0.038 0.000 1.110 482 M CB -0.527 32.086 32.600 0.023 0.000 1.374 482 M HN 0.003 nan 8.290 nan 0.000 0.411 483 R N -0.486 120.022 120.500 0.012 0.000 2.280 483 R HA 0.004 4.344 4.340 -0.001 0.000 0.207 483 R C 0.835 177.020 176.300 -0.192 0.000 1.043 483 R CA 0.666 56.722 56.100 -0.072 0.000 1.006 483 R CB -0.219 30.017 30.300 -0.107 0.000 0.885 483 R HN 0.638 nan 8.270 nan 0.000 0.467 484 H N -1.389 117.765 119.070 0.140 0.000 2.528 484 H HA 0.188 4.744 4.556 -0.001 0.000 0.282 484 H C 0.930 176.385 175.328 0.212 0.000 1.097 484 H CA 0.630 56.802 56.048 0.207 0.000 1.121 484 H CB 1.440 31.379 29.762 0.294 0.000 1.590 484 H HN 0.416 nan 8.280 nan 0.000 0.553 485 G N 0.874 109.804 108.800 0.215 0.000 2.157 485 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.239 485 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.239 485 G C 0.549 175.470 174.900 0.034 0.000 0.982 485 G CA -0.042 45.100 45.100 0.069 0.000 0.650 485 G HN 0.312 nan 8.290 nan 0.000 0.527 486 F N -0.182 119.788 119.950 0.033 0.000 2.802 486 F HA 0.458 4.984 4.527 -0.000 0.000 0.300 486 F C 2.252 178.071 175.800 0.031 0.000 1.168 486 F CA 1.063 59.076 58.000 0.022 0.000 1.433 486 F CB 0.190 39.188 39.000 -0.002 0.000 1.115 486 F HN 0.208 nan 8.300 nan 0.000 0.582 487 M N -0.875 118.835 119.600 0.183 0.000 2.484 487 M HA 0.126 4.606 4.480 -0.001 0.000 0.307 487 M C -0.421 175.950 176.300 0.119 0.000 1.149 487 M CA 0.069 55.464 55.300 0.158 0.000 0.972 487 M CB 0.152 32.857 32.600 0.174 0.000 1.400 487 M HN -0.256 nan 8.290 nan 0.000 0.508 488 D N 0.073 120.517 120.400 0.074 0.000 2.329 488 D HA 0.289 4.929 4.640 -0.001 0.000 0.232 488 D C -2.007 174.311 176.300 0.030 0.000 1.088 488 D CA -2.156 51.872 54.000 0.047 0.000 0.835 488 D CB 1.994 42.807 40.800 0.022 0.000 1.078 488 D HN -0.064 nan 8.370 nan 0.000 0.495 489 P HA -0.069 nan 4.420 nan 0.000 0.221 489 P C 0.889 178.195 177.300 0.010 0.000 1.145 489 P CA 0.790 63.909 63.100 0.032 0.000 0.795 489 P CB 0.161 31.888 31.700 0.046 0.000 0.775 490 A N -0.579 122.243 122.820 0.004 0.000 2.172 490 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 490 A C 1.641 179.210 177.584 -0.025 0.000 1.154 490 A CA 1.272 53.305 52.037 -0.007 0.000 0.701 490 A CB -1.421 17.576 19.000 -0.006 0.000 0.789 490 A HN 0.286 nan 8.150 nan 0.000 0.465 491 N N -0.977 117.699 118.700 -0.041 0.000 2.230 491 N HA 0.161 4.900 4.740 -0.001 0.000 0.202 491 N C 0.953 176.420 175.510 -0.072 0.000 1.119 491 N CA 0.008 53.012 53.050 -0.078 0.000 0.851 491 N CB 0.597 39.000 38.487 -0.141 0.000 0.990 491 N HN 0.187 nan 8.380 nan 0.000 0.497 492 V N 1.197 121.088 119.914 -0.037 0.000 2.343 492 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 492 V C 1.594 177.674 176.094 -0.024 0.000 1.051 492 V CA 1.722 64.007 62.300 -0.024 0.000 1.036 492 V CB -0.278 31.541 31.823 -0.006 0.000 0.654 492 V HN 0.333 nan 8.190 nan 0.000 0.451 493 D N -0.270 120.117 120.400 -0.021 0.000 2.116 493 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 493 D C 2.148 178.434 176.300 -0.024 0.000 0.998 493 D CA 1.717 55.706 54.000 -0.018 0.000 0.836 493 D CB -0.201 40.590 40.800 -0.015 0.000 0.951 493 D HN 0.614 nan 8.370 nan 0.000 0.449 494 E N 0.066 120.242 120.200 -0.040 0.000 2.072 494 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 494 E C 2.184 178.753 176.600 -0.051 0.000 0.985 494 E CA 0.532 56.903 56.400 -0.048 0.000 0.801 494 E CB 0.052 29.710 29.700 -0.070 0.000 0.750 494 E HN 0.233 nan 8.360 nan 0.000 0.452 495 L N 0.155 121.337 121.223 -0.069 0.000 2.253 495 L HA 0.110 4.450 4.340 -0.001 0.000 0.205 495 L C 0.884 177.753 176.870 -0.002 0.000 1.078 495 L CA -0.177 54.627 54.840 -0.060 0.000 0.805 495 L CB 0.485 42.464 42.059 -0.134 0.000 0.963 495 L HN 0.159 nan 8.230 nan 0.000 0.459 496 C N 0.762 120.062 119.300 0.001 0.000 2.401 496 C HA 0.572 5.031 4.460 -0.001 0.000 0.365 496 C C 1.197 176.199 174.990 0.019 0.000 1.250 496 C CA -1.413 57.617 59.018 0.021 0.000 2.131 496 C CB 0.459 28.209 27.740 0.016 0.000 2.445 496 C HN 0.439 nan 8.230 nan 0.000 0.550 497 G N 1.991 110.808 108.800 0.028 0.000 2.664 497 G HA2 0.136 4.095 3.960 -0.001 0.000 0.242 497 G HA3 0.136 4.095 3.960 -0.001 0.000 0.242 497 G C 0.501 175.411 174.900 0.017 0.000 1.225 497 G CA -0.045 45.069 45.100 0.023 0.000 0.849 497 G HN 0.818 nan 8.290 nan 0.000 0.581 498 D N 0.983 121.391 120.400 0.014 0.000 2.104 498 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 498 D C 2.560 178.867 176.300 0.011 0.000 0.994 498 D CA 1.703 55.709 54.000 0.010 0.000 0.830 498 D CB -0.664 40.141 40.800 0.008 0.000 0.959 498 D HN 0.475 nan 8.370 nan 0.000 0.452 499 G N 1.125 109.933 108.800 0.014 0.000 2.459 499 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.217 499 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.217 499 G C 1.617 176.525 174.900 0.013 0.000 1.183 499 G CA 0.864 45.972 45.100 0.014 0.000 0.776 499 G HN 0.262 nan 8.290 nan 0.000 0.552 500 L N 0.957 122.190 121.223 0.017 0.000 2.012 500 L HA 0.003 4.343 4.340 -0.001 0.000 0.210 500 L C 2.681 179.556 176.870 0.010 0.000 1.073 500 L CA 2.708 57.557 54.840 0.015 0.000 0.748 500 L CB -0.663 41.409 42.059 0.023 0.000 0.891 500 L HN 0.309 nan 8.230 nan 0.000 0.431 501 K N -0.632 119.774 120.400 0.010 0.000 2.044 501 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 501 K C 2.027 178.630 176.600 0.005 0.000 1.049 501 K CA 1.635 57.926 56.287 0.007 0.000 0.927 