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 3b52_1_X 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 0.000 175.905 176.000 -0.159 0.000 1.003 4 Q CA 0.000 55.711 55.803 -0.154 0.000 1.022 4 Q CB 0.000 28.647 28.738 -0.152 0.000 1.108 5 N N 1.755 120.401 118.700 -0.088 0.000 2.453 5 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 5 N C 1.481 176.962 175.510 -0.047 0.000 1.041 5 N CA 0.752 53.769 53.050 -0.056 0.000 0.900 5 N CB -0.036 38.436 38.487 -0.024 0.000 0.961 5 N HN 0.260 nan 8.380 nan 0.000 0.443 6 L N -0.191 120.999 121.223 -0.055 0.000 2.395 6 L HA 0.056 4.395 4.340 -0.001 0.000 0.218 6 L C 2.221 179.078 176.870 -0.022 0.000 1.130 6 L CA 0.742 55.571 54.840 -0.019 0.000 0.826 6 L CB -0.084 41.972 42.059 -0.004 0.000 0.941 6 L HN 0.119 nan 8.230 nan 0.000 0.451 7 K N -1.058 119.240 120.400 -0.170 0.000 2.190 7 K HA 0.095 4.415 4.320 -0.001 0.000 0.202 7 K C 0.777 177.241 176.600 -0.228 0.000 1.045 7 K CA 0.346 56.395 56.287 -0.395 0.000 0.976 7 K CB 0.440 32.262 32.500 -1.131 0.000 0.849 7 K HN 0.011 nan 8.250 nan 0.000 0.468 8 S N -0.151 115.397 115.700 -0.252 0.000 2.540 8 S HA 0.133 4.602 4.470 -0.001 0.000 0.275 8 S C 0.341 174.946 174.600 0.009 0.000 1.123 8 S CA -0.739 57.436 58.200 -0.041 0.000 0.907 8 S CB 1.665 64.807 63.200 -0.095 0.000 1.081 8 S HN 0.292 nan 8.310 nan 0.000 0.476 9 T N -0.180 114.435 114.554 0.102 0.000 3.129 9 T HA 0.142 4.492 4.350 -0.001 0.000 0.251 9 T C 0.273 175.125 174.700 0.253 0.000 1.117 9 T CA 0.092 62.273 62.100 0.135 0.000 1.034 9 T CB -0.233 68.688 68.868 0.088 0.000 0.968 9 T HN 0.516 nan 8.240 nan 0.000 0.526 10 D N 1.197 121.716 120.400 0.199 0.000 2.316 10 D HA 0.209 4.848 4.640 -0.001 0.000 0.245 10 D C 1.029 177.341 176.300 0.021 0.000 1.171 10 D CA -0.430 53.622 54.000 0.088 0.000 0.856 10 D CB 1.130 41.969 40.800 0.066 0.000 1.090 10 D HN 0.185 nan 8.370 nan 0.000 0.476 11 R N 2.695 123.195 120.500 -0.001 0.000 2.115 11 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 11 R C 1.943 178.231 176.300 -0.020 0.000 1.111 11 R CA 1.298 57.392 56.100 -0.010 0.000 0.976 11 R CB -0.003 30.293 30.300 -0.006 0.000 0.870 11 R HN 0.489 nan 8.270 nan 0.000 0.445 12 A N 0.667 123.473 122.820 -0.023 0.000 1.902 12 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 12 A C 2.310 179.888 177.584 -0.009 0.000 1.181 12 A CA 1.273 53.300 52.037 -0.016 0.000 0.623 12 A CB -0.424 18.566 19.000 -0.016 0.000 0.818 12 A HN 0.106 nan 8.150 nan 0.000 0.443 13 V N -0.002 119.910 119.914 -0.003 0.000 2.358 13 V HA -0.321 3.799 4.120 -0.001 0.000 0.246 13 V C 2.616 178.669 176.094 -0.068 0.000 1.047 13 V CA 2.224 64.522 62.300 -0.004 0.000 1.035 13 V CB -1.000 30.845 31.823 0.037 0.000 0.658 13 V HN 0.644 nan 8.190 nan 0.000 0.452 14 Q N -0.352 119.399 119.800 -0.081 0.000 2.096 14 Q HA -0.311 4.029 4.340 -0.001 0.000 0.204 14 Q C 2.373 178.332 176.000 -0.069 0.000 0.982 14 Q CA 2.080 57.821 55.803 -0.103 0.000 0.850 14 Q CB -0.251 28.442 28.738 -0.076 0.000 0.901 14 Q HN 0.685 nan 8.270 nan 0.000 0.422 15 Q N -0.185 119.590 119.800 -0.040 0.000 2.084 15 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 15 Q C 1.955 177.943 176.000 -0.019 0.000 0.978 15 Q CA 1.087 56.875 55.803 -0.026 0.000 0.844 15 Q CB 0.148 28.876 28.738 -0.016 0.000 0.898 15 Q HN 0.337 nan 8.270 nan 0.000 0.426 16 M N 0.063 119.655 119.600 -0.013 0.000 2.254 16 M HA -0.091 4.388 4.480 -0.001 0.000 0.265 16 M C 2.115 178.418 176.300 0.004 0.000 1.066 16 M CA 0.999 56.302 55.300 0.005 0.000 1.123 16 M CB -0.683 31.932 32.600 0.024 0.000 1.388 16 M HN 0.293 nan 8.290 nan 0.000 0.425 17 L N -0.043 121.162 121.223 -0.030 0.000 2.042 17 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 17 L C 2.084 178.938 176.870 -0.027 0.000 1.076 17 L CA 1.125 55.938 54.840 -0.046 0.000 0.749 17 L CB -0.746 41.216 42.059 -0.161 0.000 0.893 17 L HN 0.256 nan 8.230 nan 0.000 0.432 18 D N -0.099 120.282 120.400 -0.033 0.000 2.117 18 D HA -0.203 4.437 4.640 -0.001 0.000 0.197 18 D C 2.115 178.413 176.300 -0.005 0.000 0.987 18 D CA 1.187 55.175 54.000 -0.020 0.000 0.829 18 D CB 0.011 40.798 40.800 -0.022 0.000 0.961 18 D HN 0.248 nan 8.370 nan 0.000 0.460 19 K N 0.673 121.073 120.400 0.000 0.000 2.025 19 K HA -0.073 4.247 4.320 -0.001 0.000 0.207 19 K C 2.054 178.665 176.600 0.017 0.000 1.049 19 K CA 1.226 57.517 56.287 0.008 0.000 0.933 19 K CB -0.051 32.455 32.500 0.010 0.000 0.714 19 K HN -0.004 nan 8.250 nan 0.000 0.438 20 A N 1.641 124.477 122.820 0.026 0.000 1.908 20 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 20 A C 2.062 179.667 177.584 0.036 0.000 1.181 20 A CA 2.036 54.097 52.037 0.040 0.000 0.627 20 A CB -0.574 18.466 19.000 0.066 0.000 0.818 20 A HN 0.425 nan 8.150 nan 0.000 0.445 21 K N -0.583 119.833 120.400 0.027 0.000 2.002 21 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 21 K C 2.326 178.936 176.600 0.018 0.000 1.048 21 K CA 1.589 57.890 56.287 0.023 0.000 0.930 21 K CB -0.247 32.259 32.500 0.011 0.000 0.714 21 K HN 0.381 nan 8.250 nan 0.000 0.438 22 R N 0.799 121.306 120.500 0.012 0.000 2.119 22 R HA -0.170 4.169 4.340 -0.001 0.000 0.246 22 R C 1.423 177.731 176.300 0.012 0.000 1.146 22 R CA 2.245 58.350 56.100 0.009 0.000 0.962 22 R CB -0.002 30.301 30.300 0.006 0.000 0.863 22 R HN 0.366 nan 8.270 nan 0.000 0.442 23 E N -1.599 118.610 120.200 0.016 0.000 2.479 23 E HA 0.101 4.451 4.350 -0.001 0.000 0.193 23 E C 0.530 177.142 176.600 0.021 0.000 1.049 23 E CA 0.369 56.779 56.400 0.017 0.000 0.870 23 E CB 0.750 30.461 29.700 0.018 0.000 0.944 23 E HN 0.610 nan 8.360 nan 0.000 0.492 24 G N 2.168 110.982 108.800 0.024 0.000 2.176 24 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.252 24 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.252 24 G C 0.123 175.044 174.900 0.034 0.000 1.024 24 G CA -0.027 45.089 45.100 0.027 0.000 0.755 24 G HN 0.242 nan 8.290 nan 0.000 0.507 25 I N 0.838 121.432 120.570 0.040 0.000 2.312 25 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 25 I C 0.923 177.078 176.117 0.064 0.000 1.031 25 I CA -0.459 60.870 61.300 0.049 0.000 1.293 25 I CB 1.347 39.376 38.000 0.049 0.000 1.403 25 I HN 0.264 nan 8.210 nan 0.000 0.484 26 Q N 5.642 125.480 119.800 0.063 0.000 2.311 26 Q HA 0.144 4.483 4.340 -0.001 0.000 0.272 26 Q C -0.037 176.023 176.000 0.099 0.000 1.012 26 Q CA -0.030 55.819 55.803 0.078 0.000 0.891 26 Q CB 0.946 29.722 28.738 0.063 0.000 1.201 26 Q HN 0.774 nan 8.270 nan 0.000 0.391 27 T N -0.575 114.064 114.554 0.141 0.000 2.938 27 T HA 0.198 4.548 4.350 -0.001 0.000 0.285 27 T C 0.875 175.662 174.700 0.145 0.000 1.028 27 T CA -0.428 61.780 62.100 0.181 0.000 1.005 27 T CB 1.081 70.148 68.868 0.331 0.000 1.157 27 T HN 0.444 nan 8.240 nan 0.000 0.550 28 V N 0.330 120.279 119.914 0.058 0.000 2.380 28 V HA -0.110 4.009 4.120 -0.001 0.000 0.251 28 V C 1.861 177.922 176.094 -0.055 0.000 1.063 28 V CA 1.691 63.927 62.300 -0.108 0.000 1.055 28 V CB -0.908 30.694 31.823 -0.368 0.000 0.657 28 V HN 0.847 nan 8.190 nan 0.000 0.455 29 W N -0.125 121.242 121.300 0.110 0.000 2.388 29 W HA -0.088 4.571 4.660 -0.000 0.000 0.294 29 W C 2.313 178.918 176.519 0.144 0.000 1.212 29 W CA 1.287 58.727 57.345 0.159 0.000 1.271 29 W CB -0.739 28.795 29.460 0.123 0.000 1.126 29 W HN 0.415 nan 8.180 nan 0.000 0.535 30 D N -0.155 120.430 120.400 0.308 0.000 2.117 30 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 30 D C 2.109 178.487 176.300 0.130 0.000 0.982 30 D CA 1.220 55.328 54.000 0.180 0.000 0.828 30 D CB -0.409 40.475 40.800 0.139 0.000 0.967 30 D HN 0.212 nan 8.370 nan 0.000 0.464 31 R N -0.343 120.232 120.500 0.125 0.000 2.092 31 R HA -0.140 4.199 4.340 -0.001 0.000 0.231 31 R C 2.311 178.687 176.300 0.127 0.000 1.119 31 R CA 0.664 56.820 56.100 0.093 0.000 0.970 31 R CB -0.388 29.952 30.300 0.066 0.000 0.864 31 R HN 0.238 nan 8.270 nan 0.000 0.440 32 Y N 2.224 122.532 120.300 0.014 0.000 2.114 32 Y HA -0.253 4.296 4.550 -0.001 0.000 0.284 32 Y C 2.248 178.173 175.900 0.041 0.000 1.143 32 Y CA 1.803 59.911 58.100 0.013 0.000 1.135 32 Y CB -0.453 38.005 38.460 -0.002 0.000 0.980 32 Y HN -0.052 nan 8.280 nan 0.000 0.499 33 E N 0.442 120.580 120.200 -0.103 0.000 2.097 33 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 33 E C 2.244 178.776 176.600 -0.113 0.000 1.000 33 E CA 1.725 58.017 56.400 -0.181 0.000 0.804 33 E CB -0.685 28.992 29.700 -0.038 0.000 0.740 33 E HN 0.502 nan 8.360 nan 0.000 0.454 34 A N -0.414 122.387 122.820 -0.031 0.000 2.070 34 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 34 A C 2.062 179.635 177.584 -0.017 0.000 1.159 34 A CA 1.613 53.643 52.037 -0.012 0.000 0.656 34 A CB -0.433 18.577 19.000 0.017 0.000 0.800 34 A HN 0.361 nan 8.150 nan 0.000 0.453 35 M N -0.332 119.256 119.600 -0.021 0.000 2.514 35 M HA 0.163 4.643 4.480 -0.001 0.000 0.258 35 M C 0.376 176.656 176.300 -0.033 0.000 1.119 35 M CA 0.591 55.892 55.300 0.001 0.000 1.111 35 M CB -0.193 32.447 32.600 0.067 0.000 1.390 35 M HN 0.141 nan 8.290 nan 0.000 0.475 36 K N 2.050 122.386 120.400 -0.106 0.000 2.270 36 K HA 0.267 4.586 4.320 -0.001 0.000 0.276 36 K C -2.171 174.395 176.600 -0.057 0.000 1.023 36 K CA -1.488 54.734 56.287 -0.109 0.000 0.955 36 K CB -0.110 32.275 32.500 -0.191 0.000 0.975 36 K HN 0.140 nan 8.250 nan 0.000 0.471 37 P HA 0.072 nan 4.420 nan 0.000 0.280 37 P C -0.907 176.389 177.300 -0.007 0.000 1.244 37 P CA -0.349 62.733 63.100 -0.029 0.000 0.784 37 P CB 0.835 32.522 31.700 -0.021 0.000 0.913 38 Q N 0.492 120.298 119.800 0.009 0.000 2.417 38 Q HA 0.175 4.514 4.340 -0.001 0.000 0.241 38 Q C 0.096 176.106 176.000 0.018 0.000 1.008 38 Q CA -0.369 55.452 55.803 0.031 0.000 0.901 38 Q CB 0.769 29.544 28.738 0.063 0.000 1.259 38 Q HN 0.571 nan 8.270 nan 0.000 0.489 39 C N 1.694 121.015 119.300 0.034 0.000 2.651 39 C HA 0.203 4.662 4.460 -0.001 0.000 0.410 39 C C 1.740 176.727 174.990 -0.005 0.000 1.372 39 C CA 0.036 59.082 59.018 0.047 0.000 1.707 39 C CB -0.915 26.890 27.740 0.109 0.000 2.501 39 C HN 0.973 nan 8.230 nan 0.000 0.598 40 G N 3.894 112.621 108.800 -0.122 0.000 2.484 40 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.218 40 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.218 40 G C 0.990 175.730 174.900 -0.267 0.000 1.130 40 G CA 0.555 45.519 45.100 -0.227 0.000 0.784 40 G HN 0.762 nan 8.290 nan 0.000 0.543 41 F N 1.571 121.507 119.950 -0.023 0.000 2.084 41 F HA 0.086 4.613 4.527 -0.000 0.000 0.296 41 F C 2.893 178.671 175.800 -0.038 0.000 1.111 41 F CA 1.004 58.982 58.000 -0.037 0.000 1.224 41 F CB -0.884 38.096 39.000 -0.034 0.000 0.991 41 F HN 0.146 nan 8.300 nan 0.000 0.471 42 G N -0.240 108.655 108.800 0.158 0.000 2.476 42 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 42 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 42 G C 1.535 176.448 174.900 0.022 0.000 1.164 42 G CA 1.051 46.194 45.100 0.071 0.000 0.768 42 G HN 0.377 nan 8.290 nan 0.000 0.560 43 E N -0.149 120.053 120.200 0.003 0.000 2.118 43 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 43 E C 2.752 179.332 176.600 -0.033 0.000 0.992 43 E CA 1.600 57.989 56.400 -0.019 0.000 0.804 43 E CB -0.178 29.505 29.700 -0.027 0.000 0.741 43 E HN 0.632 nan 8.360 nan 0.000 0.458 44 T N -3.617 110.913 114.554 -0.040 0.000 3.081 44 T HA 0.258 4.608 4.350 -0.001 0.000 0.250 44 T C 1.484 176.158 174.700 -0.042 0.000 1.100 44 T CA 0.405 62.473 62.100 -0.053 0.000 1.038 44 T CB 0.724 69.541 68.868 -0.084 0.000 0.962 44 T HN 0.287 nan 8.240 nan 0.000 0.516 45 G N 1.548 110.336 108.800 -0.020 0.000 2.159 45 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.256 45 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.256 45 G C 0.253 175.146 174.900 -0.011 0.000 0.977 45 G CA 0.146 45.234 45.100 -0.021 0.000 0.652 45 G HN 0.589 nan 8.290 nan 0.000 0.531 46 L N 0.711 121.951 121.223 0.028 0.000 2.934 46 L HA 0.490 4.829 4.340 -0.001 0.000 0.233 46 L C 0.776 177.688 176.870 0.071 0.000 1.358 46 L CA -0.365 54.504 54.840 0.050 0.000 1.233 46 L CB 0.173 42.284 42.059 0.087 0.000 1.594 46 L HN 0.373 nan 8.230 nan 0.000 0.439 47 C N -0.023 119.283 119.300 0.010 0.000 2.783 47 C HA 0.706 5.165 4.460 -0.001 0.000 0.312 47 C C -0.639 174.305 174.990 -0.077 0.000 1.182 47 C CA -0.974 58.023 59.018 -0.034 0.000 1.432 47 C CB 1.329 29.074 27.740 0.008 0.000 1.933 47 C HN 0.648 nan 8.230 nan 0.000 0.473 48 C N 5.793 125.029 119.300 -0.106 0.000 2.535 48 C HA 0.729 5.189 4.460 -0.001 0.000 0.319 48 C C 0.197 175.146 174.990 -0.068 0.000 1.171 48 C CA -0.419 58.504 59.018 -0.160 0.000 1.394 48 C CB 0.788 28.381 27.740 -0.245 0.000 1.990 48 C HN 1.054 nan 8.230 nan 0.000 0.466 49 R N 2.775 123.299 120.500 0.039 0.000 2.690 49 R HA 0.223 4.563 4.340 -0.001 0.000 0.419 49 R C 0.659 177.080 176.300 0.201 0.000 1.090 49 R CA -0.185 55.969 56.100 0.090 0.000 1.064 49 R CB -0.122 30.219 30.300 0.067 0.000 1.391 49 R HN 0.818 nan 8.270 nan 0.000 0.586 50 H N -0.655 118.404 119.070 -0.018 0.000 2.547 50 H HA 0.062 4.618 4.556 -0.001 0.000 0.266 50 H C 0.848 176.170 175.328 -0.010 0.000 0.988 50 H CA -0.031 56.010 56.048 -0.012 0.000 1.147 50 H CB 0.329 30.086 29.762 -0.008 0.000 1.365 50 H HN 0.343 nan 8.280 nan 0.000 0.589 51 C N -2.018 117.342 119.300 0.101 0.000 3.320 51 C HA 0.287 4.747 4.460 -0.001 0.000 0.335 51 C C 1.000 176.004 174.990 0.024 0.000 1.430 51 C CA -1.018 58.029 59.018 0.048 0.000 1.271 51 C CB 0.570 28.334 27.740 0.040 0.000 1.609 51 C HN 0.228 nan 8.230 nan 0.000 0.457 52 L N 1.019 122.249 121.223 0.011 0.000 2.599 52 L HA 0.080 4.419 4.340 -0.001 0.000 0.230 52 L C 2.351 179.219 176.870 -0.003 0.000 1.141 52 L CA 0.611 55.452 54.840 0.002 0.000 0.877 52 L CB -0.543 41.516 42.059 -0.001 0.000 1.009 52 L HN 0.784 nan 8.230 nan 0.000 0.447 53 Q N 0.199 119.997 119.800 -0.003 0.000 2.378 53 Q HA 0.036 4.376 4.340 -0.001 0.000 0.205 53 Q C 1.434 177.422 176.000 -0.019 0.000 0.954 53 Q CA 0.488 56.285 55.803 -0.011 0.000 0.901 53 Q CB 0.122 28.854 28.738 -0.011 0.000 0.981 53 Q HN 0.542 nan 8.270 nan 0.000 0.483 54 G N 2.062 110.852 108.800 -0.017 0.000 2.553 54 G HA2 0.257 4.216 3.960 -0.001 0.000 0.278 54 G HA3 0.257 4.216 3.960 -0.001 0.000 0.278 54 G C -2.272 172.609 174.900 -0.031 0.000 1.349 54 G CA -0.876 44.206 45.100 -0.030 0.000 1.037 54 G HN 0.018 nan 8.290 nan 0.000 0.508 55 P HA 0.315 nan 4.420 nan 0.000 0.275 55 P C -0.712 176.533 177.300 -0.092 0.000 1.227 55 P CA -0.266 62.799 63.100 -0.059 0.000 0.781 55 P CB 0.992 32.655 31.700 -0.062 0.000 0.906 56 C N 3.620 122.859 119.300 -0.101 0.000 2.391 56 C HA 0.739 5.198 4.460 -0.001 0.000 0.339 56 C C 0.757 175.642 174.990 -0.175 0.000 1.205 56 C CA -0.313 58.629 59.018 -0.126 0.000 1.937 56 C CB 1.056 28.737 27.740 -0.099 0.000 2.341 56 C HN 0.734 nan 8.230 nan 0.000 0.516 57 R N 1.634 121.995 120.500 -0.232 0.000 2.799 57 R HA 0.857 5.197 4.340 -0.001 0.000 0.270 57 R C -2.069 174.122 176.300 -0.182 0.000 1.010 57 R CA -0.688 55.231 56.100 -0.303 0.000 0.916 57 R CB 1.163 30.979 30.300 -0.806 0.000 1.228 57 R HN 0.649 nan 8.270 nan 0.000 0.469 58 I N 1.336 121.884 120.570 -0.035 0.000 2.499 58 I HA 0.255 4.424 4.170 -0.001 0.000 0.288 58 I C -0.680 175.568 176.117 0.218 0.000 1.048 58 I CA -1.045 60.278 61.300 0.039 0.000 1.062 58 I CB 2.307 40.306 38.000 -0.001 0.000 1.238 58 I HN 0.665 nan 8.210 nan 0.000 0.426 59 N N 7.870 126.700 118.700 0.216 0.000 2.411 59 N HA 0.019 4.759 4.740 -0.001 0.000 0.261 59 N C -1.743 173.757 175.510 -0.018 0.000 1.248 59 N CA -0.873 52.305 53.050 0.212 0.000 0.885 59 N CB 0.619 39.195 38.487 0.149 0.000 1.062 59 N HN 0.385 nan 8.380 nan 0.000 0.471 60 P HA -0.134 nan 4.420 nan 0.000 0.216 60 P C -0.650 176.140 177.300 -0.850 0.000 1.154 60 P CA 1.449 64.254 63.100 -0.492 0.000 0.865 60 P CB 0.272 31.704 31.700 -0.447 0.000 0.789 61 F N -3.606 116.343 119.950 -0.001 0.000 2.613 61 F HA 0.599 5.126 4.527 -0.000 0.000 0.310 61 F C 1.015 176.822 175.800 0.012 0.000 1.085 61 F CA -0.002 58.000 58.000 0.002 0.000 0.945 61 F CB 1.569 40.563 39.000 -0.010 0.000 1.298 61 F HN 0.055 nan 8.300 nan 0.000 0.455 62 G N 1.392 110.324 108.800 0.219 0.000 2.545 62 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.211 62 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.211 62 G C -1.190 173.763 174.900 0.089 0.000 1.167 62 G CA -0.359 44.818 45.100 0.128 0.000 1.151 62 G HN 0.545 nan 8.290 nan 0.000 0.581 63 D N 0.750 121.193 120.400 0.070 0.000 2.570 63 D HA 0.514 5.153 4.640 -0.001 0.000 0.266 63 D C 0.552 176.879 176.300 0.046 0.000 1.182 63 D CA -0.445 53.585 54.000 0.051 0.000 1.088 63 D CB 0.009 40.834 40.800 0.041 0.000 1.186 63 D HN 0.569 nan 8.370 nan 0.000 0.618 64 E N 0.971 121.190 120.200 0.032 0.000 2.418 64 E HA 0.141 4.491 4.350 -0.001 0.000 0.261 64 E C -1.952 174.664 176.600 0.027 0.000 1.070 64 E CA -0.966 55.447 56.400 0.021 0.000 0.931 64 E CB 0.217 29.923 29.700 0.009 0.000 0.954 64 E HN 0.162 nan 8.360 nan 0.000 0.439 65 P HA 0.067 nan 4.420 nan 0.000 0.276 65 P C -0.633 176.668 177.300 0.002 0.000 1.230 65 P CA 0.071 63.164 63.100 -0.011 0.000 0.776 65 P CB 0.913 32.583 31.700 -0.051 0.000 0.888 66 K N 0.619 121.016 120.400 -0.005 0.000 2.360 66 K HA 0.290 4.610 4.320 -0.001 0.000 0.196 66 K C 0.301 176.890 176.600 -0.019 0.000 1.049 66 K CA 0.003 56.286 56.287 -0.006 0.000 1.049 66 K CB 0.980 33.480 32.500 0.000 0.000 0.881 66 K HN 0.245 nan 8.250 nan 0.000 0.542 67 V N 0.008 119.906 119.914 -0.026 0.000 3.048 67 V HA 0.510 4.630 4.120 -0.001 0.000 0.303 67 V C -0.847 175.222 176.094 -0.042 0.000 1.214 67 V CA -0.861 61.420 62.300 -0.032 0.000 0.984 67 V CB 1.718 33.527 31.823 -0.024 0.000 1.054 67 V HN 0.248 nan 8.190 nan 0.000 0.430 68 G N 3.536 112.307 108.800 -0.048 0.000 2.630 68 G HA2 0.267 4.226 3.960 -0.001 0.000 0.236 68 G HA3 0.267 4.226 3.960 -0.001 0.000 0.236 68 G C 0.896 175.770 174.900 -0.042 0.000 1.248 68 G CA 0.146 45.212 45.100 -0.055 0.000 0.844 68 G HN 0.877 nan 8.290 nan 0.000 0.588 69 I N 0.653 121.197 120.570 -0.043 0.000 2.264 69 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 69 I C 2.806 178.909 176.117 -0.024 0.000 1.111 69 I CA 1.765 63.045 61.300 -0.032 0.000 1.382 69 I CB -0.182 37.799 38.000 -0.032 0.000 1.060 69 I HN 0.682 nan 8.210 nan 0.000 0.418 70 C N -0.018 119.268 119.300 -0.023 0.000 2.522 70 C HA 0.432 4.892 4.460 -0.001 0.000 0.271 70 C C 1.791 176.772 174.990 -0.016 0.000 1.425 70 C CA -0.048 58.961 59.018 -0.015 0.000 1.751 70 C CB -0.944 26.789 27.740 -0.011 0.000 1.775 70 C HN 0.734 nan 8.230 nan 0.000 0.557 71 G N 0.041 108.828 108.800 -0.021 0.000 2.163 71 G HA2 0.143 4.103 3.960 -0.001 0.000 0.213 71 G HA3 0.143 4.103 3.960 -0.001 0.000 0.213 71 G C 0.211 175.096 174.900 -0.024 0.000 0.991 71 G CA 0.114 45.202 45.100 -0.020 0.000 0.653 71 G HN 1.534 nan 8.290 nan 0.000 0.518 72 A N 1.340 124.140 122.820 -0.032 0.000 2.522 72 A HA 0.592 4.912 4.320 -0.001 0.000 0.256 72 A C 1.183 178.741 177.584 -0.042 0.000 1.086 72 A CA 1.329 53.342 52.037 -0.040 0.000 0.763 72 A CB -0.085 18.880 19.000 -0.058 0.000 1.024 72 A HN 1.783 nan 8.150 nan 0.000 0.502 73 T N 0.087 114.619 114.554 -0.036 0.000 2.788 73 T HA 0.478 4.828 4.350 -0.001 0.000 0.287 73 T C 1.496 176.170 174.700 -0.044 0.000 1.007 73 T CA -0.063 62.016 62.100 -0.035 0.000 1.005 73 T CB 0.953 69.805 68.868 -0.026 0.000 1.012 73 T HN 1.188 nan 8.240 nan 0.000 0.530 74 A N 0.591 123.384 122.820 -0.044 0.000 1.917 74 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 74 A C 2.219 179.775 177.584 -0.048 0.000 1.182 74 A CA 1.909 53.916 52.037 -0.051 0.000 0.633 74 A CB -1.124 17.841 19.000 -0.059 0.000 0.819 74 A HN 0.898 nan 8.150 nan 0.000 0.448 75 E N -0.370 119.807 120.200 -0.038 0.000 2.051 75 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 75 E C 2.052 178.634 176.600 -0.031 0.000 0.991 75 E CA 1.277 57.659 56.400 -0.030 0.000 0.799 75 E CB -0.626 29.061 29.700 -0.021 0.000 0.748 75 E HN 0.345 nan 8.360 nan 0.000 0.449 76 V N 0.724 120.617 119.914 -0.034 0.000 2.270 76 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 76 V C 2.229 178.289 176.094 -0.056 0.000 1.043 76 V CA 1.541 63.819 62.300 -0.037 0.000 1.014 76 V CB -0.416 31.386 31.823 -0.035 0.000 0.645 76 V HN 0.231 nan 8.190 nan 0.000 0.447 77 I N -0.364 120.160 120.570 -0.077 0.000 2.179 77 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 77 I C 2.381 178.443 176.117 -0.091 0.000 1.088 77 I CA 1.327 62.557 61.300 -0.117 0.000 1.357 77 I CB -0.380 37.551 38.000 -0.115 0.000 1.051 77 I HN 0.145 nan 8.210 nan 0.000 0.409 78 V N 0.965 120.841 119.914 -0.063 0.000 2.295 78 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 78 V C 2.683 178.756 176.094 -0.035 0.000 1.049 78 V CA 2.080 64.350 62.300 -0.049 0.000 1.024 78 V CB -1.033 30.761 31.823 -0.048 0.000 0.648 78 V HN 0.506 nan 8.190 nan 0.000 0.447 79 A N -0.172 122.632 122.820 -0.027 0.000 1.933 79 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 79 A C 2.371 179.959 177.584 0.007 0.000 1.175 79 A CA 1.639 53.671 52.037 -0.008 0.000 0.628 79 A CB -0.470 18.528 19.000 -0.003 0.000 0.814 79 A HN 0.511 nan 8.150 nan 0.000 0.444 80 R N -0.856 119.647 120.500 0.005 0.000 2.081 80 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 80 R C 2.417 178.780 176.300 0.106 0.000 1.131 80 R CA 1.206 57.341 56.100 0.059 0.000 0.960 80 R CB -0.698 29.628 30.300 0.043 0.000 0.856 80 R HN 0.528 nan 8.270 nan 0.000 0.436 81 G N 1.500 110.330 108.800 0.049 0.000 2.421 81 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 81 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 81 G C 1.363 176.286 174.900 0.038 0.000 1.171 81 G CA 0.404 45.543 45.100 0.065 0.000 0.775 81 G HN 0.163 nan 8.290 nan 0.000 0.543 82 L N 0.868 122.097 121.223 0.010 0.000 2.046 82 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 82 L C 2.174 179.057 176.870 0.022 0.000 1.077 82 L CA 2.205 57.044 54.840 -0.002 0.000 0.747 82 L CB -0.529 41.519 42.059 -0.019 0.000 0.896 82 L HN 0.084 nan 8.230 nan 0.000 0.432 83 D N -0.639 119.782 120.400 0.036 0.000 2.117 83 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 83 D C 2.357 178.683 176.300 0.042 0.000 0.987 83 D CA 1.129 55.156 54.000 0.045 0.000 0.829 83 D CB -0.073 40.754 40.800 0.045 0.000 0.961 83 D HN 0.319 nan 8.370 nan 0.000 0.460 84 R N 0.260 120.787 120.500 0.044 0.000 2.096 84 R HA -0.034 4.306 4.340 -0.001 0.000 0.235 84 R C 2.357 178.665 176.300 0.013 0.000 1.127 84 R CA 1.088 57.202 56.100 0.023 0.000 0.968 84 R CB -0.143 30.167 30.300 0.017 0.000 0.861 84 R HN 0.069 nan 8.270 nan 0.000 0.440 85 S N 1.032 116.739 115.700 0.012 0.000 2.368 85 S HA -0.104 4.366 4.470 -0.001 0.000 0.225 85 S C 1.972 176.586 174.600 0.023 0.000 1.030 85 S CA 1.088 59.287 58.200 -0.002 0.000 0.999 85 S CB -0.167 63.024 63.200 -0.015 0.000 0.844 85 S HN 0.225 nan 8.310 nan 0.000 0.459 86 I N 1.786 122.382 120.570 0.044 0.000 2.226 86 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 86 I C 2.739 178.904 176.117 0.081 0.000 1.100 86 I CA 1.090 62.436 61.300 0.078 0.000 1.374 86 I CB -0.538 37.517 38.000 0.092 0.000 1.057 86 I HN 0.267 nan 8.210 nan 0.000 0.413 87 A N 0.839 123.694 122.820 0.058 0.000 1.883 87 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 87 A C 2.557 180.167 177.584 0.043 0.000 1.186 87 A CA 1.990 54.058 52.037 0.052 0.000 0.624 87 A CB -0.905 18.113 19.000 0.032 0.000 0.822 87 A HN 0.434 nan 8.150 nan 0.000 0.444 88 A N -0.486 122.349 122.820 0.024 0.000 1.877 88 A HA 0.108 4.428 4.320 -0.001 0.000 0.216 88 A C 2.453 180.051 177.584 0.022 0.000 1.186 88 A CA 2.034 54.077 52.037 0.009 0.000 0.620 88 A CB -1.492 17.497 19.000 -0.017 0.000 0.822 88 A HN 0.763 nan 8.150 nan 0.000 0.443 89 G N -0.379 108.445 108.800 0.039 0.000 2.459 89 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.217 89 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.217 89 G C 1.807 176.719 174.900 0.021 0.000 1.183 89 G CA 1.765 46.880 45.100 0.025 0.000 0.776 89 G HN 0.886 nan 8.290 nan 0.000 0.552 90 A N 1.159 124.051 122.820 0.120 0.000 1.917 90 A HA 0.122 4.442 4.320 -0.001 0.000 0.219 90 A C 2.814 180.470 177.584 0.119 0.000 1.182 90 A CA 2.607 54.740 52.037 0.159 0.000 0.633 90 A CB -0.829 18.255 19.000 0.139 0.000 0.819 90 A HN 0.943 nan 8.150 nan 0.000 0.448 91 A N -0.818 122.044 122.820 0.070 0.000 1.969 91 A HA 0.183 4.503 4.320 -0.001 0.000 0.218 91 A C 2.342 179.933 177.584 0.013 0.000 1.169 91 A CA 1.849 53.918 52.037 0.053 0.000 0.635 91 A CB -1.168 17.845 19.000 0.022 0.000 0.810 91 A HN 0.688 nan 8.150 nan 0.000 0.445 92 G N -1.100 107.673 108.800 -0.044 0.000 2.404 92 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 92 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 92 G C 1.388 176.265 174.900 -0.038 0.000 1.189 92 G CA 1.056 46.082 45.100 -0.122 0.000 0.789 92 G HN 0.720 nan 8.290 nan 0.000 0.533 93 H N 0.609 119.709 119.070 0.050 0.000 2.353 93 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 93 H C 3.010 178.397 175.328 0.099 0.000 1.090 93 H CA 1.533 57.610 56.048 0.047 0.000 1.327 93 H CB 0.212 30.009 29.762 0.058 0.000 1.383 93 H HN 0.533 nan 8.280 nan 0.000 0.508 94 S N -0.101 115.754 115.700 0.258 0.000 2.406 94 S HA -0.058 4.412 4.470 -0.001 0.000 0.228 94 S C 2.417 177.221 174.600 0.341 0.000 1.020 94 S CA 0.668 59.061 58.200 0.321 0.000 0.965 94 S CB -0.536 62.867 63.200 0.337 0.000 0.798 94 S HN 0.476 nan 8.310 nan 0.000 0.488 95 G N 1.219 110.123 108.800 0.173 0.000 2.440 95 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 95 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 95 G C 1.258 176.244 174.900 0.144 0.000 1.154 95 G CA 1.072 46.197 45.100 0.041 0.000 0.767 95 G HN 0.783 nan 8.290 nan 0.000 0.552 96 H N 0.736 119.875 119.070 0.115 0.000 2.290 96 H HA -0.011 4.545 4.556 -0.001 0.000 0.298 96 H C 2.785 178.266 175.328 0.256 0.000 1.087 96 H CA 1.717 57.947 56.048 0.305 0.000 1.291 96 H CB -0.079 29.880 29.762 0.329 0.000 1.369 96 H HN 0.320 nan 8.280 nan 0.000 0.492 97 A N 1.012 124.110 122.820 0.462 0.000 1.902 97 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 97 A C 2.336 180.044 177.584 0.206 0.000 1.181 97 A CA 1.782 53.998 52.037 0.299 0.000 0.623 97 A CB -0.680 18.428 19.000 0.182 0.000 0.818 97 A HN 0.552 nan 8.150 nan 0.000 0.443 98 K N -1.045 119.461 120.400 0.176 0.000 2.063 98 K HA -0.258 4.062 4.320 -0.001 0.000 0.208 98 K C 1.978 178.614 176.600 0.059 0.000 1.048 98 K CA 1.795 58.014 56.287 -0.114 0.000 0.928 98 K CB -0.414 31.833 32.500 -0.422 0.000 0.713 98 K HN 0.797 nan 8.250 nan 0.000 0.442 99 H N 0.128 119.245 119.070 0.078 0.000 2.290 99 H HA -0.137 4.418 4.556 -0.000 0.000 0.298 99 H C 2.171 177.551 175.328 0.087 0.000 1.087 99 H CA 1.702 57.828 56.048 0.129 0.000 1.291 99 H CB 0.051 29.915 29.762 0.170 0.000 1.369 99 H HN 0.160 nan 8.280 nan 0.000 0.492 100 L N 0.166 121.462 121.223 0.121 0.000 2.083 100 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 100 L C 3.002 179.863 176.870 -0.014 0.000 1.083 100 L CA 0.882 55.731 54.840 0.015 0.000 0.752 100 L CB -0.406 41.700 42.059 0.078 0.000 0.899 100 L HN 0.393 nan 8.230 nan 0.000 0.433 101 A N -0.889 121.907 122.820 -0.040 0.000 1.902 101 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 101 A C 2.148 179.650 177.584 -0.135 0.000 1.181 101 A CA 1.459 53.421 52.037 -0.126 0.000 0.623 101 A CB -0.731 18.142 19.000 -0.211 0.000 0.818 101 A HN 0.417 nan 8.150 nan 0.000 0.443 102 H N -0.303 118.768 119.070 0.003 0.000 2.389 102 H HA -0.071 4.485 4.556 -0.001 0.000 0.299 102 H C 2.303 177.619 175.328 -0.021 0.000 1.081 102 H CA 1.870 57.919 56.048 0.000 0.000 1.345 102 H CB -0.653 29.117 29.762 0.014 0.000 1.393 102 H HN 0.467 nan 8.280 nan 0.000 0.520 103 T N 1.847 116.437 114.554 0.059 0.000 2.746 103 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 103 T C 2.218 176.850 174.700 -0.113 0.000 1.039 103 T CA 0.897 62.929 62.100 -0.113 0.000 1.142 103 T CB -0.429 68.260 68.868 -0.297 0.000 0.866 103 T HN 0.070 nan 8.240 nan 0.000 0.444 104 L N 1.609 122.784 121.223 -0.080 0.000 2.012 104 L HA -0.014 4.325 4.340 -0.001 0.000 0.210 104 L C 2.349 179.214 176.870 -0.009 0.000 1.073 104 L CA 1.883 56.693 54.840 -0.051 0.000 0.748 104 L CB -0.645 41.389 42.059 -0.043 0.000 0.891 104 L HN 0.106 nan 8.230 nan 0.000 0.431 105 K N -0.460 119.944 120.400 0.006 0.000 2.032 105 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 105 K C 2.177 178.800 176.600 0.037 0.000 1.048 105 K CA 1.906 58.211 56.287 0.030 0.000 0.927 105 K CB -0.095 32.437 32.500 0.053 0.000 0.712 105 K HN 0.319 nan 8.250 nan 0.000 0.441 106 K N 0.022 120.446 120.400 0.039 0.000 2.057 106 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 106 K C 2.172 178.799 176.600 0.045 0.000 1.049 106 K CA 1.301 57.611 56.287 0.039 0.000 0.931 106 K CB -0.196 32.322 32.500 0.030 0.000 0.714 106 K HN 0.234 nan 8.250 nan 0.000 0.440 107 A N 1.167 124.014 122.820 0.045 0.000 1.865 107 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 107 A C 2.334 179.953 177.584 0.057 0.000 1.191 107 A CA 2.146 54.230 52.037 0.079 0.000 0.623 107 A CB -0.876 18.177 19.000 0.088 0.000 0.826 107 A HN 0.229 nan 8.150 nan 0.000 0.444 108 V N -3.063 116.875 119.914 0.040 0.000 3.306 108 V HA -0.043 4.077 4.120 -0.001 0.000 0.264 108 V C 1.569 177.682 176.094 0.032 0.000 1.149 108 V CA 1.635 63.956 62.300 0.034 0.000 1.143 108 V CB -0.783 31.057 31.823 0.028 0.000 0.767 108 V HN 0.585 nan 8.190 nan 0.000 0.476 109 Q N 1.081 120.901 119.800 0.034 0.000 2.360 109 Q HA 0.347 4.687 4.340 -0.001 0.000 0.202 109 Q C 1.616 177.634 176.000 0.030 0.000 0.915 109 Q CA 0.490 56.312 55.803 0.031 0.000 0.943 109 Q CB 0.480 29.237 28.738 0.032 0.000 1.064 109 Q HN 0.899 nan 8.270 nan 0.000 0.511 110 G N 1.533 110.354 108.800 0.036 0.000 2.143 110 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.248 110 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.248 110 G C 0.606 175.527 174.900 0.036 0.000 0.991 110 G CA 0.513 45.634 45.100 0.034 0.000 0.689 110 G HN 0.325 nan 8.290 nan 0.000 0.522 111 K N -0.347 120.078 120.400 0.042 0.000 2.353 111 K HA 0.563 4.882 4.320 -0.001 0.000 0.195 111 K C 0.953 177.586 176.600 0.055 0.000 1.031 111 K CA 0.730 57.041 56.287 0.038 0.000 1.079 111 K CB 0.922 33.440 32.500 0.031 0.000 0.857 111 K HN 0.784 nan 8.250 nan 0.000 0.535 112 A N 0.661 123.534 122.820 0.089 0.000 3.156 112 A HA 0.520 4.840 4.320 -0.001 0.000 0.311 112 A C 0.401 178.099 177.584 0.190 0.000 1.129 112 A CA -0.474 51.661 52.037 0.163 0.000 0.809 112 A CB 0.488 19.614 19.000 0.210 0.000 1.257 112 A HN 0.123 nan 8.150 nan 0.000 0.491 113 A N 0.123 123.002 122.820 0.097 0.000 2.172 113 A HA 0.070 4.390 4.320 -0.001 0.000 0.216 113 A C 1.905 179.500 177.584 0.018 0.000 1.154 113 A CA 1.909 53.979 52.037 0.056 0.000 0.701 113 A CB -0.270 18.745 19.000 0.024 0.000 0.789 113 A HN 0.733 nan 8.150 nan 0.000 0.465 114 S N -1.271 114.415 115.700 -0.023 0.000 2.515 114 S HA 0.066 4.536 4.470 -0.001 0.000 0.231 114 S C -0.090 174.270 174.600 -0.400 0.000 0.987 114 S CA 0.540 58.601 58.200 -0.232 0.000 0.936 114 S CB -0.310 62.667 63.200 -0.371 0.000 0.766 114 S HN 0.626 nan 8.310 nan 0.000 0.528 115 Y N 0.846 