501 K CB -0.377 32.127 32.500 0.006 0.000 0.713 501 K HN 0.474 nan 8.250 nan 0.000 0.443 502 A N 0.486 123.310 122.820 0.006 0.000 1.892 502 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 502 A C 2.271 179.858 177.584 0.005 0.000 1.188 502 A CA 2.081 54.121 52.037 0.006 0.000 0.631 502 A CB -0.794 18.210 19.000 0.007 0.000 0.822 502 A HN 0.204 nan 8.150 nan 0.000 0.447 503 V N -0.068 119.849 119.914 0.004 0.000 2.323 503 V HA -0.209 3.910 4.120 -0.001 0.000 0.244 503 V C 2.549 178.641 176.094 -0.003 0.000 1.041 503 V CA 1.804 64.105 62.300 0.001 0.000 1.025 503 V CB -0.744 31.079 31.823 0.000 0.000 0.656 503 V HN 0.563 nan 8.190 nan 0.000 0.451 504 L N -0.249 120.970 121.223 -0.006 0.000 2.083 504 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 504 L C 2.568 179.438 176.870 0.000 0.000 1.083 504 L CA 1.845 56.678 54.840 -0.012 0.000 0.752 504 L CB -0.955 41.096 42.059 -0.013 0.000 0.899 504 L HN 0.366 nan 8.230 nan 0.000 0.433 505 T N -0.268 114.289 114.554 0.005 0.000 2.812 505 T HA -0.056 4.294 4.350 -0.001 0.000 0.264 505 T C 2.084 176.791 174.700 0.011 0.000 1.042 505 T CA 1.079 63.184 62.100 0.009 0.000 1.140 505 T CB -0.176 68.697 68.868 0.008 0.000 0.870 505 T HN 0.409 nan 8.240 nan 0.000 0.445 506 A N 1.468 124.293 122.820 0.009 0.000 1.892 506 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 506 A C 2.253 179.845 177.584 0.014 0.000 1.188 506 A CA 1.504 53.547 52.037 0.010 0.000 0.631 506 A CB -0.869 18.136 19.000 0.009 0.000 0.822 506 A HN 0.545 nan 8.150 nan 0.000 0.447 507 I N -0.587 119.991 120.570 0.012 0.000 2.315 507 I HA -0.129 4.041 4.170 -0.001 0.000 0.248 507 I C 2.659 178.795 176.117 0.030 0.000 1.117 507 I CA 1.007 62.318 61.300 0.019 0.000 1.404 507 I CB -0.603 37.403 38.000 0.011 0.000 1.071 507 I HN 0.378 nan 8.210 nan 0.000 0.419 508 G N 0.323 109.141 108.800 0.030 0.000 2.402 508 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 508 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 508 G C 1.519 176.441 174.900 0.037 0.000 1.162 508 G CA 0.390 45.517 45.100 0.044 0.000 0.777 508 G HN 0.374 nan 8.290 nan 0.000 0.539 509 E N 0.484 120.700 120.200 0.027 0.000 2.085 509 E HA -0.106 4.244 4.350 -0.001 0.000 0.194 509 E C 2.808 179.422 176.600 0.023 0.000 0.994 509 E CA 0.898 57.312 56.400 0.022 0.000 0.801 509 E CB -0.172 29.538 29.700 0.017 0.000 0.743 509 E HN 0.418 nan 8.360 nan 0.000 0.453 510 A N 0.998 123.832 122.820 0.023 0.000 2.119 510 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 510 A C 1.479 179.079 177.584 0.027 0.000 1.153 510 A CA 0.727 52.777 52.037 0.023 0.000 0.692 510 A CB -0.073 18.940 19.000 0.022 0.000 0.799 510 A HN 0.142 nan 8.150 nan 0.000 0.458 511 N N -0.012 118.709 118.700 0.034 0.000 2.251 511 N HA 0.162 4.902 4.740 -0.001 0.000 0.217 511 N C 0.577 176.106 175.510 0.033 0.000 1.124 511 N CA 0.627 53.701 53.050 0.039 0.000 0.843 511 N CB 0.308 38.830 38.487 0.058 0.000 1.024 511 N HN 0.495 nan 8.380 nan 0.000 0.501 512 G N 2.017 110.833 108.800 0.027 0.000 2.370 512 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.293 512 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.293 512 G C 0.428 175.342 174.900 0.023 0.000 0.992 512 G CA 0.543 45.656 45.100 0.021 0.000 1.247 512 G HN 0.461 nan 8.290 nan 0.000 0.505 513 L N -2.357 118.881 121.223 0.026 0.000 3.410 513 L HA 0.666 5.005 4.340 -0.001 0.000 0.309 513 L C 1.556 178.440 176.870 0.023 0.000 1.254 513 L CA 0.558 55.414 54.840 0.026 0.000 1.048 513 L CB 0.056 42.136 42.059 0.036 0.000 1.442 513 L HN 1.487 nan 8.230 nan 0.000 0.615 514 G N -0.554 108.258 108.800 0.020 0.000 2.296 514 G HA2 0.048 4.008 3.960 -0.001 0.000 0.282 514 G HA3 0.048 4.008 3.960 -0.001 0.000 0.282 514 G C 0.447 175.357 174.900 0.017 0.000 1.014 514 G CA 0.556 45.666 45.100 0.017 0.000 0.812 514 G HN 1.215 nan 8.290 nan 0.000 0.508 515 G N -1.442 107.371 108.800 0.022 0.000 2.576 515 G HA2 0.771 4.730 3.960 -0.001 0.000 0.290 515 G HA3 0.771 4.730 3.960 -0.001 0.000 0.290 515 G C -3.159 171.758 174.900 0.028 0.000 1.442 515 G CA -0.152 44.962 45.100 0.022 0.000 0.792 515 G HN 0.251 nan 8.290 nan 0.000 0.491 516 P HA 0.375 nan 4.420 nan 0.000 0.276 516 P C 0.325 177.649 177.300 0.040 0.000 1.261 516 P CA -0.462 62.653 63.100 0.025 0.000 0.800 516 P CB 1.152 32.861 31.700 0.015 0.000 1.066 517 L N 1.312 122.554 121.223 0.031 0.000 2.479 517 L HA 0.161 4.500 4.340 -0.001 0.000 0.270 517 L C -1.526 175.359 176.870 0.025 0.000 1.236 517 L CA -1.551 53.309 54.840 0.034 0.000 0.823 517 L CB -0.612 41.407 42.059 -0.068 0.000 1.098 517 L HN 0.318 nan 8.230 nan 0.000 0.500 518 P HA 0.104 nan 4.420 nan 0.000 0.273 518 P C -2.338 174.976 177.300 0.024 0.000 1.250 518 P CA -1.399 61.737 63.100 0.059 0.000 0.793 518 P CB -0.085 31.693 31.700 0.130 0.000 1.011 519 P HA -0.058 nan 4.420 nan 0.000 0.218 519 P C 0.036 177.393 177.300 0.093 0.000 1.149 519 P CA 1.283 64.420 63.100 0.062 0.000 0.817 519 P CB 0.181 31.921 31.700 0.067 0.000 0.785 520 V N 0.094 120.074 119.914 0.111 0.000 2.656 520 V HA 0.254 4.373 4.120 -0.001 0.000 0.307 520 V C -0.253 175.877 176.094 0.060 0.000 1.051 520 V CA -0.824 61.540 62.300 0.107 0.000 0.893 520 V CB 2.336 34.250 31.823 0.152 0.000 0.999 520 V HN -0.160 nan 8.190 nan 0.000 0.426 521 L N 4.358 125.581 121.223 0.000 0.000 2.257 521 L HA 0.456 4.796 4.340 -0.001 0.000 0.290 521 L C -0.246 176.747 176.870 0.204 0.000 1.044 521 L CA -0.594 54.215 