121.184 120.300 0.063 0.000 2.509 115 Y HA 0.723 5.273 4.550 -0.001 0.000 0.341 115 Y C 0.083 175.985 175.900 0.003 0.000 1.038 115 Y CA -1.279 56.849 58.100 0.047 0.000 1.089 115 Y CB 1.163 39.648 38.460 0.041 0.000 1.241 115 Y HN 0.028 nan 8.280 nan 0.000 0.468 116 M N 0.485 120.155 119.600 0.118 0.000 2.895 116 M HA 0.541 5.021 4.480 -0.001 0.000 0.271 116 M C -2.109 174.194 176.300 0.005 0.000 1.174 116 M CA -0.824 54.507 55.300 0.052 0.000 0.816 116 M CB 1.780 34.403 32.600 0.039 0.000 1.647 116 M HN 0.509 nan 8.290 nan 0.000 0.506 117 I N 2.564 123.141 120.570 0.011 0.000 2.389 117 I HA 0.129 4.298 4.170 -0.001 0.000 0.295 117 I C 0.886 177.010 176.117 0.012 0.000 1.117 117 I CA 0.046 61.350 61.300 0.006 0.000 1.317 117 I CB 0.358 38.377 38.000 0.032 0.000 1.431 117 I HN 0.695 nan 8.210 nan 0.000 0.521 118 K N 2.904 123.304 120.400 -0.000 0.000 2.242 118 K HA 0.027 4.347 4.320 -0.001 0.000 0.200 118 K C 0.352 176.968 176.600 0.026 0.000 1.050 118 K CA 0.562 56.863 56.287 0.023 0.000 0.981 118 K CB 0.273 32.800 32.500 0.046 0.000 0.795 118 K HN 0.480 nan 8.250 nan 0.000 0.477 119 D N 1.115 121.530 120.400 0.024 0.000 2.477 119 D HA 0.083 4.723 4.640 -0.001 0.000 0.239 119 D C 0.508 176.835 176.300 0.046 0.000 1.102 119 D CA -0.082 53.936 54.000 0.031 0.000 0.901 119 D CB 0.791 41.612 40.800 0.035 0.000 1.026 119 D HN -0.045 nan 8.370 nan 0.000 0.515 120 R N 1.534 122.056 120.500 0.037 0.000 2.092 120 R HA -0.090 4.249 4.340 -0.001 0.000 0.231 120 R C 1.328 177.664 176.300 0.059 0.000 1.119 120 R CA 1.385 57.519 56.100 0.057 0.000 0.970 120 R CB 0.289 30.584 30.300 -0.009 0.000 0.864 120 R HN 0.251 nan 8.270 nan 0.000 0.440 121 T N 0.765 115.322 114.554 0.005 0.000 2.746 121 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 121 T C 1.626 176.370 174.700 0.075 0.000 1.039 121 T CA 1.638 63.743 62.100 0.008 0.000 1.142 121 T CB -0.132 68.734 68.868 -0.004 0.000 0.866 121 T HN 0.194 nan 8.240 nan 0.000 0.444 122 K N 0.952 121.395 120.400 0.071 0.000 2.032 122 K HA -0.055 4.265 4.320 -0.001 0.000 0.209 122 K C 2.099 178.765 176.600 0.110 0.000 1.048 122 K CA 0.934 57.271 56.287 0.083 0.000 0.927 122 K CB -0.716 31.827 32.500 0.072 0.000 0.712 122 K HN 0.173 nan 8.250 nan 0.000 0.441 123 L N 0.898 122.197 121.223 0.126 0.000 1.990 123 L HA -0.247 4.093 4.340 -0.001 0.000 0.213 123 L C 2.055 178.996 176.870 0.118 0.000 1.072 123 L CA 2.055 56.971 54.840 0.127 0.000 0.755 123 L CB -0.852 41.295 42.059 0.147 0.000 0.889 123 L HN 0.418 nan 8.230 nan 0.000 0.432 124 H N -0.978 118.104 119.070 0.020 0.000 2.387 124 H HA -0.092 4.463 4.556 -0.001 0.000 0.299 124 H C 2.324 177.654 175.328 0.003 0.000 1.090 124 H CA 1.522 57.576 56.048 0.010 0.000 1.332 124 H CB 0.004 29.770 29.762 0.007 0.000 1.386 124 H HN 0.600 nan 8.280 nan 0.000 0.516 125 S N 0.745 116.520 115.700 0.126 0.000 2.383 125 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 125 S C 2.222 176.834 174.600 0.019 0.000 1.026 125 S CA 0.721 58.957 58.200 0.061 0.000 0.981 125 S CB -0.634 62.601 63.200 0.058 0.000 0.818 125 S HN 0.260 nan 8.310 nan 0.000 0.472 126 I N 2.606 123.196 120.570 0.033 0.000 2.179 126 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 126 I C 3.102 179.174 176.117 -0.074 0.000 1.088 126 I CA 1.146 62.442 61.300 -0.005 0.000 1.357 126 I CB -0.746 37.309 38.000 0.091 0.000 1.051 126 I HN 0.399 nan 8.210 nan 0.000 0.409 127 A N 0.756 123.547 122.820 -0.048 0.000 1.892 127 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 127 A C 2.390 179.916 177.584 -0.095 0.000 1.188 127 A CA 2.258 54.245 52.037 -0.084 0.000 0.631 127 A CB -0.637 18.291 19.000 -0.120 0.000 0.822 127 A HN 0.375 nan 8.150 nan 0.000 0.447 128 K N -0.745 119.613 120.400 -0.069 0.000 2.057 128 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 128 K C 2.371 178.915 176.600 -0.094 0.000 1.049 128 K CA 1.444 57.694 56.287 -0.062 0.000 0.931 128 K CB -0.198 32.286 32.500 -0.026 0.000 0.714 128 K HN 0.423 nan 8.250 nan 0.000 0.440 129 R N 0.516 120.946 120.500 -0.117 0.000 2.096 129 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 129 R C 2.020 178.178 176.300 -0.236 0.000 1.127 129 R CA 1.229 57.226 56.100 -0.171 0.000 0.968 129 R CB -0.116 30.065 30.300 -0.197 0.000 0.861 129 R HN 0.253 nan 8.270 nan 0.000 0.440 130 L N -0.756 120.309 121.223 -0.264 0.000 2.554 130 L HA 0.128 4.468 4.340 -0.001 0.000 0.226 130 L C 1.194 177.956 176.870 -0.181 0.000 1.137 130 L CA 0.641 55.306 54.840 -0.292 0.000 0.863 130 L CB 0.197 42.061 42.059 -0.326 0.000 0.985 130 L HN 0.555 nan 8.230 nan 0.000 0.451 131 G N 0.840 109.558 108.800 -0.136 0.000 2.136 131 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.242 131 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.242 131 G C 0.154 175.008 174.900 -0.077 0.000 0.989 131 G CA -0.303 44.739 45.100 -0.096 0.000 0.682 131 G HN 0.276 nan 8.290 nan 0.000 0.522 132 I N 2.928 123.449 120.570 -0.083 0.000 2.352 132 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 132 I C -1.415 174.661 176.117 -0.067 0.000 1.036 132 I CA -2.153 59.107 61.300 -0.067 0.000 1.336 132 I CB 1.082 39.043 38.000 -0.065 0.000 1.407 132 I HN -0.064 nan 8.210 nan 0.000 0.497 133 P HA 0.065 nan 4.420 nan 0.000 0.271 133 P C 0.349 177.609 177.300 -0.066 0.000 1.216 133 P CA -0.104 62.968 63.100 -0.048 0.000 0.776 133 P CB 1.019 32.700 31.700 -0.031 0.000 0.881 134 T N -1.844 112.671 114.554 -0.065 0.000 3.026 134 T HA -0.007 4.343 4.350 -0.001 0.000 0.245 134 T C 0.592 175.285 174.700 -0.011 0.000 1.004 134 T CA -0.223 61.819 62.100 -0.096 0.000 1.069 134 T CB -0.509 68.267 68.868 -0.153 0.000 1.005 134 T HN 0.461 nan 8.240 nan 0.000 0.472 135 E N 3.087 123.294 120.200 0.011 0.000 3.072 135 E HA 0.131 4.481 4.350 -0.001 0.000 0.241 135 E C 1.158 177.769 176.600 0.018 0.000 0.962 135 E CA 0.843 57.258 56.400 0.024 0.000 0.955 135 E CB -0.979 28.729 29.700 0.014 0.000 0.899 135 E HN 0.832 nan 8.360 nan 0.000 0.547 136 G N 3.033 111.851 108.800 0.030 0.000 2.153 136 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 136 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 136 G C -0.128 174.784 174.900 0.020 0.000 0.994 136 G CA 0.340 45.454 45.100 0.023 0.000 0.698 136 G HN 0.558 nan 8.290 nan 0.000 0.521 137 Q N -0.114 119.698 119.800 0.020 0.000 2.274 137 Q HA 0.464 4.804 4.340 -0.001 0.000 0.260 137 Q C 0.425 176.441 176.000 0.026 0.000 0.974 137 Q CA -0.605 55.203 55.803 0.008 0.000 0.876 137 Q CB 1.445 30.169 28.738 -0.022 0.000 1.297 137 Q HN 0.432 nan 8.270 nan 0.000 0.446 138 K N 1.434 121.848 120.400 0.023 0.000 2.436 138 K HA -0.032 4.287 4.320 -0.001 0.000 0.275 138 K C 0.499 177.121 176.600 0.036 0.000 0.999 138 K CA -0.160 56.147 56.287 0.035 0.000 0.980 138 K CB 0.556 33.071 32.500 0.025 0.000 0.919 138 K HN 0.413 nan 8.250 nan 0.000 0.484 139 D N 2.703 123.146 120.400 0.072 0.000 2.133 139 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 139 D C 1.295 177.618 176.300 0.038 0.000 0.997 139 D CA 1.573 55.623 54.000 0.084 0.000 0.840 139 D CB 0.170 41.044 40.800 0.125 0.000 0.947 139 D HN 0.510 nan 8.370 nan 0.000 0.452 140 E N 0.593 120.814 120.200 0.035 0.000 2.110 140 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 140 E C 1.618 178.228 176.600 0.017 0.000 0.988 140 E CA 0.973 57.389 56.400 0.026 0.000 0.804 140 E CB -0.056 29.660 29.700 0.027 0.000 0.745 140 E HN 0.299 nan 8.360 nan 0.000 0.458 141 D N -0.158 120.248 120.400 0.010 0.000 2.162 141 D HA -0.040 4.599 4.640 -0.001 0.000 0.203 141 D C 2.007 178.300 176.300 -0.011 0.000 0.967 141 D CA 0.605 54.607 54.000 0.003 0.000 0.840 141 D CB -0.096 40.705 40.800 0.002 0.000 0.972 141 D HN 0.197 nan 8.370 nan 0.000 0.482 142 I N 1.509 122.058 120.570 -0.035 0.000 2.163 142 I HA -0.264 3.905 4.170 -0.001 0.000 0.243 142 I C 2.530 178.626 176.117 -0.034 0.000 1.085 142 I CA 1.154 62.411 61.300 -0.072 0.000 1.347 142 I CB -0.224 37.667 38.000 -0.182 0.000 1.044 142 I HN -0.084 nan 8.210 nan 0.000 0.408 143 A N 0.552 123.366 122.820 -0.011 0.000 1.902 143 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 143 A C 2.245 179.843 177.584 0.023 0.000 1.181 143 A CA 1.462 53.508 52.037 0.015 0.000 0.623 143 A CB -0.786 18.227 19.000 0.021 0.000 0.818 143 A HN 0.380 nan 8.150 nan 0.000 0.443 144 L N -0.130 121.105 121.223 0.019 0.000 2.042 144 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 144 L C 2.150 179.039 176.870 0.031 0.000 1.076 144 L CA 2.276 57.131 54.840 0.025 0.000 0.749 144 L CB -0.629 41.443 42.059 0.022 0.000 0.893 144 L HN 0.344 nan 8.230 nan 0.000 0.432 145 E N -0.630 119.584 120.200 0.024 0.000 2.106 145 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 145 E C 2.356 178.991 176.600 0.058 0.000 0.984 145 E CA 1.371 57.789 56.400 0.030 0.000 0.806 145 E CB -0.562 29.141 29.700 0.006 0.000 0.750 145 E HN 0.412 nan 8.360 nan 0.000 0.458 146 V N 1.658 121.612 119.914 0.067 0.000 2.295 146 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 146 V C 2.447 178.643 176.094 0.170 0.000 1.049 146 V CA 1.826 64.212 62.300 0.143 0.000 1.024 146 V CB -0.904 30.999 31.823 0.134 0.000 0.648 146 V HN 0.247 nan 8.190 nan 0.000 0.447 147 A N -0.271 122.601 122.820 0.087 0.000 1.908 147 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 147 A C 2.292 179.899 177.584 0.039 0.000 1.181 147 A CA 2.123 54.182 52.037 0.037 0.000 0.627 147 A CB -0.450 18.556 19.000 0.011 0.000 0.818 147 A HN 0.554 nan 8.150 nan 0.000 0.445 148 K N -0.410 120.027 120.400 0.061 0.000 2.057 148 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 148 K C 2.323 178.986 176.600 0.104 0.000 1.050 148 K CA 1.056 57.386 56.287 0.072 0.000 0.935 148 K CB -0.325 32.215 32.500 0.067 0.000 0.715 148 K HN 0.440 nan 8.250 nan 0.000 0.439 149 A N 1.619 124.524 122.820 0.142 0.000 1.902 149 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 149 A C 2.376 180.142 177.584 0.303 0.000 1.181 149 A CA 1.920 54.084 52.037 0.211 0.000 0.623 149 A CB -0.771 18.368 19.000 0.231 0.000 0.818 149 A HN 0.340 nan 8.150 nan 0.000 0.443 150 A N -0.105 122.853 122.820 0.230 0.000 1.851 150 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 150 A C 2.184 179.818 177.584 0.085 0.000 1.195 150 A CA 1.680 53.650 52.037 -0.112 0.000 0.622 150 A CB -0.765 18.069 19.000 -0.277 0.000 0.831 150 A HN 0.485 nan 8.150 nan 0.000 0.444 151 L N -0.839 120.448 121.223 0.107 0.000 2.083 151 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 151 L C 3.051 180.062 176.870 0.235 0.000 1.083 151 L CA 0.948 55.897 54.840 0.182 0.000 0.752 151 L CB -0.534 41.528 42.059 0.003 0.000 0.899 151 L HN 0.460 nan 8.230 nan 0.000 0.433 152 A N -0.428 122.443 122.820 0.085 0.000 1.972 152 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 152 A C 1.825 179.171 177.584 -0.397 0.000 1.169 152 A CA 1.849 53.775 52.037 -0.186 0.000 0.635 152 A CB -0.474 18.505 19.000 -0.035 0.000 0.810 152 A HN 0.311 nan 8.150 nan 0.000 0.446 153 D N -1.232 119.084 120.400 -0.139 0.000 2.350 153 D HA -0.041 4.598 4.640 -0.001 0.000 0.216 153 D C 1.012 177.109 176.300 -0.337 0.000 0.968 153 D CA 0.659 54.532 54.000 -0.211 0.000 0.894 153 D CB -0.313 40.401 40.800 -0.143 0.000 0.909 153 D HN 0.531 nan 8.370 nan 0.000 0.520 154 F N -0.411 119.452 119.950 -0.144 0.000 2.558 154 F HA 0.049 4.576 4.527 -0.001 0.000 0.298 154 F C 0.971 176.809 175.800 0.064 0.000 1.119 154 F CA 0.377 58.368 58.000 -0.016 0.000 1.451 154 F CB -0.016 39.008 39.000 0.039 0.000 1.091 154 F HN 0.057 nan 8.300 nan 0.000 0.563 155 H N -3.071 116.102 119.070 0.171 0.000 2.894 155 H HA 0.507 5.062 4.556 -0.001 0.000 0.368 155 H C -0.654 174.688 175.328 0.023 0.000 1.181 155 H CA -1.548 54.571 56.048 0.118 0.000 1.146 155 H CB 0.219 30.053 29.762 0.119 0.000 1.839 155 H HN -0.086 nan 8.280 nan 0.000 0.557 156 E N 0.838 121.121 120.200 0.138 0.000 2.415 156 E HA 0.205 4.554 4.350 -0.001 0.000 0.262 156 E C -0.318 176.370 176.600 0.146 0.000 1.038 156 E CA 0.137 56.537 56.400 -0.001 0.000 0.921 156 E CB 0.649 30.282 29.700 -0.112 0.000 0.950 156 E HN 0.726 nan 8.360 nan 0.000 0.438 157 K N 0.329 120.751 120.400 0.037 0.000 2.491 157 K HA 0.133 4.453 4.320 -0.001 0.000 0.275 157 K C -0.587 176.016 176.600 0.005 0.000 0.982 157 K CA -0.633 55.688 56.287 0.057 0.000 0.794 157 K CB 0.147 32.682 32.500 0.058 0.000 1.488 157 K HN 0.300 nan 8.250 nan 0.000 0.360 158 D N 0.052 120.455 120.400 0.006 0.000 2.355 158 D HA -0.026 4.613 4.640 -0.001 0.000 0.218 158 D C 0.141 176.428 176.300 -0.022 0.000 1.004 158 D CA 0.550 54.545 54.000 -0.007 0.000 0.880 158 D CB -0.157 40.642 40.800 -0.002 0.000 0.911 158 D HN 0.598 nan 8.370 nan 0.000 0.528 159 T N -3.014 111.522 114.554 -0.030 0.000 2.908 159 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 159 T C -2.775 171.893 174.700 -0.054 0.000 1.034 159 T CA -1.866 60.208 62.100 -0.044 0.000 1.010 159 T CB 2.772 71.611 68.868 -0.049 0.000 1.068 159 T HN -0.232 nan 8.240 nan 0.000 0.481 160 P HA 0.217 nan 4.420 nan 0.000 0.293 160 P C -0.208 177.051 177.300 -0.068 0.000 1.298 160 P CA -0.544 62.519 63.100 -0.061 0.000 0.757 160 P CB 0.286 31.954 31.700 -0.053 0.000 1.262 161 V N 1.626 121.501 119.914 -0.066 0.000 2.409 161 V HA -0.055 4.064 4.120 -0.001 0.000 0.270 161 V C 2.059 178.116 176.094 -0.062 0.000 1.019 161 V CA 0.477 62.740 62.300 -0.061 0.000 1.066 161 V CB -0.886 30.895 31.823 -0.070 0.000 1.021 161 V HN 0.389 nan 8.190 nan 0.000 0.476 162 L N 4.263 125.453 121.223 -0.055 0.000 2.131 162 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 162 L C 1.950 178.665 176.870 -0.259 0.000 1.092 162 L CA 1.487 56.228 54.840 -0.166 0.000 0.759 162 L CB -0.185 41.742 42.059 -0.220 0.000 0.903 162 L HN 0.670 nan 8.230 nan 0.000 0.435 163 W N -0.298 120.867 121.300 -0.224 0.000 2.961 163 W HA -0.006 4.653 4.660 -0.001 0.000 0.240 163 W C 1.667 177.991 176.519 -0.325 0.000 1.305 163 W CA 0.393 57.564 57.345 -0.289 0.000 1.465 163 W CB 0.165 29.490 29.460 -0.225 0.000 1.135 163 W HN 0.062 nan 8.180 nan 0.000 0.688 164 V N -0.529 119.314 119.914 -0.117 0.000 2.743 164 V HA -0.167 3.953 4.120 -0.001 0.000 0.237 164 V C 2.437 178.417 176.094 -0.189 0.000 1.113 164 V CA 2.200 64.403 62.300 -0.162 0.000 1.141 164 V CB -0.662 31.097 31.823 -0.108 0.000 0.873 164 V HN 0.040 nan 8.190 nan 0.000 0.486 165 T N -0.909 113.545 114.554 -0.166 0.000 2.962 165 T HA -0.151 4.198 4.350 -0.001 0.000 0.270 165 T C 1.568 176.156 174.700 -0.188 0.000 1.088 165 T CA 1.807 63.818 62.100 -0.150 0.000 1.127 165 T CB -0.536 68.260 68.868 -0.120 0.000 0.883 165 T HN 0.578 nan 8.240 nan 0.000 0.493 166 T N -0.494 113.899 114.554 -0.269 0.000 3.086 166 T HA 0.273 4.623 4.350 -0.001 0.000 0.250 166 T C 1.623 176.123 174.700 -0.333 0.000 1.074 166 T CA 0.281 62.204 62.100 -0.296 0.000 0.988 166 T CB 0.114 68.761 68.868 -0.367 0.000 0.988 166 T HN 0.467 nan 8.240 nan 0.000 0.530 167 V N -1.695 117.995 119.914 -0.374 0.000 3.645 167 V HA 0.546 4.665 4.120 -0.001 0.000 0.275 167 V C 0.261 176.238 176.094 -0.195 0.000 1.356 167 V CA -0.404 61.652 62.300 -0.406 0.000 1.051 167 V CB -0.329 30.953 31.823 -0.901 0.000 0.828 167 V HN 0.358 nan 8.190 nan 0.000 0.441 168 L N 1.321 122.449 121.223 -0.158 0.000 2.334 168 L HA 0.631 4.971 4.340 -0.001 0.000 0.273 168 L C -2.446 174.382 176.870 -0.070 0.000 1.013 168 L CA -2.109 52.679 54.840 -0.086 0.000 0.816 168 L CB 1.771 43.784 42.059 -0.077 0.000 1.278 168 L HN -0.022 nan 8.230 nan 0.000 0.431 169 P HA 0.081 nan 4.420 nan 0.000 0.268 169 P C -2.134 175.143 177.300 -0.038 0.000 1.208 169 P CA -0.959 62.119 63.100 -0.036 0.000 0.777 169 