54.840 -0.051 0.000 0.810 521 L CB 0.699 42.590 42.059 -0.280 0.000 1.193 521 L HN 0.656 nan 8.230 nan 0.000 0.425 522 H N 5.196 124.426 119.070 0.267 0.000 2.782 522 H HA 0.249 4.804 4.556 -0.001 0.000 0.285 522 H C 0.247 175.698 175.328 0.205 0.000 1.093 522 H CA -0.290 55.872 56.048 0.189 0.000 1.410 522 H CB 1.202 31.057 29.762 0.155 0.000 1.439 522 H HN 0.597 nan 8.280 nan 0.000 0.469 523 M N 3.566 123.427 119.600 0.433 0.000 2.428 523 M HA 0.209 4.689 4.480 -0.001 0.000 0.239 523 M C 0.870 177.278 176.300 0.181 0.000 1.121 523 M CA 0.603 56.048 55.300 0.241 0.000 1.019 523 M CB 0.622 33.322 32.600 0.167 0.000 1.485 523 M HN 0.835 nan 8.290 nan 0.000 0.484 524 G N 0.404 109.389 108.800 0.307 0.000 2.297 524 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.209 524 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.209 524 G C -0.462 174.588 174.900 0.251 0.000 1.267 524 G CA -0.320 44.867 45.100 0.144 0.000 1.127 524 G HN 0.376 nan 8.290 nan 0.000 0.498 525 S N -1.150 114.636 115.700 0.143 0.000 2.640 525 S HA 0.388 4.857 4.470 -0.001 0.000 0.262 525 S C 1.620 176.295 174.600 0.125 0.000 1.232 525 S CA 0.563 58.848 58.200 0.141 0.000 0.988 525 S CB 0.842 64.120 63.200 0.129 0.000 1.034 525 S HN 1.417 nan 8.310 nan 0.000 0.569 526 C N 0.391 119.779 119.300 0.146 0.000 2.435 526 C HA -0.011 4.449 4.460 -0.001 0.000 0.279 526 C C 2.817 177.827 174.990 0.035 0.000 1.321 526 C CA 0.421 59.515 59.018 0.127 0.000 1.752 526 C CB -1.819 26.051 27.740 0.217 0.000 1.959 526 C HN 0.789 nan 8.230 nan 0.000 0.500 527 V N 0.225 120.125 119.914 -0.024 0.000 2.490 527 V HA -0.169 3.950 4.120 -0.001 0.000 0.250 527 V C 1.527 177.588 176.094 -0.054 0.000 1.061 527 V CA 2.365 64.580 62.300 -0.140 0.000 1.064 527 V CB -0.901 30.797 31.823 -0.209 0.000 0.670 527 V HN 0.338 nan 8.190 nan 0.000 0.461 528 D N 0.947 121.348 120.400 0.001 0.000 2.392 528 D HA -0.071 4.569 4.640 -0.001 0.000 0.228 528 D C 1.842 178.167 176.300 0.042 0.000 1.003 528 D CA 0.536 54.540 54.000 0.007 0.000 0.917 528 D CB -0.594 40.231 40.800 0.041 0.000 0.890 528 D HN 0.499 nan 8.370 nan 0.000 0.532 529 N N 0.376 119.132 118.700 0.094 0.000 2.258 529 N HA -0.158 4.581 4.740 -0.001 0.000 0.187 529 N C 1.764 177.383 175.510 0.182 0.000 1.012 529 N CA 1.077 54.239 53.050 0.186 0.000 0.870 529 N CB -0.152 38.519 38.487 0.306 0.000 0.977 529 N HN 0.270 nan 8.380 nan 0.000 0.434 530 S N 0.936 116.647 115.700 0.019 0.000 2.419 530 S HA -0.076 4.394 4.470 -0.001 0.000 0.235 530 S C 1.828 176.275 174.600 -0.254 0.000 1.019 530 S CA 0.563 58.650 58.200 -0.189 0.000 0.982 530 S CB -0.189 62.763 63.200 -0.413 0.000 0.789 530 S HN 0.308 nan 8.310 nan 0.000 0.490 531 R N 1.434 121.839 120.500 -0.158 0.000 2.092 531 R HA 0.095 4.435 4.340 -0.001 0.000 0.231 531 R C 2.789 179.081 176.300 -0.014 0.000 1.119 531 R CA 1.228 57.265 56.100 -0.106 0.000 0.970 531 R CB -0.816 29.462 30.300 -0.036 0.000 0.864 531 R HN 0.579 nan 8.270 nan 0.000 0.440 532 A N 0.948 123.791 122.820 0.039 0.000 1.902 532 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 532 A C 2.392 180.024 177.584 0.081 0.000 1.181 532 A CA 1.352 53.432 52.037 0.070 0.000 0.623 532 A CB -0.529 18.527 19.000 0.093 0.000 0.818 532 A HN 0.101 nan 8.150 nan 0.000 0.443 533 V N -0.035 119.940 119.914 0.101 0.000 2.287 533 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 533 V C 3.072 179.230 176.094 0.106 0.000 1.053 533 V CA 2.048 64.415 62.300 0.111 0.000 1.027 533 V CB -1.367 30.507 31.823 0.085 0.000 0.646 533 V HN 0.623 nan 8.190 nan 0.000 0.447 534 A N -0.226 122.655 122.820 0.102 0.000 1.908 534 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 534 A C 2.179 179.806 177.584 0.073 0.000 1.181 534 A CA 2.260 54.370 52.037 0.122 0.000 0.627 534 A CB -0.609 18.443 19.000 0.087 0.000 0.818 534 A HN 0.450 nan 8.150 nan 0.000 0.445 535 L N -0.123 121.131 121.223 0.052 0.000 1.994 535 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 535 L C 2.443 179.337 176.870 0.039 0.000 1.071 535 L CA 2.051 56.917 54.840 0.042 0.000 0.745 535 L CB -0.737 41.344 42.059 0.038 0.000 0.892 535 L HN 0.154 nan 8.230 nan 0.000 0.431 536 V N 0.243 120.183 119.914 0.043 0.000 2.287 536 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 536 V C 2.822 178.937 176.094 0.034 0.000 1.053 536 V CA 1.716 64.037 62.300 0.036 0.000 1.027 536 V CB -1.386 30.463 31.823 0.043 0.000 0.646 536 V HN 0.628 nan 8.190 nan 0.000 0.447 537 A N -0.126 122.719 122.820 0.042 0.000 1.940 537 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 537 A C 2.412 180.010 177.584 0.024 0.000 1.176 537 A CA 2.186 54.241 52.037 0.031 0.000 0.631 537 A CB -0.749 18.272 19.000 0.036 0.000 0.814 537 A HN 0.591 nan 8.150 nan 0.000 0.446 538 A N -0.359 122.479 122.820 0.031 0.000 1.898 538 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 538 A C 2.174 179.768 177.584 0.018 0.000 1.181 538 A CA 1.419 53.470 52.037 0.024 0.000 0.620 538 A CB -0.559 18.459 19.000 0.029 0.000 0.819 538 A HN 0.471 nan 8.150 nan 0.000 0.442 539 L N -0.769 120.465 121.223 0.019 0.000 2.017 539 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 539 L C 3.148 180.026 176.870 0.012 0.000 1.073 539 L CA 1.127 55.976 54.840 0.015 0.000 0.745 539 L CB -0.600 41.468 42.059 0.015 0.000 0.894 539 L HN 0.448 nan 8.230 nan 0.000 0.432 540 A N 0.442 123.269 122.820 0.013 0.000 1.883 540 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 