P CB 0.098 31.787 31.700 -0.019 0.000 0.875 170 P HA -0.251 nan 4.420 nan 0.000 0.217 170 P C 1.531 178.815 177.300 -0.026 0.000 1.151 170 P CA 1.994 65.072 63.100 -0.037 0.000 0.849 170 P CB -0.299 31.381 31.700 -0.035 0.000 0.787 171 S N -0.648 115.042 115.700 -0.018 0.000 2.382 171 S HA -0.193 4.277 4.470 -0.001 0.000 0.228 171 S C 2.134 176.732 174.600 -0.003 0.000 1.027 171 S CA 1.159 59.353 58.200 -0.009 0.000 0.991 171 S CB -0.866 62.332 63.200 -0.004 0.000 0.823 171 S HN -0.027 nan 8.310 nan 0.000 0.469 172 R N 1.768 122.265 120.500 -0.005 0.000 2.066 172 R HA 0.093 4.432 4.340 -0.001 0.000 0.232 172 R C 2.097 178.397 176.300 0.000 0.000 1.131 172 R CA 1.781 57.882 56.100 0.003 0.000 0.955 172 R CB -1.500 28.798 30.300 -0.002 0.000 0.851 172 R HN 0.337 nan 8.270 nan 0.000 0.432 173 V N 1.549 121.453 119.914 -0.018 0.000 2.392 173 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 173 V C 2.466 178.552 176.094 -0.013 0.000 1.059 173 V CA 2.255 64.540 62.300 -0.023 0.000 1.051 173 V CB -0.591 31.206 31.823 -0.045 0.000 0.658 173 V HN 0.429 nan 8.190 nan 0.000 0.455 174 K N -0.067 120.325 120.400 -0.013 0.000 2.026 174 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 174 K C 2.118 178.715 176.600 -0.005 0.000 1.048 174 K CA 1.718 57.996 56.287 -0.014 0.000 0.929 174 K CB -0.244 32.246 32.500 -0.017 0.000 0.713 174 K HN 0.307 nan 8.250 nan 0.000 0.439 175 V N 1.842 121.766 119.914 0.018 0.000 2.287 175 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 175 V C 2.328 178.491 176.094 0.114 0.000 1.053 175 V CA 1.754 64.090 62.300 0.059 0.000 1.027 175 V CB -0.356 31.517 31.823 0.083 0.000 0.646 175 V HN 0.332 nan 8.190 nan 0.000 0.447 176 L N -0.556 120.719 121.223 0.085 0.000 2.056 176 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 176 L C 2.685 179.600 176.870 0.075 0.000 1.078 176 L CA 1.731 56.629 54.840 0.098 0.000 0.749 176 L CB -0.661 41.429 42.059 0.052 0.000 0.901 176 L HN 0.328 nan 8.230 nan 0.000 0.433 177 S N -0.276 115.439 115.700 0.026 0.000 2.382 177 S HA -0.175 4.295 4.470 -0.001 0.000 0.228 177 S C 2.131 176.721 174.600 -0.017 0.000 1.027 177 S CA 1.200 59.403 58.200 0.004 0.000 0.991 177 S CB -0.102 63.090 63.200 -0.014 0.000 0.823 177 S HN 0.443 nan 8.310 nan 0.000 0.469 178 A N 0.619 123.404 122.820 -0.059 0.000 1.972 178 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 178 A C 1.716 179.157 177.584 -0.237 0.000 1.169 178 A CA 1.398 53.334 52.037 -0.167 0.000 0.635 178 A CB -0.722 18.127 19.000 -0.251 0.000 0.810 178 A HN 0.727 nan 8.150 nan 0.000 0.446 179 H N -1.304 117.770 119.070 0.008 0.000 2.529 179 H HA 0.257 4.812 4.556 -0.001 0.000 0.277 179 H C 1.521 176.858 175.328 0.015 0.000 1.004 179 H CA 0.453 56.509 56.048 0.012 0.000 1.167 179 H CB -0.072 29.700 29.762 0.016 0.000 1.445 179 H HN 0.611 nan 8.280 nan 0.000 0.554 180 G N 1.536 110.388 108.800 0.087 0.000 2.198 180 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.260 180 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.260 180 G C 0.931 175.874 174.900 0.072 0.000 1.025 180 G CA 0.424 45.562 45.100 0.063 0.000 0.769 180 G HN 0.438 nan 8.290 nan 0.000 0.507 181 L N -0.249 121.024 121.223 0.082 0.000 2.585 181 L HA 0.288 4.627 4.340 -0.001 0.000 0.226 181 L C 1.093 177.993 176.870 0.049 0.000 1.113 181 L CA -0.341 54.541 54.840 0.071 0.000 0.876 181 L CB -0.028 42.079 42.059 0.081 0.000 1.072 181 L HN 0.179 nan 8.230 nan 0.000 0.468 182 I N 2.606 123.196 120.570 0.034 0.000 2.517 182 I HA 0.128 4.297 4.170 -0.001 0.000 0.285 182 I C -1.898 174.230 176.117 0.017 0.000 1.106 182 I CA -2.196 59.111 61.300 0.012 0.000 1.402 182 I CB 0.079 38.075 38.000 -0.007 0.000 1.399 182 I HN -0.189 nan 8.210 nan 0.000 0.535 183 P HA 0.090 nan 4.420 nan 0.000 0.268 183 P C 0.305 177.611 177.300 0.009 0.000 1.205 183 P CA -0.146 62.973 63.100 0.031 0.000 0.771 183 P CB 0.858 32.568 31.700 0.015 0.000 0.858 184 A N 2.682 125.519 122.820 0.029 0.000 1.975 184 A HA 0.427 4.747 4.320 -0.001 0.000 0.215 184 A C 1.021 178.553 177.584 -0.087 0.000 1.170 184 A CA 1.388 53.385 52.037 -0.066 0.000 0.656 184 A CB -0.575 18.312 19.000 -0.188 0.000 0.821 184 A HN 0.674 nan 8.150 nan 0.000 0.449 185 G N -1.810 106.991 108.800 0.002 0.000 2.655 185 G HA2 0.437 4.396 3.960 -0.001 0.000 0.296 185 G HA3 0.437 4.396 3.960 -0.001 0.000 0.296 185 G C 0.236 175.173 174.900 0.061 0.000 1.485 185 G CA -0.510 44.594 45.100 0.007 0.000 0.869 185 G HN -0.023 nan 8.290 nan 0.000 0.540 186 I N 0.430 120.961 120.570 -0.065 0.000 2.113 186 I HA -0.099 4.071 4.170 -0.001 0.000 0.238 186 I C 2.046 178.230 176.117 0.112 0.000 1.070 186 I CA 1.157 62.417 61.300 -0.066 0.000 1.332 186 I CB 0.064 37.838 38.000 -0.377 0.000 1.044 186 I HN 0.398 nan 8.210 nan 0.000 0.402 187 D N -0.681 119.861 120.400 0.236 0.000 2.224 187 D HA -0.190 4.450 4.640 -0.001 0.000 0.205 187 D C 1.900 178.306 176.300 0.177 0.000 0.965 187 D CA 1.071 55.209 54.000 0.231 0.000 0.852 187 D CB -0.395 40.569 40.800 0.273 0.000 0.947 187 D HN 0.424 nan 8.370 nan 0.000 0.494 188 H N 1.410 120.549 119.070 0.115 0.000 2.289 188 H HA -0.115 4.441 4.556 -0.001 0.000 0.296 188 H C 1.734 177.107 175.328 0.075 0.000 1.091 188 H CA 1.927 58.030 56.048 0.092 0.000 1.274 188 H CB 0.305 30.119 29.762 0.085 0.000 1.364 188 H HN -0.069 nan 8.280 nan 0.000 0.490 189 E N 0.315 120.568 120.200 0.088 0.000 2.072 189 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 189 E C 2.631 179.231 176.600 0.001 0.000 0.985 189 E CA 1.111 57.528 56.400 0.028 0.000 0.801 189 E CB -0.212 29.543 29.700 0.093 0.000 0.750 189 E HN 0.610 nan 8.360 nan 0.000 0.452 190 I N 1.282 121.874 120.570 0.037 0.000 2.163 190 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 190 I C 2.523 178.645 176.117 0.008 0.000 1.085 190 I CA 1.296 62.618 61.300 0.036 0.000 1.347 190 I CB -0.394 37.643 38.000 0.062 0.000 1.044 190 I HN 0.006 nan 8.210 nan 0.000 0.408 191 A N 0.095 122.910 122.820 -0.008 0.000 1.902 191 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 191 A C 2.323 179.892 177.584 -0.025 0.000 1.181 191 A CA 2.002 54.027 52.037 -0.021 0.000 0.623 191 A CB -0.682 18.302 19.000 -0.026 0.000 0.818 191 A HN 0.506 nan 8.150 nan 0.000 0.443 192 E N -0.441 119.698 120.200 -0.101 0.000 2.110 192 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 192 E C 1.821 178.410 176.600 -0.018 0.000 0.988 192 E CA 1.022 57.378 56.400 -0.073 0.000 0.804 192 E CB -0.107 29.481 29.700 -0.186 0.000 0.745 192 E HN 0.515 nan 8.360 nan 0.000 0.458 193 I N 0.930 121.493 120.570 -0.011 0.000 2.179 193 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 193 I C 2.345 178.472 176.117 0.016 0.000 1.088 193 I CA 1.159 62.463 61.300 0.006 0.000 1.357 193 I CB -0.890 37.120 38.000 0.018 0.000 1.051 193 I HN 0.321 nan 8.210 nan 0.000 0.409 194 M N -0.696 118.915 119.600 0.018 0.000 2.159 194 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 194 M C 2.304 178.641 176.300 0.063 0.000 1.063 194 M CA 1.541 56.847 55.300 0.010 0.000 1.110 194 M CB -1.787 30.808 32.600 -0.008 0.000 1.374 194 M HN 0.403 nan 8.290 nan 0.000 0.411 195 H N 0.895 119.942 119.070 -0.038 0.000 2.276 195 H HA -0.139 4.417 4.556 -0.001 0.000 0.301 195 H C 2.298 177.621 175.328 -0.010 0.000 1.073 195 H CA 1.778 57.810 56.048 -0.027 0.000 1.311 195 H CB 0.077 29.819 29.762 -0.034 0.000 1.379 195 H HN 0.374 nan 8.280 nan 0.000 0.494 196 R N 0.800 121.242 120.500 -0.098 0.000 2.193 196 R HA -0.069 4.270 4.340 -0.001 0.000 0.229 196 R C 1.752 178.031 176.300 -0.035 0.000 1.110 196 R CA 1.727 57.721 56.100 -0.176 0.000 0.988 196 R CB -0.538 29.674 30.300 -0.147 0.000 0.871 196 R HN 0.380 nan 8.270 nan 0.000 0.458 197 T N -1.466 113.105 114.554 0.029 0.000 3.081 197 T HA 0.082 4.431 4.350 -0.001 0.000 0.250 197 T C 0.944 175.748 174.700 0.174 0.000 1.100 197 T CA 0.003 62.163 62.100 0.100 0.000 1.038 197 T CB 0.048 68.987 68.868 0.118 0.000 0.962 197 T HN 0.337 nan 8.240 nan 0.000 0.516 198 S N 1.909 117.672 115.700 0.105 0.000 2.608 198 S HA 0.454 4.923 4.470 -0.001 0.000 0.261 198 S C 0.492 175.165 174.600 0.121 0.000 1.314 198 S CA -0.993 57.270 58.200 0.105 0.000 0.992 198 S CB 0.247 63.496 63.200 0.082 0.000 0.935 198 S HN 0.352 nan 8.310 nan 0.000 0.564 199 M N 1.532 121.196 119.600 0.108 0.000 2.248 199 M HA 0.269 4.749 4.480 -0.001 0.000 0.345 199 M C 1.175 177.510 176.300 0.057 0.000 1.243 199 M CA 1.845 57.193 55.300 0.079 0.000 1.090 199 M CB -0.697 31.941 32.600 0.064 0.000 1.683 199 M HN 1.531 nan 8.290 nan 0.000 0.450 200 G N 3.849 112.672 108.800 0.038 0.000 2.176 200 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.252 200 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.252 200 G C 0.198 175.114 174.900 0.027 0.000 1.024 200 G CA 0.167 45.283 45.100 0.028 0.000 0.755 200 G HN 0.828 nan 8.290 nan 0.000 0.507 201 C N -1.223 118.089 119.300 0.020 0.000 2.951 201 C HA 0.631 5.091 4.460 -0.001 0.000 0.079 201 C C 0.938 175.912 174.990 -0.027 0.000 2.346 201 C CA 0.034 59.045 59.018 -0.012 0.000 1.858 201 C CB 0.243 27.962 27.740 -0.036 0.000 2.913 201 C HN 0.557 nan 8.230 nan 0.000 0.359 202 D N 0.542 120.914 120.400 -0.047 0.000 2.425 202 D HA 0.443 5.083 4.640 -0.001 0.000 0.247 202 D C -0.121 176.170 176.300 -0.015 0.000 1.147 202 D CA 0.493 54.472 54.000 -0.035 0.000 0.879 202 D CB 0.657 41.430 40.800 -0.044 0.000 1.179 202 D HN 0.616 nan 8.370 nan 0.000 0.456 203 A N 3.486 126.299 122.820 -0.013 0.000 2.897 203 A HA 0.245 4.565 4.320 -0.001 0.000 0.230 203 A C -0.480 177.099 177.584 -0.009 0.000 0.896 203 A CA -0.620 51.411 52.037 -0.011 0.000 1.114 203 A CB 0.124 19.118 19.000 -0.010 0.000 1.230 203 A HN 0.475 nan 8.150 nan 0.000 0.481 204 D N -0.422 119.973 120.400 -0.007 0.000 2.788 204 D HA 0.644 5.284 4.640 -0.001 0.000 0.247 204 D C 1.027 177.326 176.300 -0.001 0.000 1.236 204 D CA 0.316 54.314 54.000 -0.003 0.000 0.898 204 D CB 1.812 42.612 40.800 -0.000 0.000 1.401 204 D HN 0.116 nan 8.370 nan 0.000 0.549 205 A N 3.287 126.106 122.820 -0.002 0.000 1.883 205 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 205 A C 1.899 179.487 177.584 0.007 0.000 1.186 205 A CA 1.829 53.866 52.037 0.000 0.000 0.624 205 A CB -0.651 18.347 19.000 -0.002 0.000 0.822 205 A HN 0.632 nan 8.150 nan 0.000 0.444 206 Q N 0.203 120.009 119.800 0.009 0.000 2.061 206 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 206 Q C 1.916 177.925 176.000 0.016 0.000 0.984 206 Q CA 2.329 58.139 55.803 0.013 0.000 0.846 206 Q CB -0.487 28.259 28.738 0.013 0.000 0.902 206 Q HN 0.669 nan 8.270 nan 0.000 0.421 207 N N -0.749 117.959 118.700 0.013 0.000 2.120 207 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 207 N C 1.522 177.040 175.510 0.013 0.000 1.024 207 N CA 1.336 54.395 53.050 0.014 0.000 0.852 207 N CB -0.229 38.263 38.487 0.007 0.000 1.003 207 N HN 0.324 nan 8.380 nan 0.000 0.424 208 L N -0.015 121.214 121.223 0.009 0.000 2.046 208 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 208 L C 2.162 179.046 176.870 0.023 0.000 1.077 208 L CA 0.891 55.738 54.840 0.012 0.000 0.747 208 L CB -0.343 41.721 42.059 0.009 0.000 0.896 208 L HN 0.253 nan 8.230 nan 0.000 0.432 209 L N -0.939 120.299 121.223 0.025 0.000 2.093 209 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 209 L C 2.448 179.342 176.870 0.041 0.000 1.085 209 L CA 0.915 55.777 54.840 0.037 0.000 0.755 209 L CB -0.385 41.695 42.059 0.036 0.000 0.904 209 L HN 0.269 nan 8.230 nan 0.000 0.435 210 L N -0.395 120.847 121.223 0.032 0.000 2.042 210 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 210 L C 2.694 179.591 176.870 0.045 0.000 1.076 210 L CA 1.429 56.290 54.840 0.035 0.000 0.749 210 L CB -1.215 40.865 42.059 0.036 0.000 0.893 210 L HN 0.315 nan 8.230 nan 0.000 0.432 211 G N -0.210 108.613 108.800 0.039 0.000 2.440 211 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 211 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 211 G C 1.597 176.528 174.900 0.051 0.000 1.154 211 G CA 0.788 45.912 45.100 0.039 0.000 0.767 211 G HN 0.489 nan 8.290 nan 0.000 0.552 212 G N 0.986 109.819 108.800 0.055 0.000 2.446 212 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 212 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 212 G C 1.812 176.768 174.900 0.093 0.000 1.168 212 G CA 0.862 46.005 45.100 0.073 0.000 0.771 212 G HN 0.426 nan 8.290 nan 0.000 0.551 213 L N -0.175 121.099 121.223 0.086 0.000 2.012 213 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 213 L C 2.937 179.864 176.870 0.096 0.000 1.073 213 L CA 1.621 56.517 54.840 0.094 0.000 0.748 213 L CB -0.475 41.623 42.059 0.065 0.000 0.891 213 L HN 0.226 nan 8.230 nan 0.000 0.431 214 R N -0.367 120.180 120.500 0.078 0.000 2.081 214 R HA -0.217 4.123 4.340 -0.001 0.000 0.235 214 R C 2.533 178.882 176.300 0.081 0.000 1.131 214 R CA 2.028 58.172 56.100 0.074 0.000 0.960 214 R CB -0.623 29.718 30.300 0.067 0.000 0.856 214 R HN 0.415 nan 8.270 nan 0.000 0.436 215 C N 0.784 120.135 119.300 0.086 0.000 2.422 215 C HA -0.055 4.405 4.460 -0.001 0.000 0.279 215 C C 3.057 178.125 174.990 0.131 0.000 1.305 215 C CA 1.339 60.413 59.018 0.093 0.000 1.757 215 C CB -0.995 26.794 27.740 0.082 0.000 1.962 215 C HN 0.791 nan 8.230 nan 0.000 0.499 216 S N 0.316 116.114 115.700 0.163 0.000 2.382 216 S HA -0.097 4.372 4.470 -0.001 0.000 0.228 216 S C 1.764 176.523 174.600 0.264 0.000 1.027 216 S CA 1.632 59.991 58.200 0.265 0.000 0.991 216 S CB -0.724 62.642 63.200 0.277 0.000 0.823 216 S HN 0.688 nan 8.310 nan 0.000 0.469 217 L N 1.091 122.396 121.223 0.138 0.000 2.201 217 L HA 0.054 4.394 4.340 -0.001 0.000 0.212 217 L C 3.163 180.017 176.870 -0.027 0.000 1.105 217 L CA 0.918 55.770 54.840 0.021 0.000 0.775 217 L CB -0.789 41.278 42.059 0.013 0.000 0.913 217 L HN 0.487 nan 8.230 nan 0.000 0.440 218 A N 0.127 122.961 122.820 0.024 0.000 1.933 218 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 218 A C 1.948 179.542 177.584 0.016 0.000 1.175 218 A CA 2.099 54.135 52.037 -0.001 0.000 0.628 218 A CB -0.577 18.442 19.000 0.031 0.000 0.814 218 A HN 0.452 nan 8.150 nan 0.000 0.444 219 D N -0.739 119.729 120.400 0.115 0.000 2.097 219 D HA -0.159 4.481 4.640 -0.001 0.000 0.195 219 D C 1.801 178.140 176.300 0.064 0.000 0.989 219 D CA 1.313 55.444 54.000 0.218 0.000 0.827 219 D CB -0.149 40.913 40.800 0.438 0.000 0.966 219 D HN 0.228 nan 8.370 nan 0.000 0.456 220 L N 0.738 121.816 121.223 -0.242 0.000 2.013 220 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 220 L C 2.170 178.849 176.870 -0.319 0.000 1.073 220 L CA 2.343 56.713 54.840 -0.783 0.000 0.753 220 L CB -1.232 40.159 42.059 -1.113 0.000 0.890 220 L HN 0.121 nan 8.230 nan 0.000 0.432 221 A N -0.526 122.185 122.820 -0.181 0.000 1.883 221 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 221 A C 2.374 179.891 177.584 -0.111 0.000 1.186 221 A CA 1.779 53.771 52.037 -0.075 0.000 0.624 221 A CB -1.661 17.287 19.000 -0.087 0.000 0.822 221 A HN 0.563 nan 8.150 nan 0.000 0.444 222 G N -0.966 107.765 108.800 -0.114 0.000 2.440 222 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.218 222 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.218 222 G C 1.597 176.463 174.900 -0.057 0.000 1.154 222 G CA 1.326 46.385 45.100 -0.068 0.000 0.767 222 G HN 0.534 nan 8.290 nan 0.000 0.552 223 C N -0.981 118.270 119.300 -0.082 0.000 2.436 223 C HA -0.033 4.426 4.460 -0.001 0.000 0.277 223 C C 2.390 177.342 174.990 -0.063 0.000 1.241 223 C CA 0.750 59.681 59.018 -0.144 0.000 1.721 223 C CB -1.099 26.538 27.740 -0.172 0.000 2.043 223 C HN 0.516 nan 8.230 nan 0.000 0.472 224 Y N 0.735 120.961 120.300 -0.123 0.000 2.200 224 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 224 Y C 2.611 178.525 175.900 0.024 0.000 1.137 224 Y CA 1.723 59.825 58.100 0.003 0.000 1.163 224 Y CB -0.578 37.931 38.460 0.082 0.000 0.988 224 Y HN 0.280 nan 8.280 nan 0.000 0.518 225 M N -0.868 118.693 119.600 -0.066 0.000 2.080 225 M HA -0.152 4.328 4.480 -0.001 0.000 0.260 225 M C 2.273 178.474 176.300 -0.166 0.000 1.068 225 M CA 2.186 57.141 55.300 -0.576 0.000 1.109 225 M CB -0.689 31.328 32.600 -0.971 0.000 1.342 225 M HN 0.351 nan 8.290 nan 0.000 0.405 226 G N -0.716 108.046 108.800 -0.063 0.000 2.446 226 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 226 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 226 G C 1.310 176.262 174.900 0.086 0.000 1.168 226 G CA 1.523 46.656 45.100 0.055 0.000 0.771 226 G HN 0.481 nan 8.290 nan 0.000 0.551 227 T N 0.789 115.362 114.554 0.031 0.000 2.737 227 T HA -0.068 4.282 4.350 -0.001 0.000 0.265 227 T C 2.040 176.788 174.700 0.081 0.000 1.038 227 T CA 1.382 63.501 62.100 0.032 0.000 1.144 227 T CB -0.289 68.531 68.868 -0.079 0.000 0.866 227 T HN 0.133 nan 8.240 nan 0.000 0.434 228 D N 1.119 121.606 120.400 0.145 0.000 2.092 228 D HA -0.039 4.601 4.640 -0.001 0.000 0.193 228 D C 2.135 178.527 176.300 0.154 0.000 0.994 228 D CA 0.936 55.070 54.000 0.224 0.000 0.828 228 D CB -0.374 40.709 40.800 0.472 0.000 0.963 228 D HN 0.297 nan 8.370 nan 0.000 0.450 229 L N 0.357 121.647 121.223 0.112 0.000 2.056 229 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 229 L C 2.530 179.426 176.870 0.044 0.000 1.078 229 L CA 1.000 55.875 54.840 0.059 0.000 0.749 229 L CB -0.387 41.683 42.059 0.019 0.000 0.901 229 L HN -0.035 nan 8.230 nan 0.000 0.433 230 A N -0.039 122.858 122.820 0.128 0.000 1.902 230 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 230 A C 1.899 179.586 177.584 0.172 0.000 1.181 230 A CA 1.978 54.160 52.037 0.242 0.000 0.623 230 A CB -0.496 18.698 19.000 0.325 0.000 0.818 230 A HN 0.333 nan 8.150 nan 0.000 0.443 231 D N 0.087 120.555 120.400 0.114 0.000 2.097 231 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 231 D C 1.829 178.152 176.300 0.038 0.000 0.989 231 D CA 1.194 55.242 54.000 0.079 0.000 0.827 231 D CB -0.387 40.454 40.800 0.068 0.000 0.966 231 D HN 0.514 nan 8.370 nan 0.000 0.456 232 I N 0.322 120.905 120.570 0.021 0.000 2.151 232 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 232 I C 2.372 178.433 176.117 -0.093 0.000 1.080 232 I CA 0.923 62.219 61.300 -0.006 0.000 1.339 232 I CB -0.143 37.864 38.000 0.011 0.000 1.039 232 I HN -0.004 nan 8.210 nan 0.000 0.409 233 L N -1.083 119.987 121.223 -0.256 0.000 2.131 233 L HA -0.116 4.224 4.340 -0.001 0.000 0.206 233 L C 1.613 178.123 176.870 -0.599 0.000 1.087 233 L CA 1.231 55.717 54.840 -0.591 0.000 0.767 233 L CB -0.122 41.240 42.059 -1.162 0.000 0.917 233 L HN 0.173 nan 8.230 nan 0.000 0.441 234 F N -1.057 118.951 119.950 0.097 0.000 2.767 234 F HA 0.474 5.001 4.527 -0.001 0.000 0.323 234 F C 0.955 176.790 175.800 0.058 0.000 1.091 234 F CA -0.091 57.969 58.000 0.099 0.000 1.192 234 F CB 0.254 39.317 39.000 0.105 0.000 1.056 234 F HN -0.047 nan 8.300 nan 0.000 0.571 235 G N 0.653 109.539 108.800 0.143 0.000 2.770 235 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.686 235 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.686 235 G C -0.539 174.386 174.900 0.042 0.000 1.180 235 G CA -1.107 44.038 45.100 0.075 0.000 0.767 235 G HN -0.035 nan 8.290 nan 0.000 0.646 236 T N 4.380 118.946 114.554 0.021 0.000 2.814 236 T HA 0.503 4.852 4.350 -0.001 0.000 0.297 236 T C -1.689 172.992 174.700 -0.032 0.000 0.956 236 T CA -0.227 61.875 62.100 0.004 0.000 1.123 236 T CB 1.083 69.957 68.868 0.010 0.000 0.902 236 T HN 0.503 nan 8.240 nan 0.000 0.528 237 P HA 0.378 nan 4.420 nan 0.000 0.267 237 P C -0.995 176.238 177.300 -0.112 0.000 1.200 237 P CA -0.214 62.822 63.100 -0.107 0.000 0.772 237 P CB 0.481 32.106 31.700 -0.125 0.000 0.855 238 A N 3.690 126.422 122.820 -0.147 0.000 2.479 238 A HA 0.731 5.051 4.320 -0.001 0.000 0.296 238 A C -2.749 174.671 177.584 -0.274 0.000 1.121 238 A CA -2.053 49.878 52.037 -0.176 0.000 0.743 238 A CB 0.357 19.290 19.000 -0.112 0.000 1.323 238 A HN 0.305 nan 8.150 nan 0.000 0.415 239 P HA 0.233 nan 4.420 nan 0.000 0.262 239 P C -0.710 176.434 177.300 -0.259 0.000 1.182 239 P CA 0.489 63.294 63.100 -0.493 0.000 0.761 239 P CB 0.565 31.994 31.700 -0.452 0.000 0.795 240 V N 4.449 124.227 119.914 -0.228 0.000 3.049 240 V HA 0.476 4.596 4.120 -0.001 0.000 0.309 240 V C -1.106 174.948 176.094 -0.067 0.000 1.148 240 V CA -0.849 61.379 62.300 -0.120 0.000 0.990 240 V CB 2.778 34.532 31.823 -0.115 0.000 1.039 240 V HN 0.115 nan 8.190 nan 0.000 0.430 241 V N 4.619 124.515 119.914 -0.030 0.000 2.459 241 V HA 0.828 4.947 4.120 -0.001 0.000 0.295 241 V C 0.148 176.244 176.094 0.005 0.000 1.029 241 V CA 0.192 62.493 62.300 0.001 0.000 0.874 241 V CB 1.432 33.260 31.823 0.010 0.000 0.985 241 V HN 1.111 nan 8.190 nan 0.000 0.438 242 T N 3.297 117.862 114.554 0.019 0.000 2.606 242 T HA 0.562 4.911 4.350 -0.001 0.000 0.289 242 T C -1.520 173.197 174.700 0.029 0.000 1.113 242 T CA -0.393 61.718 62.100 0.019 0.000 1.106 242 T CB 1.925 70.801 68.868 0.015 0.000 1.611 242 T HN 0.735 nan 8.240 nan 0.000 0.471 243 E N 0.055 120.272 120.200 0.028 0.000 2.416 243 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 243 E C -1.471 175.151 176.600 0.038 0.000 0.935 243 E CA -0.952 55.466 56.400 0.030 0.000 0.784 243 E CB 2.216 31.926 29.700 0.016 0.000 1.301 243 E HN 0.704 nan 8.360 nan 0.000 0.454 244 S N 1.214 116.938 115.700 0.039 0.000 2.618 244 S HA 0.700 5.170 4.470 -0.001 0.000 0.277 244 S C -0.454 174.159 174.600 0.023 0.000 1.138 244 S CA -0.499 57.730 58.200 0.048 0.000 0.844 244 S CB 1.846 65.105 63.200 0.098 0.000 1.127 244 S HN 0.858 nan 8.310 nan 0.000 0.474 245 N N -0.777 117.933 118.700 0.017 0.000 6.490 245 N HA -0.151 4.588 4.740 -0.001 0.000 0.412 245 N C 0.243 175.744 175.510 -0.016 0.000 1.101 245 N CA 0.172 53.220 53.050 -0.003 0.000 1.820 245 N CB -0.910 37.567 38.487 -0.017 0.000 0.745 245 N HN 0.676 nan 8.380 nan 0.000 0.448 246 L N 0.443 121.656 121.223 -0.016 0.000 2.187 246 L HA -0.074 4.265 4.340 -0.001 0.000 0.213 246 L C 2.397 179.260 176.870 -0.011 0.000 1.100 246 L CA 1.713 56.544 54.840 -0.016 0.000 0.765 246 L CB -0.729 41.325 42.059 -0.008 0.000 0.904 246 L HN 0.778 nan 8.230 nan 0.000 0.437 247 G N 0.085 108.879 108.800 -0.009 0.000 2.535 247 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.218 247 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.218 247 G C 1.574 176.471 174.900 -0.005 0.000 1.122 247 G CA 0.860 45.956 45.100 -0.006 0.000 0.769 247 G HN 0.405 nan 8.290 nan 0.000 0.549 248 V N -1.297 118.613 119.914 -0.008 0.000 3.141 248 V HA 0.291 4.411 4.120 -0.001 0.000 0.265 248 V C 1.260 177.349 176.094 -0.009 0.000 1.126 248 V CA 0.058 62.353 62.300 -0.009 0.000 1.141 248 V CB -0.586 31.230 31.823 -0.012 0.000 0.743 248 V HN 0.174 nan 8.190 nan 0.000 0.492 249 L N 1.330 122.549 121.223 -0.008 0.000 2.439 249 L HA 0.346 4.686 4.340 -0.001 0.000 0.269 249 L C 0.307 177.183 176.870 0.010 0.000 1.179 249 L CA 0.391 55.232 54.840 0.000 0.000 0.828 249 L CB 0.390 42.451 42.059 0.003 0.000 1.106 249 L HN 0.182 nan 8.230 nan 0.000 0.467 250 K N 1.382 121.793 120.400 0.019 0.000 2.545 250 K HA 0.374 4.694 4.320 -0.001 0.000 0.252 250 K C 0.390 177.027 176.600 0.062 0.000 0.948 250 K CA -0.424 55.880 56.287 0.028 0.000 0.827 250 K CB 1.894 34.402 32.500 0.014 0.000 1.128 250 K HN 0.649 nan 8.250 nan 0.000 0.429 251 A N 2.328 125.186 122.820 0.064 0.000 1.978 251 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 251 A C 1.305 178.992 177.584 0.172 0.000 1.170 251 A CA 2.132 54.223 52.037 0.090 0.000 0.636 251 A CB -0.372 18.660 19.000 0.053 0.000 0.810 251 A HN 0.853 nan 8.150 nan 0.000 0.448 252 D N -0.915 119.574 120.400 0.149 0.000 2.328 252 D HA 0.439 5.078 4.640 -0.001 0.000 0.221 252 D C 0.431 176.806 176.300 0.125 0.000 1.072 252 D CA 0.566 54.689 54.000 0.206 0.000 0.850 252 D CB -0.262 40.605 40.800 0.113 0.000 0.922 252 D HN 0.399 nan 8.370 nan 0.000 0.516 253 A N -0.029 122.828 122.820 0.062 0.000 2.322 253 A HA 0.597 4.917 4.320 -0.001 0.000 0.327 253 A C -0.320 177.153 177.584 -0.184 0.000 1.134 253 A CA -0.835 51.115 52.037 -0.144 0.000 0.831 253 A CB 1.588 20.540 19.000 -0.080 0.000 1.288 253 A HN 0.027 nan 8.150 nan 0.000 0.472 254 V N 3.133 122.817 119.914 -0.384 0.000 2.397 254 V HA 0.071 4.191 4.120 -0.001 0.000 0.262 254 V C -0.118 175.949 176.094 -0.045 0.000 1.047 254 V CA -0.381 61.817 62.300 -0.171 0.000 1.003 254 V CB -0.484 31.212 31.823 -0.210 0.000 1.037 254 V HN 0.711 nan 8.190 nan 0.000 0.480 255 N N 4.353 123.076 118.700 0.037 0.000 2.419 255 N HA 0.372 5.112 4.740 -0.001 0.000 0.264 255 N C -0.743 174.774 175.510 0.011 0.000 1.031 255 N CA -0.196 52.864 53.050 0.017 0.000 0.951 255 N CB 2.192 40.698 38.487 0.032 0.000 1.101 255 N HN 0.400 nan 8.380 nan 0.000 0.488 256 V N 1.520 121.427 119.914 -0.013 0.000 2.407 256 V HA 0.471 4.591 4.120 -0.001 0.000 0.291 256 V C 0.063 176.140 176.094 -0.027 0.000 1.018 256 V CA -1.016 61.275 62.300 -0.016 0.000 0.842 256 V CB 1.329 33.135 31.823 -0.028 0.000 0.996 256 V HN 0.699 nan 8.190 nan 0.000 0.426 257 A N 4.850 127.657 122.820 -0.022 0.000 2.301 257 A HA 0.751 5.071 4.320 -0.001 0.000 0.298 257 A C -0.067 177.503 177.584 -0.025 0.000 1.185 257 A CA -0.467 51.550 52.037 -0.035 0.000 0.830 257 A CB 1.035 20.011 19.000 -0.040 0.000 1.112 257 A HN 1.313 nan 8.150 nan 0.000 0.508 258 V N 1.549 121.438 119.914 -0.042 0.000 2.432 258 V HA 0.679 4.799 4.120 -0.001 0.000 0.275 258 V C -0.331 175.769 176.094 0.010 0.000 1.043 258 V CA -0.354 61.920 62.300 -0.043 0.000 0.925 258 V CB 0.735 32.507 31.823 -0.086 0.000 0.985 258 V HN 0.957 nan 8.190 nan 0.000 0.466 259 H N 2.666 121.670 119.070 -0.109 0.000 2.894 259 H HA 0.827 5.382 4.556 -0.001 0.000 0.367 259 H C 0.104 175.376 175.328 -0.093 0.000 1.144 259 H CA 0.292 56.284 56.048 -0.094 0.000 1.180 259 H CB 1.772 31.499 29.762 -0.058 0.000 1.758 259 H HN 1.352 nan 8.280 nan 0.000 0.541 260 G N 2.744 111.565 108.800 0.035 0.000 2.395 260 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.201 260 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.201 260 G C -0.488 174.305 174.900 -0.178 0.000 1.206 260 G CA 0.332 45.410 45.100 -0.037 0.000 1.210 260 G HN 0.663 nan 8.290 nan 0.000 0.557 261 H N -0.027 118.998 119.070 -0.074 0.000 2.916 261 H HA 0.304 4.859 4.556 -0.000 0.000 0.229 261 H C 0.797 176.108 175.328 -0.028 0.000 0.917 261 H CA 0.431 56.520 56.048 0.067 0.000 1.048 261 H CB 0.428 30.372 29.762 0.304 0.000 1.417 261 H HN 0.374 nan 8.280 nan 0.000 0.445 262 N N 3.086 121.647 118.700 -0.231 0.000 2.419 262 N HA 0.083 4.823 4.740 -0.001 0.000 0.264 262 N C -1.871 173.458 175.510 -0.302 0.000 1.031 262 N CA -1.861 50.948 53.050 -0.401 0.000 0.951 262 N CB 1.694 39.880 38.487 -0.502 0.000 1.101 262 N HN 0.014 nan 8.380 nan 0.000 0.488 263 P HA -0.116 nan 4.420 nan 0.000 0.225 263 P C 1.154 178.148 177.300 -0.510 0.000 1.148 263 P CA 0.613 63.493 63.100 -0.367 0.000 0.779 263 P CB 0.307 31.797 31.700 -0.351 0.000 0.780 264 V N 0.040 119.825 119.914 -0.215 0.000 2.370 264 V HA -0.238 3.882 4.120 -0.001 0.000 0.252 264 V C 2.499 178.607 176.094 0.024 0.000 1.068 264 V CA 1.882 64.221 62.300 0.065 0.000 1.061 264 V CB -1.060 30.642 31.823 -0.201 0.000 0.656 264 V HN 0.105 nan 8.190 nan 0.000 0.455 265 L N 0.573 121.605 121.223 -0.318 0.000 2.116 265 L HA -0.019 4.321 4.340 -0.001 0.000 0.200 265 L C 2.725 179.349 176.870 -0.410 0.000 1.084 265 L CA 2.337 56.796 54.840 -0.635 0.000 0.766 265 L CB -0.895 40.732 42.059 -0.720 0.000 0.930 265 L HN 0.429 nan 8.230 nan 0.000 0.453 266 S N -1.429 114.069 115.700 -0.336 0.000 2.400 266 S HA -0.249 4.221 4.470 -0.001 0.000 0.232 266 S C 1.786 176.252 174.600 -0.224 0.000 1.025 266 S CA 1.507 59.560 58.200 -0.246 0.000 0.993 266 S CB -1.032 62.049 63.200 -0.199 0.000 0.808 266 S HN 0.598 nan 8.310 nan 0.000 0.478 267 D N 1.017 121.227 120.400 -0.316 0.000 2.144 267 D HA -0.035 4.605 4.640 -0.001 0.000 0.199 267 D C 1.817 178.001 176.300 -0.192 0.000 0.984 267 D CA 1.247 55.062 54.000 -0.307 0.000 0.834 267 D CB -0.080 40.291 40.800 -0.716 0.000 0.955 267 D HN 0.331 nan 8.370 nan 0.000 0.465 268 I N 0.839 121.334 120.570 -0.125 0.000 2.286 268 I HA -0.181 3.988 4.170 -0.001 0.000 0.245 268 I C 2.116 178.202 176.117 -0.051 0.000 1.104 268 I CA 0.597 61.871 61.300 -0.044 0.000 1.397 268 I CB -0.857 37.216 38.000 0.122 0.000 1.072 268 I HN 0.187 nan 8.210 nan 0.000 0.417 269 I N 0.749 121.274 120.570 -0.076 0.000 2.151 269 I HA -0.259 3.911 4.170 -0.001 0.000 0.243 269 I C 2.779 178.841 176.117 -0.091 0.000 1.080 269 I CA 1.352 62.607 61.300 -0.075 0.000 1.339 269 I CB -1.255 36.682 38.000 -0.105 0.000 1.039 269 I HN 0.038 nan 8.210 nan 0.000 0.409 270 V N 1.375 121.214 119.914 -0.126 0.000 2.261 270 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 270 V C 2.708 178.706 176.094 -0.159 0.000 1.047 270 V CA 2.231 64.441 62.300 -0.150 0.000 1.015 270 V CB -0.879 30.822 31.823 -0.204 0.000 0.642 270 V HN 0.576 nan 8.190 nan 0.000 0.446 271 S N -0.328 115.269 115.700 -0.172 0.000 2.368 271 S HA -0.140 4.330 4.470 -0.001 0.000 0.224 271 S C 1.936 176.480 174.600 -0.094 0.000 1.029 271 S CA 1.515 59.628 58.200 -0.144 0.000 0.988 271 S CB -0.561 62.559 63.200 -0.134 0.000 0.838 271 S HN 0.310 nan 8.310 nan 0.000 0.462 272 V N 2.159 122.029 119.914 -0.074 0.000 2.427 272 V HA -0.120 3.999 4.120 -0.001 0.000 0.248 272 V C 2.835 178.897 176.094 -0.053 0.000 1.051 272 V CA 1.904 64.173 62.300 -0.051 0.000 1.048 272 V CB -1.210 30.597 31.823 -0.025 0.000 0.666 272 V HN 0.525 nan 8.190 nan 0.000 0.456 273 S N -0.327 115.337 115.700 -0.061 0.000 2.387 273 S HA -0.273 4.197 4.470 -0.001 0.000 0.230 273 S C 2.004 176.565 174.600 -0.065 0.000 1.035 273 S CA 1.765 59.927 58.200 -0.062 0.000 1.014 273 S CB -0.285 62.873 63.200 -0.069 0.000 0.836 273 S HN 0.609 nan 8.310 nan 0.000 0.466 274 K N 0.833 121.190 120.400 -0.071 0.000 2.057 274 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 274 K C 2.235 178.802 176.600 -0.055 0.000 1.050 274 K CA 1.153 57.401 56.287 -0.065 0.000 0.935 274 K CB -0.126 32.331 32.500 -0.072 0.000 0.715 274 K HN 0.402 nan 8.250 nan 0.000 0.439 275 E N 0.578 120.746 120.200 -0.053 0.000 2.204 275 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 275 E C 1.346 177.922 176.600 -0.040 0.000 0.990 275 E CA 0.926 57.300 56.400 -0.043 0.000 0.821 275 E CB 0.148 29.824 29.700 -0.041 0.000 0.750 275 E HN 0.267 nan 8.360 nan 0.000 0.477 276 M N 0.152 119.725 119.600 -0.045 0.000 2.453 276 M HA 0.061 4.540 4.480 -0.001 0.000 0.239 276 M C 1.568 177.836 176.300 -0.053 0.000 1.151 276 M CA 0.016 55.290 55.300 -0.044 0.000 0.989 276 M CB 0.409 32.984 32.600 -0.041 0.000 1.548 276 M HN 0.076 nan 8.290 nan 0.000 0.479 277 E N 1.785 121.951 120.200 -0.056 0.000 2.086 277 E HA -0.257 4.093 4.350 -0.001 0.000 0.200 277 E C 1.236 177.799 176.600 -0.061 0.000 1.012 277 E CA 2.008 58.370 56.400 -0.064 0.000 0.812 277 E CB 0.062 29.728 29.700 -0.057 0.000 0.743 277 E HN 0.633 nan 8.360 nan 0.000 0.453 278 N N -0.219 118.453 118.700 -0.046 0.000 2.216 278 N HA -0.116 4.623 4.740 -0.001 0.000 0.183 278 N C 1.784 177.271 175.510 -0.037 0.000 1.017 278 N CA 0.847 53.873 53.050 -0.039 0.000 0.861 278 N CB 0.008 38.478 38.487 -0.029 0.000 0.986 278 N HN 0.200 nan 8.380 nan 0.000 0.428 279 