540 A C 1.998 179.586 177.584 0.006 0.000 1.186 540 A CA 2.384 54.426 52.037 0.009 0.000 0.624 540 A CB -0.972 18.034 19.000 0.009 0.000 0.822 540 A HN 0.551 nan 8.150 nan 0.000 0.444 541 N N -1.208 117.495 118.700 0.005 0.000 2.166 541 N HA -0.199 4.540 4.740 -0.001 0.000 0.186 541 N C 1.967 177.479 175.510 0.003 0.000 1.019 541 N CA 1.332 54.383 53.050 0.001 0.000 0.856 541 N CB -0.121 38.365 38.487 -0.001 0.000 0.993 541 N HN 0.455 nan 8.380 nan 0.000 0.426 542 R N 0.880 121.383 120.500 0.006 0.000 2.148 542 R HA 0.058 4.398 4.340 -0.001 0.000 0.223 542 R C 1.440 177.744 176.300 0.007 0.000 1.088 542 R CA 0.897 57.001 56.100 0.007 0.000 0.985 542 R CB -0.214 30.092 30.300 0.009 0.000 0.880 542 R HN 0.126 nan 8.270 nan 0.000 0.451 543 L N -0.304 120.923 121.223 0.007 0.000 2.446 543 L HA 0.324 4.664 4.340 -0.001 0.000 0.219 543 L C 1.047 177.921 176.870 0.006 0.000 1.116 543 L CA 1.586 56.431 54.840 0.008 0.000 0.844 543 L CB -0.895 41.170 42.059 0.009 0.000 0.970 543 L HN 0.574 nan 8.230 nan 0.000 0.457 544 G N 0.485 109.288 108.800 0.004 0.000 2.176 544 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.252 544 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.252 544 G C 0.330 175.232 174.900 0.004 0.000 1.024 544 G CA 0.581 45.683 45.100 0.003 0.000 0.755 544 G HN 0.398 nan 8.290 nan 0.000 0.507 545 V N -3.864 116.054 119.914 0.005 0.000 3.158 545 V HA 0.912 5.031 4.120 -0.001 0.000 0.315 545 V C 0.260 176.357 176.094 0.006 0.000 1.148 545 V CA -0.888 61.416 62.300 0.007 0.000 1.042 545 V CB 2.054 33.882 31.823 0.009 0.000 1.101 545 V HN 0.148 nan 8.190 nan 0.000 0.448 546 D N -0.376 120.029 120.400 0.008 0.000 2.423 546 D HA 0.362 5.001 4.640 -0.001 0.000 0.255 546 D C 0.879 177.186 176.300 0.010 0.000 1.174 546 D CA -0.353 53.653 54.000 0.009 0.000 1.008 546 D CB 1.436 42.243 40.800 0.012 0.000 1.101 546 D HN 0.458 nan 8.370 nan 0.000 0.516 547 L N 0.824 122.054 121.223 0.012 0.000 2.141 547 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 547 L C 1.641 178.516 176.870 0.008 0.000 1.094 547 L CA 1.245 56.092 54.840 0.012 0.000 0.763 547 L CB -0.762 41.307 42.059 0.018 0.000 0.908 547 L HN 0.514 nan 8.230 nan 0.000 0.437 548 D N -0.948 119.460 120.400 0.012 0.000 2.363 548 D HA -0.134 4.506 4.640 -0.001 0.000 0.226 548 D C 1.678 177.987 176.300 0.016 0.000 1.020 548 D CA 0.492 54.501 54.000 0.015 0.000 0.892 548 D CB -0.172 40.644 40.800 0.026 0.000 0.900 548 D HN 0.307 nan 8.370 nan 0.000 0.531 549 R N -0.294 120.213 120.500 0.011 0.000 2.334 549 R HA 0.297 4.637 4.340 -0.001 0.000 0.212 549 R C 0.461 176.764 176.300 0.004 0.000 0.897 549 R CA -0.258 55.847 56.100 0.009 0.000 1.056 549 R CB 0.702 31.008 30.300 0.010 0.000 1.046 549 R HN 0.173 nan 8.270 nan 0.000 0.513 550 L N 3.347 124.571 121.223 0.001 0.000 2.375 550 L HA 0.258 4.597 4.340 -0.001 0.000 0.271 550 L C -1.849 175.013 176.870 -0.013 0.000 1.107 550 L CA -1.984 52.855 54.840 -0.002 0.000 0.806 550 L CB 0.841 42.900 42.059 -0.001 0.000 1.146 550 L HN -0.244 nan 8.230 nan 0.000 0.447 551 P HA 0.129 nan 4.420 nan 0.000 0.225 551 P C -0.878 176.402 177.300 -0.033 0.000 1.813 551 P CA 0.045 63.132 63.100 -0.023 0.000 1.013 551 P CB 0.174 31.869 31.700 -0.009 0.000 1.961 552 V N 2.945 122.832 119.914 -0.045 0.000 2.577 552 V HA 0.443 4.563 4.120 -0.001 0.000 0.303 552 V C 0.461 176.499 176.094 -0.093 0.000 1.042 552 V CA -0.815 61.450 62.300 -0.058 0.000 0.872 552 V CB 2.425 34.226 31.823 -0.036 0.000 0.998 552 V HN 0.258 nan 8.190 nan 0.000 0.423 553 V N 1.620 121.461 119.914 -0.122 0.000 3.141 553 V HA 1.099 5.218 4.120 -0.001 0.000 0.312 553 V C -0.222 175.760 176.094 -0.187 0.000 1.157 553 V CA -0.839 61.361 62.300 -0.166 0.000 1.041 553 V CB 1.977 33.696 31.823 -0.173 0.000 1.071 553 V HN 1.195 nan 8.190 nan 0.000 0.441 554 A N 0.784 123.483 122.820 -0.200 0.000 2.454 554 A HA 0.928 5.247 4.320 -0.001 0.000 0.302 554 A C -0.434 177.051 177.584 -0.165 0.000 1.079 554 A CA -0.193 51.724 52.037 -0.200 0.000 0.731 554 A CB 1.926 20.815 19.000 -0.184 0.000 1.299 554 A HN 1.801 nan 8.150 nan 0.000 0.413 555 S N 0.448 116.059 115.700 -0.149 0.000 2.776 555 S HA 0.564 5.034 4.470 -0.001 0.000 0.284 555 S C -0.482 174.198 174.600 0.132 0.000 1.160 555 S CA 0.238 58.460 58.200 0.037 0.000 1.051 555 S CB 0.853 64.108 63.200 0.091 0.000 1.037 555 S HN 1.916 nan 8.310 nan 0.000 0.485 556 A N 4.186 127.016 122.820 0.016 0.000 3.094 556 A HA 0.663 4.982 4.320 -0.001 0.000 0.288 556 A C 1.352 178.845 177.584 -0.153 0.000 1.519 556 A CA 0.057 52.099 52.037 0.008 0.000 1.227 556 A CB -0.703 18.284 19.000 -0.023 0.000 1.175 556 A HN 1.222 nan 8.150 nan 0.000 0.568 557 A N 0.934 123.620 122.820 -0.222 0.000 2.066 557 A HA 0.026 4.345 4.320 -0.001 0.000 0.218 557 A C 0.972 178.267 177.584 -0.482 0.000 1.157 557 A CA 1.154 52.962 52.037 -0.381 0.000 0.670 557 A CB -0.016 18.671 19.000 -0.522 0.000 0.804 557 A HN 0.654 nan 8.150 nan 0.000 0.453 558 E N -0.365 119.530 120.200 -0.509 0.000 4.017 558 E HA 0.421 4.771 4.350 -0.001 0.000 0.205 558 E C -0.308 176.234 176.600 -0.095 0.000 1.054 558 E CA -0.300 55.940 56.400 -0.268 0.000 1.398 558 E CB 0.810 30.365 29.700 -0.243 0.000 1.164 558 E HN 0.469 nan 8.360 nan 0.000 0.445 559 A N 1.328 124.094 122.820 -0.090 0.000 2.531 559 A HA 0.153 4.473 4.320 -0.001 0.000 0.236 559 A C 0.723 178.294 177.584 -0.021 0.000 1.062 559 A CA 0.381 52.403 52.037 -0.025 0.000 0.760 559 