E N 0.729 120.907 120.200 -0.037 0.000 2.085 279 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 279 E C 2.028 178.601 176.600 -0.045 0.000 0.994 279 E CA 1.101 57.481 56.400 -0.032 0.000 0.801 279 E CB -0.068 29.615 29.700 -0.028 0.000 0.743 279 E HN 0.402 nan 8.360 nan 0.000 0.453 280 A N 1.288 124.063 122.820 -0.074 0.000 1.902 280 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 280 A C 2.044 179.547 177.584 -0.135 0.000 1.181 280 A CA 1.230 53.191 52.037 -0.128 0.000 0.623 280 A CB -0.366 18.533 19.000 -0.169 0.000 0.818 280 A HN 0.108 nan 8.150 nan 0.000 0.443 281 R N -0.571 119.870 120.500 -0.097 0.000 2.092 281 R HA -0.043 4.297 4.340 -0.001 0.000 0.231 281 R C 2.427 178.709 176.300 -0.030 0.000 1.119 281 R CA 1.048 57.106 56.100 -0.070 0.000 0.970 281 R CB -0.527 29.741 30.300 -0.053 0.000 0.864 281 R HN 0.509 nan 8.270 nan 0.000 0.440 282 A N 1.482 124.288 122.820 -0.023 0.000 1.986 282 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 282 A C 2.156 179.752 177.584 0.020 0.000 1.171 282 A CA 1.815 53.852 52.037 -0.001 0.000 0.640 282 A CB -0.373 18.625 19.000 -0.003 0.000 0.811 282 A HN 0.382 nan 8.150 nan 0.000 0.451 283 A N -2.090 120.744 122.820 0.022 0.000 2.278 283 A HA 0.436 4.756 4.320 -0.001 0.000 0.212 283 A C 1.679 179.367 177.584 0.174 0.000 1.213 283 A CA 1.085 53.173 52.037 0.086 0.000 0.840 283 A CB -0.876 18.178 19.000 0.091 0.000 0.866 283 A HN 1.892 nan 8.150 nan 0.000 0.489 284 G N -2.177 106.691 108.800 0.113 0.000 2.157 284 G HA2 0.106 4.066 3.960 -0.001 0.000 0.239 284 G HA3 0.106 4.066 3.960 -0.001 0.000 0.239 284 G C 0.394 175.408 174.900 0.190 0.000 0.982 284 G CA 0.268 45.477 45.100 0.181 0.000 0.650 284 G HN 1.540 nan 8.290 nan 0.000 0.527 285 A N -0.286 122.447 122.820 -0.144 0.000 2.264 285 A HA 0.827 5.147 4.320 -0.001 0.000 0.304 285 A C 1.656 179.109 177.584 -0.218 0.000 1.100 285 A CA 1.068 52.810 52.037 -0.492 0.000 0.839 285 A CB 0.573 18.877 19.000 -1.160 0.000 1.121 285 A HN 1.304 nan 8.150 nan 0.000 0.496 286 T N -1.776 112.672 114.554 -0.176 0.000 2.951 286 T HA 0.431 4.781 4.350 -0.001 0.000 0.268 286 T C 0.931 175.559 174.700 -0.119 0.000 1.073 286 T CA 1.071 63.111 62.100 -0.101 0.000 1.134 286 T CB -0.279 68.552 68.868 -0.061 0.000 0.884 286 T HN 2.130 nan 8.240 nan 0.000 0.479 287 G N 0.190 108.884 108.800 -0.176 0.000 2.317 287 G HA2 0.429 4.389 3.960 -0.001 0.000 0.293 287 G HA3 0.429 4.389 3.960 -0.001 0.000 0.293 287 G C -1.899 172.893 174.900 -0.180 0.000 1.287 287 G CA -1.059 43.951 45.100 -0.149 0.000 0.850 287 G HN 0.332 nan 8.290 nan 0.000 0.515 288 I N 1.299 121.790 120.570 -0.132 0.000 2.315 288 I HA 0.265 4.435 4.170 -0.001 0.000 0.291 288 I C -0.308 175.756 176.117 -0.088 0.000 1.006 288 I CA -0.642 60.588 61.300 -0.117 0.000 1.265 288 I CB 1.608 39.552 38.000 -0.092 0.000 1.387 288 I HN 0.367 nan 8.210 nan 0.000 0.475 289 N N 6.690 125.344 118.700 -0.078 0.000 2.678 289 N HA 0.228 4.968 4.740 -0.001 0.000 0.231 289 N C -0.909 174.573 175.510 -0.046 0.000 1.038 289 N CA -0.337 52.680 53.050 -0.055 0.000 0.932 289 N CB 0.785 39.246 38.487 -0.042 0.000 1.176 289 N HN 0.260 nan 8.380 nan 0.000 0.511 290 V N 3.675 123.559 119.914 -0.050 0.000 2.508 290 V HA 0.264 4.383 4.120 -0.001 0.000 0.281 290 V C 0.478 176.546 176.094 -0.044 0.000 1.041 290 V CA -0.394 61.877 62.300 -0.049 0.000 1.016 290 V CB 0.660 32.448 31.823 -0.058 0.000 0.984 290 V HN 0.448 nan 8.190 nan 0.000 0.478 291 V N 2.401 122.286 119.914 -0.047 0.000 3.040 291 V HA 1.042 5.162 4.120 -0.001 0.000 0.312 291 V C 0.156 176.207 176.094 -0.071 0.000 1.115 291 V CA -0.497 61.771 62.300 -0.053 0.000 0.998 291 V CB 1.882 33.673 31.823 -0.053 0.000 1.042 291 V HN 0.877 nan 8.190 nan 0.000 0.433 292 G N 1.798 110.546 108.800 -0.087 0.000 2.400 292 G HA2 0.763 4.722 3.960 -0.001 0.000 0.333 292 G HA3 0.763 4.722 3.960 -0.001 0.000 0.333 292 G C -1.064 173.720 174.900 -0.193 0.000 1.143 292 G CA -0.798 44.238 45.100 -0.108 0.000 0.914 292 G HN 0.834 nan 8.290 nan 0.000 0.480 293 I N 0.572 121.015 120.570 -0.210 0.000 2.545 293 I HA 0.360 4.530 4.170 -0.001 0.000 0.292 293 I C 0.392 176.387 176.117 -0.204 0.000 1.040 293 I CA -0.390 60.698 61.300 -0.354 0.000 1.068 293 I CB 1.739 39.379 38.000 -0.600 0.000 1.251 293 I HN 0.707 nan 8.210 nan 0.000 0.424 294 C N 2.661 121.866 119.300 -0.157 0.000 0.168 294 C HA -0.269 4.190 4.460 -0.001 0.000 0.017 294 C C 2.131 177.106 174.990 -0.025 0.000 0.171 294 C CA -0.207 58.822 59.018 0.018 0.000 0.499 294 C CB -1.429 26.383 27.740 0.121 0.000 3.212 294 C HN 1.028 nan 8.230 nan 0.000 1.118 295 C N 0.177 119.362 119.300 -0.192 0.000 2.468 295 C HA -0.010 4.450 4.460 -0.001 0.000 0.277 295 C C 2.485 177.404 174.990 -0.118 0.000 1.400 295 C CA 1.686 60.617 59.018 -0.145 0.000 1.770 295 C CB -1.516 26.132 27.740 -0.154 0.000 1.905 295 C HN 0.958 nan 8.230 nan 0.000 0.519 296 T N 0.504 114.949 114.554 -0.182 0.000 2.788 296 T HA -0.068 4.281 4.350 -0.001 0.000 0.268 296 T C 1.974 176.627 174.700 -0.078 0.000 1.044 296 T CA 1.843 63.874 62.100 -0.115 0.000 1.139 296 T CB -0.437 68.353 68.868 -0.130 0.000 0.867 296 T HN 0.684 nan 8.240 nan 0.000 0.454 297 G N 1.794 110.555 108.800 -0.066 0.000 2.421 297 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 297 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 297 G C 1.677 176.572 174.900 -0.007 0.000 1.171 297 G CA 0.545 45.616 45.100 -0.050 0.000 0.775 297 G HN 0.385 nan 8.290 nan 0.000 0.543 298 N N 0.748 119.470 118.700 0.036 0.000 2.149 298 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 298 N C 2.176 177.674 175.510 -0.020 0.000 1.019 298 N CA 1.047 54.136 53.050 0.065 0.000 0.857 298 N CB -0.177 38.397 38.487 0.145 0.000 0.997 298 N HN 0.354 nan 8.380 nan 0.000 0.426 299 E N 0.459 120.645 120.200 -0.024 0.000 2.051 299 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 299 E C 2.124 178.668 176.600 -0.092 0.000 0.991 299 E CA 1.193 57.565 56.400 -0.047 0.000 0.799 299 E CB -0.370 29.308 29.700 -0.037 0.000 0.748 299 E HN 0.409 nan 8.360 nan 0.000 0.449 300 V N -0.645 119.231 119.914 -0.063 0.000 2.951 300 V HA -0.032 4.087 4.120 -0.001 0.000 0.255 300 V C 2.405 178.481 176.094 -0.030 0.000 1.088 300 V CA 0.872 63.168 62.300 -0.007 0.000 1.109 300 V CB -0.688 31.160 31.823 0.041 0.000 0.724 300 V HN 0.077 nan 8.190 nan 0.000 0.471 301 L N -0.707 120.486 121.223 -0.050 0.000 2.027 301 L HA -0.067 4.273 4.340 -0.001 0.000 0.206 301 L C 2.664 179.454 176.870 -0.133 0.000 1.074 301 L CA 1.903 56.708 54.840 -0.058 0.000 0.745 301 L CB -0.241 41.804 42.059 -0.022 0.000 0.898 301 L HN 0.175 nan 8.230 nan 0.000 0.433 302 M N -0.527 118.957 119.600 -0.192 0.000 2.159 302 M HA -0.175 4.304 4.480 -0.001 0.000 0.263 302 M C 2.377 178.533 176.300 -0.240 0.000 1.063 302 M CA 1.750 56.905 55.300 -0.242 0.000 1.110 302 M CB -1.015 31.447 32.600 -0.231 0.000 1.374 302 M HN 0.324 nan 8.290 nan 0.000 0.411 303 R N -1.534 118.771 120.500 -0.326 0.000 2.156 303 R HA 0.006 4.346 4.340 -0.001 0.000 0.207 303 R C 1.228 177.175 176.300 -0.590 0.000 1.040 303 R CA 0.702 56.485 56.100 -0.529 0.000 1.013 303 R CB 0.221 30.033 30.300 -0.815 0.000 0.931 303 R HN 0.491 nan 8.270 nan 0.000 0.465 304 H N -1.676 117.362 119.070 -0.053 0.000 3.233 304 H HA 0.236 4.792 4.556 -0.001 0.000 0.263 304 H C 0.972 176.271 175.328 -0.048 0.000 1.168 304 H CA 0.553 56.573 56.048 -0.047 0.000 1.159 304 H CB 1.420 31.152 29.762 -0.049 0.000 1.593 304 H HN 0.376 nan 8.280 nan 0.000 0.580 305 G N 1.917 110.724 108.800 0.010 0.000 2.160 305 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.251 305 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.251 305 G C 0.240 175.149 174.900 0.015 0.000 1.008 305 G CA 0.057 45.157 45.100 0.000 0.000 0.724 305 G HN 0.219 nan 8.290 nan 0.000 0.514 306 I N 2.227 122.814 120.570 0.028 0.000 2.668 306 I HA 0.122 4.292 4.170 -0.001 0.000 0.285 306 I C -1.208 174.909 176.117 0.001 0.000 1.168 306 I CA -1.937 59.370 61.300 0.011 0.000 1.424 306 I CB 0.046 38.053 38.000 0.011 0.000 1.377 306 I HN 0.041 nan 8.210 nan 0.000 0.560 307 P HA 0.134 nan 4.420 nan 0.000 0.271 307 P C -0.702 176.591 177.300 -0.012 0.000 1.216 307 P CA -0.487 62.614 63.100 0.001 0.000 0.776 307 P CB 0.830 32.528 31.700 -0.004 0.000 0.881 308 A N 2.534 125.356 122.820 0.005 0.000 2.362 308 A HA 0.184 4.504 4.320 -0.001 0.000 0.276 308 A C 1.544 179.079 177.584 -0.081 0.000 1.153 308 A CA -0.502 51.513 52.037 -0.038 0.000 0.813 308 A CB -0.496 18.543 19.000 0.065 0.000 1.081 308 A HN 0.767 nan 8.150 nan 0.000 0.507 309 C N 2.111 121.320 119.300 -0.151 0.000 2.543 309 C HA 0.362 4.821 4.460 -0.001 0.000 0.281 309 C C 1.360 176.249 174.990 -0.167 0.000 1.276 309 C CA 1.758 60.697 59.018 -0.131 0.000 1.700 309 C CB -0.224 27.440 27.740 -0.127 0.000 2.093 309 C HN 1.020 nan 8.230 nan 0.000 0.488 310 T N -2.833 111.524 114.554 -0.328 0.000 2.653 310 T HA 0.487 4.837 4.350 -0.001 0.000 0.306 310 T C -2.264 172.028 174.700 -0.679 0.000 1.426 310 T CA -0.419 61.492 62.100 -0.315 0.000 1.008 310 T CB 0.963 69.770 68.868 -0.101 0.000 1.692 310 T HN 0.568 nan 8.240 nan 0.000 0.483 311 H N -0.227 118.822 119.070 -0.035 0.000 3.012 311 H HA 0.720 5.276 4.556 -0.001 0.000 0.367 311 H C 0.447 175.776 175.328 0.002 0.000 1.211 311 H CA 0.372 56.401 56.048 -0.032 0.000 1.139 311 H CB 1.602 31.353 29.762 -0.018 0.000 1.838 311 H HN 0.831 nan 8.280 nan 0.000 0.550 312 S N -0.120 115.663 115.700 0.138 0.000 4.110 312 S HA -0.325 4.144 4.470 -0.001 0.000 0.573 312 S C 1.849 176.486 174.600 0.063 0.000 1.936 312 S CA 1.999 60.273 58.200 0.123 0.000 4.227 312 S CB -1.257 62.029 63.200 0.143 0.000 0.327 312 S HN 0.662 nan 8.310 nan 0.000 0.532 313 V N 2.481 122.412 119.914 0.029 0.000 2.469 313 V HA -0.088 4.032 4.120 -0.001 0.000 0.251 313 V C 2.249 178.274 176.094 -0.115 0.000 1.064 313 V CA 3.167 65.393 62.300 -0.123 0.000 1.066 313 V CB -0.706 30.991 31.823 -0.209 0.000 0.667 313 V HN 1.090 nan 8.190 nan 0.000 0.461 314 S N -0.173 115.590 115.700 0.104 0.000 2.634 314 S HA -0.028 4.442 4.470 -0.001 0.000 0.221 314 S C 1.621 176.291 174.600 0.116 0.000 0.952 314 S CA 0.416 58.759 58.200 0.238 0.000 0.930 314 S CB 0.007 63.404 63.200 0.328 0.000 0.780 314 S HN 0.866 nan 8.310 nan 0.000 0.498 315 Q N 1.793 121.613 119.800 0.033 0.000 2.181 315 Q HA -0.219 4.120 4.340 -0.001 0.000 0.205 315 Q C 1.398 177.404 176.000 0.009 0.000 0.980 315 Q CA 1.807 57.588 55.803 -0.037 0.000 0.862 315 Q CB -0.800 27.895 28.738 -0.073 0.000 0.905 315 Q HN 0.685 nan 8.270 nan 0.000 0.429 316 E N 0.400 120.635 120.200 0.059 0.000 2.204 316 E HA -0.133 4.217 4.350 -0.001 0.000 0.195 316 E C 1.955 178.602 176.600 0.078 0.000 0.990 316 E CA 1.138 57.583 56.400 0.075 0.000 0.821 316 E CB -0.067 29.689 29.700 0.094 0.000 0.750 316 E HN 0.403 nan 8.360 nan 0.000 0.477 317 M N 0.300 119.959 119.600 0.098 0.000 2.279 317 M HA -0.072 4.408 4.480 -0.001 0.000 0.264 317 M C 2.363 178.688 176.300 0.042 0.000 1.062 317 M CA 1.053 56.404 55.300 0.086 0.000 1.099 317 M CB -1.009 31.658 32.600 0.110 0.000 1.394 317 M HN 0.139 nan 8.290 nan 0.000 0.426 318 A N 0.304 123.135 122.820 0.017 0.000 1.940 318 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 318 A C 2.247 179.838 177.584 0.010 0.000 1.176 318 A CA 1.631 53.666 52.037 -0.004 0.000 0.631 318 A CB -0.539 18.438 19.000 -0.040 0.000 0.814 318 A HN 0.515 nan 8.150 nan 0.000 0.446 319 M N -0.567 119.047 119.600 0.022 0.000 2.200 319 M HA -0.045 4.435 4.480 -0.001 0.000 0.265 319 M C 1.719 178.037 176.300 0.029 0.000 1.066 319 M CA 0.987 56.304 55.300 0.028 0.000 1.127 319 M CB -0.433 32.190 32.600 0.038 0.000 1.379 319 M HN 0.250 nan 8.290 nan 0.000 0.420 320 I N 0.975 121.566 120.570 0.036 0.000 2.567 320 I HA -0.199 3.970 4.170 -0.001 0.000 0.257 320 I C 2.696 178.827 176.117 0.023 0.000 1.184 320 I CA 1.874 63.195 61.300 0.034 0.000 1.451 320 I CB -1.877 36.149 38.000 0.045 0.000 1.089 320 I HN 0.452 nan 8.210 nan 0.000 0.441 321 T N -0.976 113.590 114.554 0.020 0.000 2.778 321 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 321 T C 1.798 176.505 174.700 0.012 0.000 1.050 321 T CA 1.686 63.794 62.100 0.014 0.000 1.137 321 T CB -0.558 68.318 68.868 0.013 0.000 0.860 321 T HN 0.521 nan 8.240 nan 0.000 0.468 322 G N 0.581 109.389 108.800 0.014 0.000 2.195 322 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.246 322 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.246 322 G C 0.897 175.803 174.900 0.010 0.000 0.984 322 G CA 0.280 45.385 45.100 0.009 0.000 0.633 322 G HN 1.399 nan 8.290 nan 0.000 0.525 323 A N -0.788 122.044 122.820 0.020 0.000 2.348 323 A HA 0.723 5.043 4.320 -0.001 0.000 0.224 323 A C 0.780 178.394 177.584 0.050 0.000 1.227 323 A CA 0.600 52.659 52.037 0.037 0.000 0.885 323 A CB 0.239 19.263 19.000 0.040 0.000 0.933 323 A HN 1.061 nan 8.150 nan 0.000 0.506 324 L N 1.103 122.348 121.223 0.036 0.000 2.295 324 L HA 0.294 4.634 4.340 -0.001 0.000 0.288 324 L C 0.220 177.117 176.870 0.044 0.000 1.079 324 L CA 0.050 54.910 54.840 0.035 0.000 0.830 324 L CB 0.332 42.403 42.059 0.021 0.000 1.200 324 L HN 0.219 nan 8.230 nan 0.000 0.438 325 D N 3.734 124.172 120.400 0.062 0.000 2.162 325 D HA 0.121 4.761 4.640 -0.001 0.000 0.203 325 D C 0.294 176.624 176.300 0.051 0.000 0.967 325 D CA 0.984 55.029 54.000 0.075 0.000 0.840 325 D CB 0.490 41.368 40.800 0.129 0.000 0.972 325 D HN 0.547 nan 8.370 nan 0.000 0.482 326 A N 0.172 123.014 122.820 0.037 0.000 2.549 326 A HA 0.635 4.955 4.320 -0.001 0.000 0.297 326 A C -1.274 176.322 177.584 0.020 0.000 1.061 326 A CA -0.602 51.450 52.037 0.026 0.000 0.690 326 A CB 2.112 21.123 19.000 0.019 0.000 1.287 326 A HN 0.059 nan 8.150 nan 0.000 0.402 327 M N 3.269 122.884 119.600 0.025 0.000 2.093 327 M HA 0.563 5.042 4.480 -0.001 0.000 0.297 327 M C -1.967 174.347 176.300 0.023 0.000 0.938 327 M CA -0.441 54.881 55.300 0.037 0.000 0.920 327 M CB 0.446 33.086 32.600 0.066 0.000 1.517 327 M HN 0.598 nan 8.290 nan 0.000 0.427 328 I N 6.450 127.021 120.570 0.002 0.000 2.312 328 I HA 0.356 4.526 4.170 -0.001 0.000 0.290 328 I C -0.894 175.188 176.117 -0.059 0.000 1.008 328 I CA -0.566 60.711 61.300 -0.038 0.000 1.226 328 I CB 1.022 38.981 38.000 -0.068 0.000 1.371 328 I HN 0.637 nan 8.210 nan 0.000 0.468 329 L N 5.872 127.049 121.223 -0.076 0.000 2.334 329 L HA 0.454 4.794 4.340 -0.001 0.000 0.276 329 L C 0.128 176.909 176.870 -0.147 0.000 1.014 329 L CA -0.573 54.201 54.840 -0.110 0.000 0.815 329 L CB 1.640 43.649 42.059 -0.084 0.000 1.268 329 L HN 0.599 nan 8.230 nan 0.000 0.428 330 D N 0.575 120.846 120.400 -0.216 0.000 3.094 330 D HA 0.127 4.766 4.640 -0.001 0.000 0.267 330 D C -0.521 175.669 176.300 -0.182 0.000 1.542 330 D CA 0.559 54.376 54.000 -0.307 0.000 1.157 330 D CB 0.102 40.551 40.800 -0.585 0.000 1.098 330 D HN 0.343 nan 8.370 nan 0.000 0.340 331 Y N -2.575 117.745 120.300 0.034 0.000 2.624 331 Y HA 0.593 5.143 4.550 -0.000 0.000 0.334 331 Y C -1.229 174.712 175.900 0.069 0.000 1.155 331 Y CA -1.723 56.395 58.100 0.031 0.000 1.046 331 Y CB 0.481 38.956 38.460 0.025 0.000 1.316 331 Y HN 0.165 nan 8.280 nan 0.000 0.457 332 Q N 0.099 120.042 119.800 0.238 0.000 3.149 332 Q HA -0.065 4.275 4.340 -0.001 0.000 0.055 332 Q C -0.294 175.799 176.000 0.155 0.000 1.662 332 Q CA 0.586 56.434 55.803 0.075 0.000 0.281 332 Q CB -1.147 27.396 28.738 -0.326 0.000 0.584 332 Q HN 1.449 nan 8.270 nan 0.000 0.322 333 C N 0.265 119.653 119.300 0.146 0.000 4.497 333 C HA -0.213 4.247 4.460 -0.001 0.000 0.268 333 C C 0.654 175.742 174.990 0.164 0.000 1.343 333 C CA 0.656 