A CB 0.483 19.451 19.000 -0.053 0.000 0.995 559 A HN 0.459 nan 8.150 nan 0.000 0.501 560 M N 0.934 120.550 119.600 0.027 0.000 2.394 560 M HA 0.113 4.593 4.480 -0.001 0.000 0.203 560 M C 0.456 176.776 176.300 0.034 0.000 1.713 560 M CA 0.303 55.611 55.300 0.015 0.000 1.063 560 M CB -0.295 32.325 32.600 0.033 0.000 1.431 560 M HN 0.916 nan 8.290 nan 0.000 0.572 561 H N 2.136 121.205 119.070 -0.001 0.000 2.615 561 H HA 0.126 4.682 4.556 -0.000 0.000 0.363 561 H C 0.376 175.695 175.328 -0.014 0.000 1.148 561 H CA 0.939 56.984 56.048 -0.006 0.000 1.401 561 H CB 1.204 30.971 29.762 0.009 0.000 1.461 561 H HN 0.363 nan 8.280 nan 0.000 0.588 562 E N 2.444 122.537 120.200 -0.178 0.000 2.130 562 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 562 E C 1.843 178.539 176.600 0.161 0.000 0.998 562 E CA 1.280 57.674 56.400 -0.011 0.000 0.806 562 E CB 0.202 29.843 29.700 -0.098 0.000 0.738 562 E HN 0.565 nan 8.360 nan 0.000 0.459 563 K N 0.235 120.868 120.400 0.389 0.000 2.103 563 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 563 K C 2.164 178.879 176.600 0.192 0.000 1.048 563 K CA 1.146 57.531 56.287 0.162 0.000 0.930 563 K CB -0.131 32.284 32.500 -0.143 0.000 0.716 563 K HN 0.077 nan 8.250 nan 0.000 0.444 564 A N 0.855 123.773 122.820 0.163 0.000 1.969 564 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 564 A C 2.308 179.917 177.584 0.042 0.000 1.169 564 A CA 1.154 53.247 52.037 0.093 0.000 0.635 564 A CB -0.449 18.605 19.000 0.089 0.000 0.810 564 A HN 0.069 nan 8.150 nan 0.000 0.445 565 V N -0.141 119.802 119.914 0.050 0.000 2.407 565 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 565 V C 3.032 179.163 176.094 0.062 0.000 1.055 565 V CA 1.822 64.140 62.300 0.031 0.000 1.049 565 V CB -1.172 30.653 31.823 0.004 0.000 0.662 565 V HN 0.609 nan 8.190 nan 0.000 0.455 566 A N 0.045 122.919 122.820 0.090 0.000 1.877 566 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 566 A C 2.187 179.761 177.584 -0.015 0.000 1.186 566 A CA 1.982 54.099 52.037 0.135 0.000 0.620 566 A CB -0.552 18.590 19.000 0.235 0.000 0.822 566 A HN 0.485 nan 8.150 nan 0.000 0.443 567 I N -0.277 120.190 120.570 -0.172 0.000 2.179 567 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 567 I C 2.709 178.309 176.117 -0.862 0.000 1.088 567 I CA 1.189 61.986 61.300 -0.839 0.000 1.357 567 I CB -0.597 37.129 38.000 -0.456 0.000 1.051 567 I HN 0.409 nan 8.210 nan 0.000 0.409 568 G N -0.009 108.597 108.800 -0.323 0.000 2.440 568 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 568 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 568 G C 1.648 176.450 174.900 -0.162 0.000 1.154 568 G CA 1.477 46.490 45.100 -0.144 0.000 0.767 568 G HN 0.303 nan 8.290 nan 0.000 0.552 569 T N 0.781 115.376 114.554 0.068 0.000 2.821 569 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 569 T C 2.026 176.745 174.700 0.031 0.000 1.046 569 T CA 1.336 63.505 62.100 0.115 0.000 1.139 569 T CB -0.307 68.697 68.868 0.226 0.000 0.871 569 T HN 0.797 nan 8.240 nan 0.000 0.454 570 W N 1.519 122.829 121.300 0.017 0.000 2.518 570 W HA 0.342 5.002 4.660 -0.001 0.000 0.273 570 W C 2.149 178.634 176.519 -0.057 0.000 1.247 570 W CA 0.288 57.627 57.345 -0.010 0.000 1.288 570 W CB -0.742 28.728 29.460 0.018 0.000 1.107 570 W HN 0.204 nan 8.180 nan 0.000 0.586 571 A N 1.940 124.701 122.820 -0.099 0.000 1.908 571 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 571 A C 2.233 179.742 177.584 -0.125 0.000 1.181 571 A CA 2.549 54.527 52.037 -0.098 0.000 0.627 571 A CB -1.039 17.752 19.000 -0.348 0.000 0.818 571 A HN 0.156 nan 8.150 nan 0.000 0.445 572 V N -0.495 119.252 119.914 -0.279 0.000 2.427 572 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 572 V C 2.711 178.738 176.094 -0.113 0.000 1.051 572 V CA 2.370 64.481 62.300 -0.316 0.000 1.048 572 V CB -1.000 30.475 31.823 -0.579 0.000 0.666 572 V HN 0.618 nan 8.190 nan 0.000 0.456 573 T N 1.230 115.774 114.554 -0.017 0.000 2.821 573 T HA -0.077 4.272 4.350 -0.001 0.000 0.267 573 T C 1.699 176.431 174.700 0.053 0.000 1.046 573 T CA 1.821 63.945 62.100 0.040 0.000 1.139 573 T CB -0.282 68.645 68.868 0.099 0.000 0.871 573 T HN 0.686 nan 8.240 nan 0.000 0.454 574 I N -1.267 119.358 120.570 0.092 0.000 3.564 574 I HA 0.404 4.574 4.170 -0.001 0.000 0.294 574 I C 1.397 177.537 176.117 0.038 0.000 1.289 574 I CA 0.471 61.814 61.300 0.073 0.000 1.325 574 I CB -0.309 37.758 38.000 0.113 0.000 1.039 574 I HN 0.322 nan 8.210 nan 0.000 0.474 575 G N 1.487 110.292 108.800 0.009 0.000 2.164 575 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.154 575 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.154 575 G C -0.168 174.704 174.900 -0.047 0.000 1.014 575 G CA -0.348 44.748 45.100 -0.008 0.000 0.683 575 G HN 0.287 nan 8.290 nan 0.000 0.500 576 L N 0.733 121.896 121.223 -0.101 0.000 2.325 576 L HA 0.488 4.827 4.340 -0.001 0.000 0.279 576 L C -2.190 174.467 176.870 -0.356 0.000 1.054 576 L CA -2.349 52.386 54.840 -0.175 0.000 0.804 576 L CB 1.452 43.420 42.059 -0.151 0.000 1.200 576 L HN -0.165 nan 8.230 nan 0.000 0.436 577 P HA 0.085 nan 4.420 nan 0.000 0.266 577 P C -0.889 176.117 177.300 -0.492 0.000 1.215 577 P CA 0.116 62.714 63.100 -0.838 0.000 0.763 577 P CB 0.554 31.830 31.700 -0.706 0.000 0.806 578 T N 3.225 117.497 114.554 -0.470 0.000 2.906 578 T HA 0.190 4.539 4.350 -0.001 0.000 0.302 578 T C -0.640 174.027 174.700 -0.055 0.000 1.002 578 T CA -0.444 61.485 62.100 -0.284 0.000 0.988 578 T CB 0.207 68.808 68.868 -0.445 0.000 0.972 578 T HN 0.434 nan 8.240 nan 0.000 0.447 579 H N 3.993 123.010 119.070 -0.088 0.000 2.525 579 H HA 0.626 5.182 4.556 -0.000 0.000 0.339 579 H C -1.040 174.313 175.328 0.043 0.000 1.109 579 H CA -0.455 55.589 56.048 -0.007 0.000 1.352 579 H CB 0.895 30.634 29.762 -0.038 0.000 1.461 579 H HN 0.556 nan 8.280 nan 0.000 0.533 580 I N 3.590 123.849 120.570 -0.517 0.000 2.498 580 I HA 0.290 4.460 4.170 -0.001 0.000 0.290 580 I C 0.476 176.146 176.117 -0.746 0.000 1.032 580 I CA -0.483 60.481 61.300 -0.560 0.000 1.073 580 I CB 1.636 39.503 38.000 -0.222 0.000 1.251 580 I HN 0.784 nan 8.210 nan 0.000 0.426 581 G N 6.268 114.704 108.800 -0.607 0.000 3.277 581 G HA2 0.342 4.302 3.960 -0.001 0.000 0.243 581 G HA3 0.342 4.302 3.960 -0.001 0.000 0.243 581 G C -0.229 174.582 174.900 -0.147 0.000 1.107 581 G CA 0.115 45.044 45.100 -0.286 0.000 0.771 581 G HN 0.350 nan 8.290 nan 0.000 0.544 582 V N 0.762 120.578 119.914 -0.163 0.000 2.914 582 V HA 0.403 4.523 4.120 -0.001 0.000 0.314 582 V C -0.116 175.914 176.094 -0.107 0.000 1.084 582 V CA -0.960 61.273 62.300 -0.112 0.000 0.963 582 V CB 2.446 34.203 31.823 -0.111 0.000 1.025 582 V HN 0.055 nan 8.190 nan 0.000 0.432 583 L N 6.014 127.191 121.223 -0.078 0.000 2.361 583 L HA 0.320 4.660 4.340 -0.001 0.000 0.278 583 L C -1.893 174.918 176.870 -0.098 0.000 1.113 583 L CA -1.158 53.634 54.840 -0.080 0.000 0.849 583 L CB 1.250 43.278 42.059 -0.051 0.000 1.155 583 L HN 0.497 nan 8.230 nan 0.000 0.452 584 P HA 0.267 nan 4.420 nan 0.000 0.279 584 P C -2.590 174.644 177.300 -0.109 0.000 1.252 584 P CA -1.940 61.076 63.100 -0.139 0.000 0.811 584 P CB 0.245 31.816 31.700 -0.215 0.000 1.035 585 P HA 0.170 nan 4.420 nan 0.000 0.226 585 P C 0.532 177.790 177.300 -0.071 0.000 1.783 585 P CA 0.172 63.233 63.100 -0.066 0.000 0.980 585 P CB -0.876 30.794 31.700 -0.049 0.000 1.967 586 I N -2.390 118.132 120.570 -0.081 0.000 4.439 586 I HA 0.099 4.269 4.170 -0.001 0.000 0.331 586 I C 1.345 177.425 176.117 -0.061 0.000 1.345 586 I CA -0.056 61.198 61.300 -0.076 0.000 1.193 586 I CB -0.284 37.657 38.000 -0.099 0.000 1.221 586 I HN -0.113 nan 8.210 nan 0.000 0.429 587 T N -1.254 113.266 114.554 -0.057 0.000 3.007 587 T HA 0.038 4.387 4.350 -0.001 0.000 0.270 587 T C 1.839 176.503 174.700 -0.060 0.000 1.107 587 T CA 1.093 63.167 62.100 -0.043 0.000 1.118 587 T CB -0.698 68.153 68.868 -0.028 0.000 0.889 587 T HN 0.451 nan 8.240 nan 0.000 0.506 588 G N 0.354 109.107 108.800 -0.078 0.000 2.679 588 G HA2 0.135 4.095 3.960 -0.001 0.000 0.212 588 G HA3 0.135 4.095 3.960 -0.001 0.000 0.212 588 G C 0.538 175.374 174.900 -0.107 0.000 1.137 588 G CA 0.288 45.319 45.100 -0.115 0.000 0.787 588 G HN 0.595 nan 8.290 nan 0.000 0.534 589 S N -0.312 115.345 115.700 -0.071 0.000 2.745 589 S HA 0.343 4.813 4.470 -0.001 0.000 0.283 589 S C 0.796 175.377 174.600 -0.032 0.000 1.170 589 S CA -0.792 57.375 58.200 -0.054 0.000 1.119 589 S CB 1.043 64.216 63.200 -0.044 0.000 1.035 589 S HN 0.069 nan 8.310 nan 0.000 0.483 590 L N 7.442 128.652 121.223 -0.021 0.000 2.046 590 L HA 0.197 4.536 4.340 -0.001 0.000 0.208 590 L C -1.182 175.689 176.870 0.001 0.000 1.077 590 L CA 2.009 56.850 54.840 0.002 0.000 0.747 590 L CB -1.040 41.031 42.059 0.020 0.000 0.896 590 L HN 0.444 nan 8.230 nan 0.000 0.432 591 P HA -0.152 nan 4.420 nan 0.000 0.216 591 P C 2.056 179.357 177.300 0.001 0.000 1.153 591 P CA 1.501 64.601 63.100 0.001 0.000 0.858 591 P CB -0.039 31.659 31.700 -0.003 0.000 0.789 592 V N -0.746 119.164 119.914 -0.006 0.000 2.427 592 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 592 V C 2.323 178.418 176.094 0.003 0.000 1.051 592 V CA 2.395 64.693 62.300 -0.004 0.000 1.048 592 V CB -1.762 30.051 31.823 -0.017 0.000 0.666 592 V HN 0.189 nan 8.190 nan 0.000 0.456 593 T N -0.737 113.814 114.554 -0.004 0.000 2.720 593 T HA -0.283 4.067 4.350 -0.001 0.000 0.268 593 T C 1.923 176.640 174.700 0.027 0.000 1.037 593 T CA 1.832 63.934 62.100 0.003 0.000 1.144 593 T CB -0.243 68.625 68.868 -0.001 0.000 0.864 593 T HN 0.486 nan 8.240 nan 0.000 0.444 594 Q N 0.167 119.980 119.800 0.022 0.000 2.124 594 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 594 Q C 2.343 178.362 176.000 0.032 0.000 0.977 594 Q CA 1.150 56.968 55.803 0.024 0.000 0.850 594 Q CB -0.243 28.504 28.738 0.014 0.000 0.901 594 Q HN 0.550 nan 8.270 nan 0.000 0.429 595 I N 0.506 121.095 120.570 0.032 0.000 2.179 595 I HA -0.309 3.860 4.170 -0.001 0.000 0.242 595 I C 2.129 178.293 176.117 0.078 0.000 1.088 595 I CA 0.991 62.315 61.300 0.040 0.000 1.357 595 I CB -0.166 37.854 38.000 0.033 0.000 1.051 595 I HN 0.216 nan 8.210 nan 0.000 0.409 596 L N 0.025 121.312 121.223 0.106 0.000 2.313 596 L HA -0.090 4.250 4.340 -0.001 0.000 0.214 596 L C 2.327 179.361 176.870 0.274 0.000 1.119 596 L CA 1.392 56.361 54.840 0.215 0.000 0.809 596 L CB -0.668 41.507 42.059 0.194 0.000 0.933 596 L HN 0.409 nan 8.230 nan 0.000 0.449 597 T N -6.453 108.210 114.554 0.181 0.000 3.040 597 T HA 0.106 4.456 4.350 -0.001 0.000 0.250 597 T C 1.374 176.141 174.700 0.111 0.000 1.058 597 T CA 0.563 62.784 62.100 0.202 0.000 0.988 597 T CB 0.761 69.717 68.868 0.147 0.000 0.993 597 T HN 0.180 nan 8.240 nan 0.000 0.519 598 S N 1.028 116.761 115.700 0.055 0.000 4.193 598 S HA 0.089 4.559 4.470 -0.001 0.000 0.211 598 S C 1.770 176.353 174.600 -0.028 0.000 1.162 598 S CA 0.638 58.819 58.200 -0.033 0.000 