59.802 59.018 0.213 0.000 1.742 333 C CB -2.175 25.747 27.740 0.303 0.000 1.450 333 C HN 0.581 nan 8.230 nan 0.000 0.733 334 I N 1.452 122.035 120.570 0.022 0.000 2.301 334 I HA 0.183 4.353 4.170 -0.001 0.000 0.292 334 I C 0.800 176.944 176.117 0.044 0.000 1.046 334 I CA 0.565 61.819 61.300 -0.077 0.000 1.282 334 I CB 0.521 38.364 38.000 -0.262 0.000 1.409 334 I HN 0.272 nan 8.210 nan 0.000 0.484 335 Q N 8.722 128.582 119.800 0.100 0.000 2.244 335 Q HA 0.037 4.376 4.340 -0.001 0.000 0.278 335 Q C -1.263 174.767 176.000 0.050 0.000 1.093 335 Q CA -1.231 54.610 55.803 0.063 0.000 0.916 335 Q CB 0.587 29.359 28.738 0.056 0.000 1.159 335 Q HN 0.441 nan 8.270 nan 0.000 0.384 336 P HA -0.183 nan 4.420 nan 0.000 0.225 336 P C 1.071 178.392 177.300 0.034 0.000 1.148 336 P CA 1.079 64.197 63.100 0.031 0.000 0.779 336 P CB 0.185 31.899 31.700 0.023 0.000 0.780 337 S N 0.584 116.305 115.700 0.035 0.000 2.423 337 S HA -0.198 4.272 4.470 -0.001 0.000 0.238 337 S C 2.026 176.654 174.600 0.045 0.000 1.028 337 S CA 1.755 59.978 58.200 0.038 0.000 1.000 337 S CB -2.068 61.155 63.200 0.037 0.000 0.797 337 S HN 0.190 nan 8.310 nan 0.000 0.487 338 V N 0.462 120.409 119.914 0.055 0.000 2.392 338 V HA -0.052 4.068 4.120 -0.001 0.000 0.249 338 V C 2.715 178.839 176.094 0.050 0.000 1.059 338 V CA 1.574 63.910 62.300 0.061 0.000 1.051 338 V CB -1.875 29.999 31.823 0.085 0.000 0.658 338 V HN 0.583 nan 8.190 nan 0.000 0.455 339 A N 1.526 124.372 122.820 0.043 0.000 1.933 339 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 339 A C 2.516 180.121 177.584 0.034 0.000 1.175 339 A CA 2.795 54.855 52.037 0.038 0.000 0.628 339 A CB -1.158 17.863 19.000 0.034 0.000 0.814 339 A HN 0.837 nan 8.150 nan 0.000 0.444 340 T N -2.249 112.325 114.554 0.034 0.000 2.937 340 T HA 0.091 4.440 4.350 -0.001 0.000 0.260 340 T C 1.824 176.544 174.700 0.033 0.000 1.051 340 T CA 1.036 63.155 62.100 0.031 0.000 1.141 340 T CB -0.491 68.395 68.868 0.030 0.000 0.879 340 T HN 0.302 nan 8.240 nan 0.000 0.459 341 I N 2.125 122.718 120.570 0.038 0.000 2.361 341 I HA -0.094 4.075 4.170 -0.001 0.000 0.251 341 I C 3.181 179.320 176.117 0.036 0.000 1.133 341 I CA 1.026 62.350 61.300 0.040 0.000 1.413 341 I CB -0.588 37.441 38.000 0.049 0.000 1.073 341 I HN 0.340 nan 8.210 nan 0.000 0.424 342 A N 0.698 123.539 122.820 0.036 0.000 1.948 342 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 342 A C 2.167 179.767 177.584 0.027 0.000 1.177 342 A CA 1.913 53.969 52.037 0.033 0.000 0.636 342 A CB -0.595 18.425 19.000 0.035 0.000 0.815 342 A HN 0.483 nan 8.150 nan 0.000 0.449 343 E N -1.034 119.182 120.200 0.026 0.000 2.153 343 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 343 E C 1.958 178.570 176.600 0.019 0.000 0.988 343 E CA 1.337 57.750 56.400 0.021 0.000 0.811 343 E CB -0.324 29.389 29.700 0.021 0.000 0.746 343 E HN 0.748 nan 8.360 nan 0.000 0.466 344 C N -0.074 119.239 119.300 0.021 0.000 2.492 344 C HA -0.014 4.446 4.460 -0.001 0.000 0.279 344 C C 2.886 177.887 174.990 0.017 0.000 1.335 344 C CA 1.111 60.141 59.018 0.019 0.000 1.734 344 C CB -0.805 26.949 27.740 0.024 0.000 2.027 344 C HN 0.582 nan 8.230 nan 0.000 0.496 345 T N -2.742 111.824 114.554 0.020 0.000 3.065 345 T HA 0.360 4.710 4.350 -0.001 0.000 0.252 345 T C 1.590 176.298 174.700 0.014 0.000 1.099 345 T CA 1.375 63.486 62.100 0.018 0.000 1.063 345 T CB 0.030 68.913 68.868 0.024 0.000 0.948 345 T HN 0.868 nan 8.240 nan 0.000 0.506 346 G N 1.094 109.903 108.800 0.014 0.000 2.199 346 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.254 346 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.254 346 G C 0.242 175.154 174.900 0.019 0.000 0.982 346 G CA 0.148 45.255 45.100 0.012 0.000 0.632 346 G HN 0.734 nan 8.290 nan 0.000 0.529 347 T N 2.232 116.801 114.554 0.024 0.000 2.916 347 T HA 0.441 4.790 4.350 -0.001 0.000 0.303 347 T C 0.576 175.294 174.700 0.031 0.000 1.025 347 T CA 0.968 63.086 62.100 0.030 0.000 1.142 347 T CB 1.119 70.007 68.868 0.033 0.000 0.947 347 T HN 0.236 nan 8.240 nan 0.000 0.544 348 T N 3.894 118.468 114.554 0.032 0.000 2.747 348 T HA 0.334 4.683 4.350 -0.001 0.000 0.301 348 T C 0.243 174.961 174.700 0.031 0.000 0.952 348 T CA -0.531 61.587 62.100 0.031 0.000 0.983 348 T CB 0.245 69.131 68.868 0.030 0.000 0.930 348 T HN 0.327 nan 8.240 nan 0.000 0.494 349 V N 6.049 125.983 119.914 0.033 0.000 2.432 349 V HA 0.428 4.548 4.120 -0.001 0.000 0.275 349 V C 0.142 176.254 176.094 0.031 0.000 1.043 349 V CA -0.549 61.772 62.300 0.035 0.000 0.925 349 V CB 0.708 32.556 31.823 0.042 0.000 0.985 349 V HN 0.771 nan 8.190 nan 0.000 0.466 350 I N 4.686 125.267 120.570 0.019 0.000 2.439 350 I HA 0.368 4.538 4.170 -0.001 0.000 0.285 350 I C 0.414 176.529 176.117 -0.005 0.000 1.021 350 I CA -0.346 60.958 61.300 0.007 0.000 1.091 350 I CB 2.245 40.239 38.000 -0.011 0.000 1.242 350 I HN 0.682 nan 8.210 nan 0.000 0.439 351 T N 0.282 114.853 114.554 0.028 0.000 2.922 351 T HA 0.424 4.774 4.350 -0.001 0.000 0.285 351 T C 0.728 175.358 174.700 -0.117 0.000 1.005 351 T CA -0.095 62.039 62.100 0.056 0.000 1.061 351 T CB 1.706 70.720 68.868 0.243 0.000 1.007 351 T HN 0.753 nan 8.240 nan 0.000 0.502 352 T N -2.135 112.372 114.554 -0.080 0.000 3.009 352 T HA 0.319 4.669 4.350 -0.001 0.000 0.267 352 T C 0.346 175.081 174.700 0.058 0.000 0.942 352 T CA -0.517 61.497 62.100 -0.145 0.000 0.883 352 T CB 0.243 69.061 68.868 -0.083 0.000 1.192 352 T HN 0.453 nan 8.240 nan 0.000 0.524 353 M N 1.901 121.631 119.600 0.217 0.000 2.364 353 M HA 0.544 5.024 4.480 -0.001 0.000 0.334 353 M C 1.007 177.478 176.300 0.285 0.000 1.107 353 M CA -0.622 54.824 55.300 0.244 0.000 0.988 353 M CB 1.751 34.502 32.600 0.252 0.000 1.673 353 M HN -0.003 nan 8.290 nan 0.000 0.441 354 E N 3.170 123.479 120.200 0.181 0.000 2.118 354 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 354 E C 1.216 177.825 176.600 0.014 0.000 0.992 354 E CA 1.932 58.377 56.400 0.074 0.000 0.804 354 E CB 0.044 29.767 29.700 0.037 0.000 0.741 354 E HN 0.637 nan 8.360 nan 0.000 0.458 355 M N -1.419 118.202 119.600 0.034 0.000 2.505 355 M HA 0.306 4.785 4.480 -0.001 0.000 0.230 355 M C 0.187 176.507 176.300 0.033 0.000 1.153 355 M CA 0.057 55.358 55.300 0.003 0.000 0.997 355 M CB 0.535 33.114 32.600 -0.035 0.000 1.606 355 M HN -0.092 nan 8.290 nan 0.000 0.481 356 S N 0.870 116.620 115.700 0.082 0.000 2.312 356 S HA 0.478 4.947 4.470 -0.001 0.000 0.173 356 S C -0.827 173.828 174.600 0.092 0.000 1.488 356 S CA -0.744 57.516 58.200 0.099 0.000 1.239 356 S CB 0.245 63.553 63.200 0.181 0.000 1.215 356 S HN 0.424 nan 8.310 nan 0.000 0.438 357 K N 2.317 122.737 120.400 0.034 0.000 2.166 357 K HA 0.676 4.996 4.320 -0.001 0.000 0.245 357 K C -0.841 175.774 176.600 0.025 0.000 0.967 357 K CA -0.853 55.448 56.287 0.023 0.000 0.863 357 K CB 1.734 34.185 32.500 -0.082 0.000 1.107 357 K HN 0.433 nan 8.250 nan 0.000 0.436 358 I N 1.346 121.938 120.570 0.036 0.000 2.478 358 I HA 0.129 4.299 4.170 -0.001 0.000 0.287 358 I C -0.302 175.830 176.117 0.025 0.000 1.042 358 I CA -0.849 60.468 61.300 0.028 0.000 1.067 358 I CB 2.123 40.143 38.000 0.034 0.000 1.233 358 I HN 0.507 nan 8.210 nan 0.000 0.431 359 T N 4.613 119.176 114.554 0.015 0.000 2.866 359 T HA 0.223 4.573 4.350 -0.001 0.000 0.293 359 T C 1.161 175.874 174.700 0.022 0.000 1.005 359 T CA 1.297 63.406 62.100 0.014 0.000 1.162 359 T CB 0.581 69.454 68.868 0.009 0.000 0.968 359 T HN 1.143 nan 8.240 nan 0.000 0.530 360 G N 1.789 110.603 108.800 0.024 0.000 2.213 360 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.236 360 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.236 360 G C 0.244 175.165 174.900 0.035 0.000 0.991 360 G CA -0.080 45.037 45.100 0.028 0.000 0.629 360 G HN 1.147 nan 8.290 nan 0.000 0.517 361 A N 0.103 122.949 122.820 0.043 0.000 2.279 361 A HA 0.777 5.096 4.320 -0.001 0.000 0.303 361 A C 0.564 178.188 177.584 0.067 0.000 1.108 361 A CA 0.760 52.829 52.037 0.053 0.000 0.830 361 A CB 0.610 19.645 19.000 0.059 0.000 1.106 361 A HN 0.683 nan 8.150 nan 0.000 0.493 362 T N 1.299 115.891 114.554 0.063 0.000 2.832 362 T HA 0.350 4.699 4.350 -0.001 0.000 0.296 362 T C -0.417 174.344 174.700 0.103 0.000 0.968 362 T CA 0.522 62.665 62.100 0.072 0.000 1.107 362 T CB 0.040 68.936 68.868 0.045 0.000 0.916 362 T HN 0.644 nan 8.240 nan 0.000 0.517 363 H N 2.240 121.325 119.070 0.025 0.000 2.504 363 H HA 0.549 5.105 4.556 -0.000 0.000 0.322 363 H C -1.085 174.266 175.328 0.038 0.000 1.055 363 H CA -0.492 55.575 56.048 0.031 0.000 1.231 363 H CB 0.568 30.347 29.762 0.028 0.000 1.417 363 H HN 0.321 nan 8.280 nan 0.000 0.472 364 V N 5.863 125.571 119.914 -0.343 0.000 2.325 364 V HA 0.108 4.227 4.120 -0.001 0.000 0.280 364 V C 0.120 176.031 176.094 -0.305 0.000 1.016 364 V CA -1.118 61.062 62.300 -0.201 0.000 0.818 364 V CB 0.631 32.413 31.823 -0.068 0.000 1.019 364 V HN 0.867 nan 8.190 nan 0.000 0.434 365 N N 3.334 121.908 118.700 -0.211 0.000 2.412 365 N HA 0.042 4.781 4.740 -0.001 0.000 0.258 365 N C -0.934 174.606 175.510 0.051 0.000 1.236 365 N CA 0.336 53.349 53.050 -0.062 0.000 0.882 365 N CB 0.317 38.850 38.487 0.078 0.000 1.066 365 N HN 0.550 nan 8.380 nan 0.000 0.465 366 F N 3.440 123.363 119.950 -0.046 0.000 2.375 366 F HA 0.605 5.132 4.527 -0.001 0.000 0.361 366 F C -0.407 175.425 175.800 0.054 0.000 1.117 366 F CA -0.798 57.205 58.000 0.006 0.000 1.037 366 F CB 0.652 39.657 39.000 0.008 0.000 1.192 366 F HN 0.546 nan 8.300 nan 0.000 0.452 367 A N 4.846 127.495 122.820 -0.286 0.000 2.276 367 A HA 0.455 4.774 4.320 -0.001 0.000 0.316 367 A C 0.787 178.168 177.584 -0.338 0.000 1.229 367 A CA -0.542 51.385 52.037 -0.182 0.000 0.851 367 A CB 0.691 19.627 19.000 -0.108 0.000 1.165 367 A HN 0.829 nan 8.150 nan 0.000 0.513 368 E N 1.522 121.670 120.200 -0.086 0.000 2.160 368 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 368 E C 1.193 177.844 176.600 0.086 0.000 0.991 368 E CA 2.023 58.461 56.400 0.062 0.000 0.810 368 E CB -0.093 29.613 29.700 0.010 0.000 0.742 368 E HN 0.840 nan 8.360 nan 0.000 0.466 369 E N -0.262 119.939 120.200 0.002 0.000 2.265 369 E HA -0.041 4.309 4.350 -0.001 0.000 0.196 369 E C 0.726 177.306 176.600 -0.034 0.000 0.996 369 E CA 1.223 57.627 56.400 0.006 0.000 0.832 369 E CB 0.113 29.808 29.700 -0.008 0.000 0.756 369 E HN 0.243 nan 8.360 nan 0.000 0.491 370 A N -0.353 122.398 122.820 -0.114 0.000 2.643 370 A HA 0.657 4.976 4.320 -0.001 0.000 0.295 370 A C 1.462 178.899 177.584 -0.246 0.000 1.065 370 A CA 0.289 52.242 52.037 -0.140 0.000 0.986 370 A CB 0.028 18.955 19.000 -0.122 0.000 1.212 370 A HN 0.164 nan 8.150 nan 0.000 0.516 371 A N -0.316 122.337 122.820 -0.278 0.000 1.883 371 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 371 A C 1.995 179.488 177.584 -0.152 0.000 1.186 371 A CA 2.228 54.002 52.037 -0.439 0.000 0.624 371 A CB -0.665 18.284 19.000 -0.086 0.000 0.822 371 A HN 0.573 nan 8.150 nan 0.000 0.444 372 V N 0.170 120.030 119.914 -0.089 0.000 2.295 372 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 372 V C 2.587 178.663 176.094 -0.030 0.000 1.049 372 V CA 2.400 64.676 62.300 -0.040 0.000 1.024 372 V CB -0.749 31.043 31.823 -0.052 0.000 0.648 372 V HN 0.849 nan 8.190 nan 0.000 0.447 373 E N 0.541 120.709 120.200 -0.052 0.000 2.058 373 E HA -0.283 4.066 4.350 -0.001 0.000 0.194 373 E C 2.008 178.592 176.600 -0.027 0.000 0.997 373 E CA 1.912 58.288 56.400 -0.039 0.000 0.801 373 E CB -0.181 29.491 29.700 -0.048 0.000 0.746 373 E HN 0.607 nan 8.360 nan 0.000 0.450 374 N N 0.710 119.376 118.700 -0.056 0.000 2.166 374 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 374 N C 1.709 177.282 175.510 0.105 0.000 1.019 374 N CA 1.386 54.434 53.050 -0.003 0.000 0.856 374 N CB -0.622 37.810 38.487 -0.091 0.000 0.993 374 N HN 0.327 nan 8.380 nan 0.000 0.426 375 A N 1.600 124.511 122.820 0.151 0.000 1.908 375 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 375 A C 2.150 179.770 177.584 0.061 0.000 1.181 375 A CA 1.495 53.624 52.037 0.155 0.000 0.627 375 A CB -0.416 18.677 19.000 0.154 0.000 0.818 375 A HN 0.262 nan 8.150 nan 0.000 0.445 376 K N -0.783 119.636 120.400 0.032 0.000 2.057 376 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 376 K C 2.418 179.026 176.600 0.013 0.000 1.049 376 K CA 1.601 57.895 56.287 0.011 0.000 0.931 376 K CB -0.206 32.293 32.500 -0.001 0.000 0.714 376 K HN 0.716 nan 8.250 nan 0.000 0.440 377 Q N 1.250 121.061 119.800 0.017 0.000 2.077 377 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 377 Q C 2.038 178.050 176.000 0.019 0.000 0.989 377 Q CA 1.697 57.509 55.803 0.016 0.000 0.853 377 Q CB -0.137 28.610 28.738 0.015 0.000 0.907 377 Q HN 0.302 nan 8.270 nan 0.000 0.418 378 I N 0.417 121.005 120.570 0.029 0.000 2.179 378 I HA -0.313 3.857 4.170 -0.001 0.000 0.242 378 I C 2.234 178.359 176.117 0.013 0.000 1.088 378 I CA 1.066 62.380 61.300 0.022 0.000 1.357 378 I CB -0.197 37.822 38.000 0.032 0.000 1.051 378 I HN 0.281 nan 8.210 nan 0.000 0.409 379 L N -0.065 121.164 121.223 0.010 0.000 2.201 379 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 379 L C 2.643 179.515 176.870 0.003 0.000 1.105 379 L CA 1.063 55.903 54.840 -0.001 0.000 0.775 379 L CB -0.468 41.584 42.059 -0.011 0.000 0.913 379 L HN 0.136 nan 8.230 nan 0.000 0.440 380 R N -0.151 120.354 120.500 0.007 0.000 2.092 380 R HA -0.083 4.257 4.340 -0.001 0.000 0.231 380 R C 2.277 178.590 176.300 0.022 0.000 1.119 380 R CA 1.005 57.112 56.100 0.012 0.000 0.970 380 R CB -0.269 30.037 30.300 0.010 0.000 0.864 380 R HN 0.295 nan 8.270 nan 0.000 0.440 381 L N 0.064 121.300 121.223 0.021 0.000 2.042 381 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 381 L C 2.638 179.530 176.870 0.036 0.000 1.076 381 L CA 1.352 56.208 54.840 0.027 0.000 0.749 381 L CB -0.622 41.451 42.059 0.022 0.000 0.893 381 L HN 0.273 nan 8.230 nan 0.000 0.432 382 A N 0.339 123.178 122.820 0.032 0.000 1.877 382 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 382 A C 2.195 179.824 177.584 0.075 0.000 1.186 382 A CA 1.592 53.656 52.037 0.044 0.000 0.620 382 A CB -0.647 18.366 19.000 0.022 0.000 0.822 382 A HN 0.352 nan 8.150 nan 0.000 0.443 383 I N -0.030 120.573 120.570 0.055 0.000 2.179 383 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 383 I C 1.858 178.057 176.117 0.137 0.000 1.088 383 I CA 1.461 62.809 61.300 0.079 0.000 1.357 383 I CB -0.516 37.499 38.000 0.025 0.000 1.051 383 I HN 0.249 nan 8.210 nan 0.000 0.409 384 D N 0.521 120.973 120.400 0.086 0.000 2.133 384 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 384 D C 2.207 178.553 176.300 0.078 0.000 0.997 384 D CA 1.766 55.810 54.000 0.074 0.000 0.840 384 D CB -0.453 40.374 40.800 0.046 0.000 0.947 384 D HN 0.313 nan 8.370 nan 0.000 0.452 385 T N 0.478 115.082 114.554 0.083 0.000 2.777 385 T HA -0.124 4.226 4.350 -0.001 0.000 0.266 385 T C 1.711 176.458 174.700 0.078 0.000 1.040 385 T CA 0.548 62.687 62.100 0.066 0.000 1.141 385 T CB -0.481 68.425 68.868 0.062 0.000 0.868 385 T HN 0.147 nan 8.240 nan 0.000 0.444 386 F N 2.431 122.380 119.950 -0.001 0.000 2.091 386 F HA -0.159 4.368 4.527 -0.001 0.000 0.299 386 F C 2.141 177.940 175.800 -0.001 0.000 1.103 386 F CA 1.434 59.432 58.000 -0.002 0.000 1.228 386 F CB -0.208 38.790 39.000 -0.004 0.000 0.984 386 F HN -0.026 nan 8.300 nan 0.000 0.477 387 K N 0.013 120.441 120.400 0.048 0.000 2.057 387 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 387 K C 2.146 178.670 176.600 -0.126 0.000 1.049 387 K CA 1.558 57.815 56.287 -0.051 0.000 0.931 387 K CB -0.295 32.247 32.500 0.069 0.000 0.714 387 K HN 0.320 nan 8.250 nan 0.000 0.440 388 R N 0.881 121.336 