1.039 598 S CB -0.348 62.830 63.200 -0.037 0.000 1.371 598 S HN 0.475 nan 8.310 nan 0.000 0.550 599 S N 1.561 117.258 115.700 -0.005 0.000 2.515 599 S HA 0.063 4.533 4.470 -0.001 0.000 0.231 599 S C 1.614 176.209 174.600 -0.009 0.000 0.987 599 S CA 0.914 59.107 58.200 -0.012 0.000 0.936 599 S CB -0.233 62.964 63.200 -0.005 0.000 0.766 599 S HN 0.483 nan 8.310 nan 0.000 0.528 600 V N 1.957 121.881 119.914 0.016 0.000 2.913 600 V HA -0.116 4.004 4.120 -0.001 0.000 0.260 600 V C 2.069 178.167 176.094 0.006 0.000 1.098 600 V CA 1.517 63.822 62.300 0.007 0.000 1.121 600 V CB -0.698 31.150 31.823 0.041 0.000 0.714 600 V HN 0.462 nan 8.190 nan 0.000 0.487 601 K N -0.103 120.308 120.400 0.018 0.000 2.160 601 K HA -0.193 4.127 4.320 -0.001 0.000 0.206 601 K C 1.633 178.231 176.600 -0.004 0.000 1.047 601 K CA 1.855 58.151 56.287 0.016 0.000 0.930 601 K CB -0.262 32.196 32.500 -0.071 0.000 0.720 601 K HN 0.524 nan 8.250 nan 0.000 0.450 602 D N 0.206 120.594 120.400 -0.020 0.000 2.347 602 D HA -0.017 4.623 4.640 -0.001 0.000 0.215 602 D C 1.666 177.954 176.300 -0.020 0.000 0.976 602 D CA 0.848 54.842 54.000 -0.010 0.000 0.884 602 D CB 0.161 40.957 40.800 -0.007 0.000 0.915 602 D HN 0.290 nan 8.370 nan 0.000 0.526 603 I N -0.030 120.483 120.570 -0.095 0.000 2.899 603 I HA -0.087 4.083 4.170 -0.001 0.000 0.257 603 I C 2.245 178.263 176.117 -0.165 0.000 1.115 603 I CA 1.030 62.154 61.300 -0.293 0.000 1.451 603 I CB 0.067 37.821 38.000 -0.410 0.000 1.251 603 I HN -0.064 nan 8.210 nan 0.000 0.456 604 T N -2.868 111.639 114.554 -0.078 0.000 2.985 604 T HA 0.383 4.733 4.350 -0.001 0.000 0.254 604 T C 1.574 176.284 174.700 0.016 0.000 1.021 604 T CA 0.557 62.647 62.100 -0.018 0.000 0.957 604 T CB 0.973 69.830 68.868 -0.018 0.000 1.047 604 T HN 0.495 nan 8.240 nan 0.000 0.511 605 G N 0.821 109.639 108.800 0.030 0.000 2.253 605 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.251 605 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.251 605 G C 0.606 175.573 174.900 0.112 0.000 0.998 605 G CA 0.054 45.190 45.100 0.061 0.000 0.621 605 G HN 1.069 nan 8.290 nan 0.000 0.524 606 G N -0.620 108.214 108.800 0.058 0.000 2.543 606 G HA2 0.825 4.785 3.960 -0.001 0.000 0.290 606 G HA3 0.825 4.785 3.960 -0.001 0.000 0.290 606 G C -0.482 174.495 174.900 0.128 0.000 1.310 606 G CA -0.081 45.017 45.100 -0.002 0.000 1.025 606 G HN 1.738 nan 8.290 nan 0.000 0.502 607 Y N -3.623 116.581 120.300 -0.160 0.000 2.598 607 Y HA 0.539 5.089 4.550 -0.001 0.000 0.333 607 Y C -1.498 174.305 175.900 -0.162 0.000 1.196 607 Y CA -2.226 55.797 58.100 -0.127 0.000 1.145 607 Y CB 0.179 38.615 38.460 -0.040 0.000 1.349 607 Y HN 0.433 nan 8.280 nan 0.000 0.469 608 F N 2.964 122.964 119.950 0.084 0.000 2.418 608 F HA 0.544 5.071 4.527 -0.000 0.000 0.341 608 F C 0.356 176.220 175.800 0.107 0.000 1.120 608 F CA -0.289 57.720 58.000 0.016 0.000 1.232 608 F CB 0.833 39.837 39.000 0.007 0.000 1.175 608 F HN 0.422 nan 8.300 nan 0.000 0.569 609 I N 3.668 124.404 120.570 0.277 0.000 2.405 609 I HA 0.217 4.386 4.170 -0.001 0.000 0.280 609 I C -1.082 175.182 176.117 0.246 0.000 1.027 609 I CA -0.605 60.844 61.300 0.248 0.000 1.161 609 I CB 1.094 39.211 38.000 0.196 0.000 1.300 609 I HN 0.129 nan 8.210 nan 0.000 0.463 610 V N 5.439 125.454 119.914 0.168 0.000 2.368 610 V HA 0.330 4.450 4.120 -0.001 0.000 0.266 610 V C -0.078 176.092 176.094 0.126 0.000 1.045 610 V CA -0.141 62.211 62.300 0.087 0.000 0.899 610 V CB 0.918 32.750 31.823 0.015 0.000 1.006 610 V HN 0.656 nan 8.190 nan 0.000 0.470 611 E N 4.158 124.472 120.200 0.189 0.000 2.313 611 E HA 0.381 4.731 4.350 -0.001 0.000 0.280 611 E C -0.133 176.584 176.600 0.195 0.000 0.898 611 E CA -0.435 56.073 56.400 0.180 0.000 0.803 611 E CB 1.462 31.255 29.700 0.154 0.000 1.286 611 E HN 0.426 nan 8.360 nan 0.000 0.401 612 L N 1.981 123.256 121.223 0.087 0.000 2.418 612 L HA 0.230 4.569 4.340 -0.001 0.000 0.218 612 L C 0.471 177.370 176.870 0.049 0.000 1.125 612 L CA 0.302 55.176 54.840 0.056 0.000 0.835 612 L CB 0.073 42.145 42.059 0.022 0.000 0.953 612 L HN 0.506 nan 8.230 nan 0.000 0.454 613 D N 1.001 121.427 120.400 0.042 0.000 2.339 613 D HA 0.096 4.736 4.640 -0.001 0.000 0.241 613 D C -1.390 174.914 176.300 0.007 0.000 1.183 613 D CA -1.929 52.083 54.000 0.020 0.000 0.859 613 D CB 1.377 42.185 40.800 0.013 0.000 1.067 613 D HN -0.123 nan 8.370 nan 0.000 0.484 614 P HA -0.147 nan 4.420 nan 0.000 0.217 614 P C 0.800 178.080 177.300 -0.034 0.000 1.150 614 P CA 1.058 64.145 63.100 -0.022 0.000 0.832 614 P CB 0.364 32.050 31.700 -0.024 0.000 0.787 615 E N -0.442 119.748 120.200 -0.017 0.000 2.077 615 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 615 E C 2.045 178.632 176.600 -0.022 0.000 0.989 615 E CA 1.738 58.130 56.400 -0.013 0.000 0.800 615 E CB -0.704 28.995 29.700 -0.001 0.000 0.746 615 E HN 0.240 nan 8.360 nan 0.000 0.452 616 T N 0.764 115.305 114.554 -0.022 0.000 2.788 616 T HA -0.172 4.178 4.350 -0.001 0.000 0.268 616 T C 1.984 176.647 174.700 -0.062 0.000 1.044 616 T CA 1.167 63.252 62.100 -0.025 0.000 1.139 616 T CB -0.253 68.610 68.868 -0.008 0.000 0.867 616 T HN 0.260 nan 8.240 nan 0.000 0.454 617 A N 1.480 124.232 122.820 -0.114 0.000 1.902 617 A HA 0.141 4.461 4.320 -0.001 0.000 0.217 617 A C 2.653 180.088 177.584 -0.248 0.000 1.181 617 A CA 1.817 53.681 52.037 -0.289 0.000 0.623 617 A CB -1.083 17.576 19.000 -0.569 0.000 0.818 617 A HN 0.513 nan 8.150 nan 0.000 0.443 618 A N -0.053 122.685 122.820 -0.137 0.000 1.902 618 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 618 A C 1.786 179.340 177.584 -0.049 0.000 1.181 618 A CA 1.864 53.860 52.037 -0.068 0.000 0.623 618 A CB -0.576 18.419 19.000 -0.008 0.000 0.818 618 A HN 0.451 nan 8.150 nan 0.000 0.443 619 D N -0.082 120.294 120.400 -0.039 0.000 2.104 619 D HA -0.131 4.509 4.640 -0.001 0.000 0.194 619 D C 1.924 178.206 176.300 -0.030 0.000 0.994 619 D CA 1.429 55.417 54.000 -0.019 0.000 0.830 619 D CB -0.252 40.544 40.800 -0.008 0.000 0.959 619 D HN 0.499 nan 8.370 nan 0.000 0.452 620 K N 0.035 120.406 120.400 -0.048 0.000 2.148 620 K HA -0.023 4.296 4.320 -0.001 0.000 0.204 620 K C 2.291 178.865 176.600 -0.043 0.000 1.050 620 K CA 0.450 56.717 56.287 -0.034 0.000 0.942 620 K CB -0.024 32.461 32.500 -0.025 0.000 0.724 620 K HN 0.154 nan 8.250 nan 0.000 0.446 621 L N 0.710 121.883 121.223 -0.083 0.000 2.109 621 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 621 L C 2.242 179.072 176.870 -0.066 0.000 1.086 621 L CA 0.791 55.577 54.840 -0.089 0.000 0.760 621 L CB -0.291 41.693 42.059 -0.125 0.000 0.910 621 L HN 0.136 nan 8.230 nan 0.000 0.437 622 L N -0.391 120.804 121.223 -0.046 0.000 2.046 622 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 622 L C 2.837 179.674 176.870 -0.056 0.000 1.077 622 L CA 1.228 56.051 54.840 -0.028 0.000 0.747 622 L CB -0.655 41.407 42.059 0.005 0.000 0.896 622 L HN 0.253 nan 8.230 nan 0.000 0.432 623 A N -0.208 122.574 122.820 -0.062 0.000 1.930 623 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 623 A C 2.512 180.022 177.584 -0.124 0.000 1.175 623 A CA 1.604 53.573 52.037 -0.113 0.000 0.627 623 A CB -0.640 18.316 19.000 -0.074 0.000 0.815 623 A HN 0.404 nan 8.150 nan 0.000 0.443 624 A N -0.031 122.756 122.820 -0.055 0.000 1.902 624 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 624 A C 2.114 179.657 177.584 -0.067 0.000 1.181 624 A CA 1.458 53.485 52.037 -0.016 0.000 0.623 624 A CB -0.568 18.438 19.000 0.010 0.000 0.818 624 A HN 0.492 nan 8.150 nan 0.000 0.443 625 I N 0.058 120.578 120.570 -0.083 0.000 2.179 625 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 625 I C 2.029 178.077 176.117 -0.114 0.000 1.088 625 I CA 1.284 62.537 61.300 -0.078 0.000 1.357 625 I CB -0.418 37.550 38.000 -0.052 0.000 1.051 625 I HN 0.307 nan 8.210 nan 0.000 0.409 626 N N 0.711 119.298 118.700 -0.189 0.000 2.244 626 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 626 N C 1.670 176.840 175.510 -0.566 0.000 1.016 626 N CA 1.053 53.878 53.050 -0.375 0.000 0.866 626 N CB -0.209 37.960 38.487 -0.530 0.000 0.980 626 N HN 0.440 nan 8.380 nan 0.000 0.430 627 E N 0.439 120.389 120.200 -0.416 0.000 2.110 627 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 627 E C 1.874 178.366 176.600 -0.180 0.000 0.988 627 E CA 0.680 56.892 56.400 -0.313 0.000 0.804 627 E CB 0.116 29.706 29.700 -0.184 0.000 0.745 627 E HN 0.236 nan 8.360 nan 0.000 0.458 628 R N 0.630 121.057 120.500 -0.121 0.000 2.090 628 R HA -0.005 4.334 4.340 -0.001 0.000 0.228 628 R C 2.247 178.523 176.300 -0.041 0.000 1.110 628 R CA 0.724 56.790 56.100 -0.057 0.000 0.973 628 R CB -0.341 29.938 30.300 -0.035 0.000 0.869 628 R HN 0.176 nan 8.270 nan 0.000 0.440 629 R N 0.515 120.983 120.500 -0.053 0.000 2.083 629 R HA -0.112 4.228 4.340 -0.001 0.000 0.237 629 R C 2.326 178.660 176.300 0.057 0.000 1.137 629 R CA 1.673 57.787 56.100 0.023 0.000 0.951 629 R CB -0.477 29.874 30.300 0.084 0.000 0.851 629 R HN 0.190 nan 8.270 nan 0.000 0.434 630 A N 0.624 123.430 122.820 -0.023 0.000 1.902 630 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 630 A C 2.378 179.990 177.584 0.046 0.000 1.181 630 A CA 1.790 53.864 52.037 0.062 0.000 0.623 630 A CB -1.071 17.908 19.000 -0.034 0.000 0.818 630 A HN 0.494 nan 8.150 nan 0.000 0.443 631 G N -0.752 108.050 108.800 0.002 0.000 2.471 631 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.219 631 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.219 631 G C 1.285 176.198 174.900 0.022 0.000 1.125 631 G CA 0.769 45.875 45.100 0.009 0.000 0.775 631 G HN 0.445 nan 8.290 nan 0.000 0.548 632 L N 0.119 121.359 121.223 0.028 0.000 2.592 632 L HA 0.268 4.607 4.340 -0.001 0.000 0.227 632 L C 1.862 178.759 176.870 0.045 0.000 1.127 632 L CA 0.357 55.217 54.840 0.032 0.000 0.884 632 L CB 0.097 42.175 42.059 0.031 0.000 1.065 632 L HN 0.321 nan 8.230 nan 0.000 0.457 633 G N 0.800 109.636 108.800 0.061 0.000 2.147 633 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 633 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 633 G C 0.062 175.012 174.900 0.084 0.000 1.005 633 G CA -0.111 45.031 45.100 0.070 0.000 0.713 633 G HN 0.232 nan 8.290 nan 0.000 0.515 634 L N 0.540 121.829 121.223 0.110 0.000 2.379 634 L HA 0.535 4.875 4.340 -0.001 0.000 0.269 634 L C -1.477 175.499 176.870 0.177 0.000 1.084 634 L CA -2.383 52.526 54.840 0.116 0.000 0.802 634 L CB 0.935 43.059 42.059 0.108 0.000 1.175 634 L HN -0.075 nan 8.230 nan 0.000 0.448 635 P HA 0.133 nan 4.420 nan 0.000 0.274 635 P C -1.211 176.174 177.300 0.142 0.000 1.237 635 P CA -0.259 62.859 63.100 0.030 0.000 0.793 635 P CB 0.575 32.253 31.700 -0.036 0.000 0.977 636 W N 0.000 121.303 121.300 0.005 0.000 2.388 636 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 636 W CA 0.000 57.348 57.345 0.005 0.000 1.226 636 W CB 0.000 29.464 29.460 0.006 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535