120.500 -0.075 0.000 2.237 388 R HA -0.107 4.233 4.340 -0.001 0.000 0.219 388 R C 1.844 178.081 176.300 -0.105 0.000 1.080 388 R CA 1.049 57.108 56.100 -0.067 0.000 0.995 388 R CB -0.066 30.216 30.300 -0.030 0.000 0.875 388 R HN 0.279 nan 8.270 nan 0.000 0.462 389 R N 0.782 121.177 120.500 -0.176 0.000 2.427 389 R HA 0.146 4.485 4.340 -0.001 0.000 0.262 389 R C 0.066 176.215 176.300 -0.253 0.000 0.943 389 R CA -0.274 55.715 56.100 -0.184 0.000 1.081 389 R CB 0.089 30.293 30.300 -0.160 0.000 1.166 389 R HN -0.166 nan 8.270 nan 0.000 0.534 390 K N 1.236 121.463 120.400 -0.289 0.000 2.491 390 K HA -0.004 4.316 4.320 -0.001 0.000 0.279 390 K C 0.582 177.097 176.600 -0.142 0.000 1.026 390 K CA 1.513 57.651 56.287 -0.248 0.000 1.070 390 K CB 0.091 32.482 32.500 -0.182 0.000 0.887 390 K HN 0.494 nan 8.250 nan 0.000 0.481 391 G N 3.318 112.047 108.800 -0.117 0.000 2.199 391 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.254 391 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.254 391 G C -0.349 174.515 174.900 -0.061 0.000 0.982 391 G CA 0.203 45.261 45.100 -0.071 0.000 0.632 391 G HN 0.606 nan 8.290 nan 0.000 0.529 392 K N 2.006 122.360 120.400 -0.076 0.000 2.276 392 K HA 0.425 4.745 4.320 -0.001 0.000 0.283 392 K C -2.002 174.571 176.600 -0.045 0.000 1.044 392 K CA -1.199 55.054 56.287 -0.056 0.000 0.944 392 K CB 1.201 33.665 32.500 -0.060 0.000 1.012 392 K HN 0.197 nan 8.250 nan 0.000 0.472 393 P HA 0.039 nan 4.420 nan 0.000 0.271 393 P C -0.505 176.785 177.300 -0.016 0.000 1.218 393 P CA -0.400 62.688 63.100 -0.020 0.000 0.780 393 P CB 0.872 32.565 31.700 -0.013 0.000 0.901 394 V N -1.017 118.891 119.914 -0.010 0.000 2.960 394 V HA 0.581 4.701 4.120 -0.001 0.000 0.315 394 V C -0.342 175.752 176.094 0.001 0.000 1.087 394 V CA -0.908 61.390 62.300 -0.003 0.000 0.982 394 V CB 2.131 33.955 31.823 0.003 0.000 1.039 394 V HN 0.616 nan 8.190 nan 0.000 0.437 395 E N 2.314 122.517 120.200 0.004 0.000 2.489 395 E HA 0.487 4.837 4.350 -0.001 0.000 0.232 395 E C -1.285 175.319 176.600 0.005 0.000 0.990 395 E CA -0.547 55.856 56.400 0.004 0.000 0.768 395 E CB 1.072 30.773 29.700 0.003 0.000 1.270 395 E HN 0.794 nan 8.360 nan 0.000 0.423 396 I N 5.505 126.079 120.570 0.006 0.000 2.301 396 I HA 0.251 4.421 4.170 -0.001 0.000 0.292 396 I C -2.044 174.075 176.117 0.002 0.000 1.046 396 I CA -2.177 59.126 61.300 0.006 0.000 1.282 396 I CB 0.939 38.944 38.000 0.009 0.000 1.409 396 I HN 0.309 nan 8.210 nan 0.000 0.484 397 P HA -0.048 nan 4.420 nan 0.000 0.262 397 P C -0.301 176.997 177.300 -0.004 0.000 1.182 397 P CA -0.000 63.098 63.100 -0.004 0.000 0.761 397 P CB 0.350 32.046 31.700 -0.006 0.000 0.795 398 N N 3.513 122.210 118.700 -0.004 0.000 3.303 398 N HA 0.167 4.907 4.740 -0.001 0.000 0.304 398 N C -0.996 174.510 175.510 -0.007 0.000 1.302 398 N CA 0.088 53.135 53.050 -0.004 0.000 1.213 398 N CB -0.919 37.567 38.487 -0.002 0.000 1.481 398 N HN 0.294 nan 8.380 nan 0.000 0.546 399 I N 1.844 122.409 120.570 -0.009 0.000 2.500 399 I HA 0.313 4.482 4.170 -0.001 0.000 0.286 399 I C -0.668 175.439 176.117 -0.016 0.000 1.063 399 I CA -0.750 60.541 61.300 -0.015 0.000 1.062 399 I CB 1.461 39.449 38.000 -0.021 0.000 1.223 399 I HN 0.193 nan 8.210 nan 0.000 0.435 400 K N 3.176 123.568 120.400 -0.014 0.000 2.579 400 K HA 0.769 5.089 4.320 -0.001 0.000 0.284 400 K C -1.163 175.432 176.600 -0.007 0.000 0.990 400 K CA -0.810 55.471 56.287 -0.010 0.000 0.880 400 K CB 2.302 34.800 32.500 -0.003 0.000 1.488 400 K HN 0.444 nan 8.250 nan 0.000 0.425 401 T N -1.820 112.735 114.554 0.002 0.000 2.924 401 T HA 0.396 4.745 4.350 -0.001 0.000 0.291 401 T C -0.689 174.025 174.700 0.023 0.000 1.045 401 T CA -1.017 61.089 62.100 0.010 0.000 1.015 401 T CB 1.733 70.610 68.868 0.014 0.000 1.103 401 T HN 0.665 nan 8.240 nan 0.000 0.496 402 K N 1.244 121.659 120.400 0.025 0.000 2.249 402 K HA 0.532 4.852 4.320 -0.001 0.000 0.280 402 K C -1.318 175.315 176.600 0.055 0.000 1.033 402 K CA -0.648 55.660 56.287 0.034 0.000 0.946 402 K CB 0.533 33.050 32.500 0.028 0.000 1.005 402 K HN 0.500 nan 8.250 nan 0.000 0.469 403 V N 5.079 125.033 119.914 0.066 0.000 2.443 403 V HA 0.240 4.360 4.120 -0.001 0.000 0.293 403 V C -0.721 175.433 176.094 0.100 0.000 1.021 403 V CA -1.006 61.353 62.300 0.098 0.000 0.848 403 V CB 1.709 33.600 31.823 0.113 0.000 0.998 403 V HN 0.550 nan 8.190 nan 0.000 0.424 404 V N 4.560 124.555 119.914 0.136 0.000 2.394 404 V HA 0.908 5.027 4.120 -0.001 0.000 0.282 404 V C 0.485 176.722 176.094 0.238 0.000 1.031 404 V CA 0.274 62.666 62.300 0.153 0.000 0.881 404 V CB 1.096 33.035 31.823 0.193 0.000 0.982 404 V HN 1.084 nan 8.190 nan 0.000 0.451 405 A N 3.241 126.121 122.820 0.100 0.000 2.701 405 A HA 0.904 5.224 4.320 -0.001 0.000 0.290 405 A C 0.832 178.251 177.584 -0.275 0.000 1.267 405 A CA -0.151 51.932 52.037 0.077 0.000 0.709 405 A CB 0.717 19.716 19.000 -0.002 0.000 1.352 405 A HN 1.971 nan 8.150 nan 0.000 0.519 406 G N -1.954 106.676 108.800 -0.284 0.000 2.137 406 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.237 406 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.237 406 G C -0.190 174.471 174.900 -0.399 0.000 1.002 406 G CA 0.366 45.257 45.100 -0.348 0.000 0.702 406 G HN 0.859 nan 8.290 nan 0.000 0.515 407 F N 3.115 123.052 119.950 -0.022 0.000 2.640 407 F HA 0.415 4.942 4.527 -0.001 0.000 0.354 407 F C 1.621 177.424 175.800 0.006 0.000 1.213 407 F CA -0.008 57.998 58.000 0.009 0.000 1.314 407 F CB -0.001 39.025 39.000 0.042 0.000 1.679 407 F HN 0.315 nan 8.300 nan 0.000 0.622 408 S N -1.029 114.711 115.700 0.065 0.000 2.572 408 S HA -0.034 4.436 4.470 -0.001 0.000 0.267 408 S C 1.475 176.125 174.600 0.082 0.000 1.361 408 S CA -0.261 57.969 58.200 0.050 0.000 1.009 408 S CB 0.851 64.053 63.200 0.003 0.000 0.888 408 S HN 0.454 nan 8.310 nan 0.000 0.553 409 T N 1.618 116.204 114.554 0.052 0.000 2.788 409 T HA -0.076 4.273 4.350 -0.001 0.000 0.268 409 T C 1.570 176.303 174.700 0.056 0.000 1.044 409 T CA 1.907 64.041 62.100 0.055 0.000 1.139 409 T CB -0.516 68.371 68.868 0.031 0.000 0.867 409 T HN 0.746 nan 8.240 nan 0.000 0.454 410 E N 1.448 121.673 120.200 0.042 0.000 2.077 410 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 410 E C 2.404 179.031 176.600 0.045 0.000 0.989 410 E CA 1.127 57.549 56.400 0.037 0.000 0.800 410 E CB -0.478 29.237 29.700 0.025 0.000 0.746 410 E HN 0.483 nan 8.360 nan 0.000 0.452 411 A N 0.636 123.485 122.820 0.048 0.000 1.902 411 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 411 A C 2.251 179.918 177.584 0.138 0.000 1.181 411 A CA 1.262 53.333 52.037 0.056 0.000 0.623 411 A CB -0.662 18.335 19.000 -0.006 0.000 0.818 411 A HN 0.194 nan 8.150 nan 0.000 0.443 412 I N -0.409 120.267 120.570 0.176 0.000 2.179 412 I HA -0.255 3.915 4.170 -0.001 0.000 0.242 412 I C 2.321 178.498 176.117 0.100 0.000 1.088 412 I CA 1.331 62.733 61.300 0.170 0.000 1.357 412 I CB -0.338 37.740 38.000 0.130 0.000 1.051 412 I HN 0.301 nan 8.210 nan 0.000 0.409 413 I N 0.849 121.463 120.570 0.074 0.000 2.163 413 I HA -0.338 3.832 4.170 -0.001 0.000 0.243 413 I C 2.353 178.500 176.117 0.050 0.000 1.085 413 I CA 1.765 63.096 61.300 0.052 0.000 1.347 413 I CB -0.536 37.489 38.000 0.043 0.000 1.044 413 I HN 0.333 nan 8.210 nan 0.000 0.408 414 N N 1.122 119.853 118.700 0.053 0.000 2.120 414 N HA -0.180 4.559 4.740 -0.001 0.000 0.188 414 N C 1.811 177.354 175.510 0.054 0.000 1.024 414 N CA 1.728 54.804 53.050 0.045 0.000 0.852 414 N CB -0.103 38.406 38.487 0.036 0.000 1.003 414 N HN 0.330 nan 8.380 nan 0.000 0.424 415 A N 0.484 123.353 122.820 0.081 0.000 1.877 415 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 415 A C 2.295 179.917 177.584 0.064 0.000 1.186 415 A CA 1.205 53.297 52.037 0.092 0.000 0.620 415 A CB -0.900 18.192 19.000 0.153 0.000 0.822 415 A HN 0.383 nan 8.150 nan 0.000 0.443 416 L N 0.516 121.773 121.223 0.056 0.000 2.141 416 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 416 L C 2.908 179.797 176.870 0.032 0.000 1.094 416 L CA 1.387 56.250 54.840 0.039 0.000 0.763 416 L CB -0.402 41.678 42.059 0.035 0.000 0.908 416 L HN 0.623 nan 8.230 nan 0.000 0.437 417 S N -0.771 114.949 115.700 0.033 0.000 2.447 417 S HA -0.124 4.346 4.470 -0.001 0.000 0.233 417 S C 1.851 176.465 174.600 0.024 0.000 1.006 417 S CA 0.529 58.745 58.200 0.026 0.000 0.957 417 S CB -0.188 63.027 63.200 0.025 0.000 0.773 417 S HN 0.270 nan 8.310 nan 0.000 0.507 418 K N 1.281 121.697 120.400 0.028 0.000 2.362 418 K HA 0.207 4.527 4.320 -0.001 0.000 0.200 418 K C 1.716 178.329 176.600 0.022 0.000 1.046 418 K CA 0.575 56.877 56.287 0.025 0.000 0.952 418 K CB -0.547 31.970 32.500 0.029 0.000 0.753 418 K HN 0.481 nan 8.250 nan 0.000 0.466 419 L N -0.877 120.359 121.223 0.022 0.000 2.408 419 L HA 0.102 4.441 4.340 -0.001 0.000 0.215 419 L C 0.304 177.183 176.870 0.016 0.000 1.081 419 L CA 0.129 54.980 54.840 0.018 0.000 0.840 419 L CB 0.125 42.195 42.059 0.019 0.000 1.002 419 L HN 0.130 nan 8.230 nan 0.000 0.468 420 N N -0.794 117.916 118.700 0.017 0.000 2.747 420 N HA 0.276 5.016 4.740 -0.001 0.000 0.262 420 N C 0.441 175.960 175.510 0.015 0.000 1.261 420 N CA 0.178 53.237 53.050 0.014 0.000 0.809 420 N CB 1.252 39.747 38.487 0.014 0.000 1.450 420 N HN 0.003 nan 8.380 nan 0.000 0.560 421 A N 2.702 125.530 122.820 0.013 0.000 1.902 421 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 421 A C 1.417 179.009 177.584 0.012 0.000 1.181 421 A CA 1.248 53.292 52.037 0.013 0.000 0.623 421 A CB -0.124 18.883 19.000 0.011 0.000 0.818 421 A HN 0.719 nan 8.150 nan 0.000 0.443 422 N N -0.646 118.061 118.700 0.011 0.000 2.236 422 N HA 0.063 4.803 4.740 -0.001 0.000 0.196 422 N C -0.637 174.879 175.510 0.010 0.000 1.114 422 N CA 0.383 53.439 53.050 0.010 0.000 0.859 422 N CB 0.680 39.172 38.487 0.008 0.000 0.982 422 N HN 0.386 nan 8.380 nan 0.000 0.493 423 D N 0.049 120.456 120.400 0.012 0.000 2.968 423 D HA 0.180 4.819 4.640 -0.001 0.000 0.301 423 D C -1.920 174.388 176.300 0.015 0.000 1.226 423 D CA -1.568 52.439 54.000 0.012 0.000 0.746 423 D CB 1.072 41.878 40.800 0.011 0.000 1.278 423 D HN -0.070 nan 8.370 nan 0.000 0.544 424 P HA -0.086 nan 4.420 nan 0.000 0.218 424 P C 1.751 179.063 177.300 0.021 0.000 1.149 424 P CA 0.556 63.668 63.100 0.021 0.000 0.817 424 P CB 0.515 32.230 31.700 0.024 0.000 0.785 425 L N -0.404 120.831 121.223 0.019 0.000 2.291 425 L HA -0.055 4.285 4.340 -0.001 0.000 0.214 425 L C 2.772 179.651 176.870 0.016 0.000 1.120 425 L CA 1.091 55.942 54.840 0.018 0.000 0.799 425 L CB -0.792 41.277 42.059 0.018 0.000 0.925 425 L HN -0.007 nan 8.230 nan 0.000 0.446 426 K N 0.866 121.275 120.400 0.015 0.000 2.063 426 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 426 K C -0.543 176.066 176.600 0.014 0.000 1.048 426 K CA 1.384 57.679 56.287 0.014 0.000 0.928 426 K CB -0.695 31.812 32.500 0.012 0.000 0.713 426 K HN 0.151 nan 8.250 nan 0.000 0.442 427 P HA -0.174 nan 4.420 nan 0.000 0.216 427 P C 1.307 178.615 177.300 0.013 0.000 1.150 427 P CA 0.861 63.970 63.100 0.014 0.000 0.837 427 P CB -0.007 31.702 31.700 0.015 0.000 0.786 428 L N -0.555 120.676 121.223 0.014 0.000 2.017 428 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 428 L C 2.226 179.104 176.870 0.013 0.000 1.073 428 L CA 1.793 56.640 54.840 0.012 0.000 0.745 428 L CB -1.331 40.735 42.059 0.012 0.000 0.894 428 L HN -0.136 nan 8.230 nan 0.000 0.432 429 I N -0.403 120.175 120.570 0.014 0.000 2.226 429 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 429 I C 2.069 178.195 176.117 0.016 0.000 1.100 429 I CA 1.183 62.492 61.300 0.015 0.000 1.374 429 I CB -0.618 37.391 38.000 0.014 0.000 1.057 429 I HN 0.270 nan 8.210 nan 0.000 0.413 430 D N 1.016 121.425 120.400 0.015 0.000 2.116 430 D HA -0.193 4.447 4.640 -0.001 0.000 0.193 430 D C 1.866 178.176 176.300 0.016 0.000 0.998 430 D CA 1.313 55.322 54.000 0.015 0.000 0.836 430 D CB -0.472 40.336 40.800 0.013 0.000 0.951 430 D HN 0.366 nan 8.370 nan 0.000 0.449 431 N N 0.170 118.879 118.700 0.015 0.000 2.354 431 N HA -0.062 4.678 4.740 -0.001 0.000 0.179 431 N C 1.973 177.495 175.510 0.020 0.000 1.021 431 N CA 0.204 53.264 53.050 0.016 0.000 0.887 431 N CB 0.309 38.804 38.487 0.013 0.000 0.974 431 N HN 0.081 nan 8.380 nan 0.000 0.437 432 V N 0.959 120.886 119.914 0.020 0.000 2.307 432 V HA -0.156 3.964 4.120 -0.001 0.000 0.245 432 V C 2.475 178.588 176.094 0.032 0.000 1.045 432 V CA 1.159 63.474 62.300 0.026 0.000 1.024 432 V CB -0.439 31.397 31.823 0.022 0.000 0.651 432 V HN 0.026 nan 8.190 nan 0.000 0.449 433 V N 2.168 122.099 119.914 0.028 0.000 2.343 433 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 433 V C 2.199 178.312 176.094 0.031 0.000 1.051 433 V CA 2.256 64.575 62.300 0.031 0.000 1.036 433 V CB -0.966 30.872 31.823 0.025 0.000 0.654 433 V HN 0.908 nan 8.190 nan 0.000 0.451 434 N N 0.462 119.176 118.700 0.024 0.000 2.461 434 N HA 0.132 4.872 4.740 -0.001 0.000 0.188 434 N C 1.309 176.832 175.510 0.023 0.000 1.134 434 N CA 1.126 54.188 53.050 0.020 0.000 0.878 434 N CB 0.343 38.839 38.487 0.015 0.000 0.972 434 N HN 0.481 nan 8.380 nan 0.000 0.456 435 G N -0.075 108.743 108.800 0.031 0.000 2.175 435 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.244 435 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.244 435 G C 0.797 175.716 174.900 0.030 0.000 0.982 435 G CA 0.298 45.420 45.100 0.036 0.000 0.641 435 G HN 0.516 nan 8.290 nan 0.000 0.527 436 N N -0.420 118.294 118.700 0.024 0.000 2.223 436 N HA 0.043 4.783 4.740 -0.001 0.000 0.185 436 N C 0.364 175.888 175.510 0.023 0.000 1.016 436 N CA 0.869 53.931 53.050 0.020 0.000 0.863 436 N CB 0.082 38.578 38.487 0.016 0.000 0.983 436 N HN 0.344 nan 8.380 nan 0.000 0.429 437 I N 0.792 121.376 120.570 0.024 0.000 2.382 437 I HA 0.143 4.313 4.170 -0.001 0.000 0.286 437 I C 1.057 177.193 176.117 0.032 0.000 1.002 437 I CA -0.147 61.167 61.300 0.024 0.000 1.135 437 I CB 1.637 39.646 38.000 0.016 0.000 1.288 437 I HN 0.050 nan 8.210 nan 0.000 0.448 438 R N 4.376 124.898 120.500 0.037 0.000 2.073 438 R HA 0.136 4.476 4.340 -0.001 0.000 0.229 438 R C 0.795 177.116 176.300 0.035 0.000 1.120 438 R CA 1.253 57.383 56.100 0.050 0.000 0.967 438 R CB 0.430 30.764 30.300 0.057 0.000 0.862 438 R HN 0.867 nan 8.270 nan 0.000 0.436 439 G N -1.478 107.332 108.800 0.018 0.000 2.427 439 G HA2 0.355 4.315 3.960 -0.001 0.000 0.306 439 G HA3 0.355 4.315 3.960 -0.001 0.000 0.306 439 G C -1.892 173.002 174.900 -0.011 0.000 1.280 439 G CA -0.608 44.492 45.100 0.000 0.000 0.837 439 G HN -0.005 nan 8.290 nan 0.000 0.482 440 V N -0.503 119.394 119.914 -0.029 0.000 2.588 440 V HA 0.619 4.739 4.120 -0.001 0.000 0.304 440 V C -0.589 175.456 176.094 -0.082 0.000 1.042 440 V CA -0.731 61.544 62.300 -0.040 0.000 0.877 440 V CB 1.359 33.164 31.823 -0.030 0.000 0.996 440 V HN 1.027 nan 8.190 nan 0.000 0.425 441 C N 6.633 125.865 119.300 -0.113 0.000 2.340 441 C HA 0.744 5.204 4.460 -0.001 0.000 0.323 441 C C -0.522 174.312 174.990 -0.260 0.000 1.260 441 C CA -0.651 58.225 59.018 -0.236 0.000 1.464 441 C CB 0.528 28.058 27.740 -0.352 0.000 2.156 441 C HN 0.876 nan 8.230 nan 0.000 0.476 442 L N 6.792 127.866 121.223 -0.248 0.000 2.260 442 L HA 0.611 4.950 4.340 -0.001 0.000 0.289 442 L C -0.942 175.777 176.870 -0.252 0.000 1.057 442 L CA 0.276 55.017 54.840 -0.165 0.000 0.811 442 L CB 0.048 42.061 42.059 -0.076 0.000 1.184 442 L HN 0.600 nan 8.230 nan 0.000 0.429 443 F N 4.788 124.754 119.950 0.025 0.000 2.410 443 F HA 0.713 5.239 4.527 -0.001 0.000 0.348 443 F C 0.710 176.542 175.800 0.054 0.000 1.106 443 F CA 0.262 58.320 58.000 0.096 0.000 1.163 443 F CB 1.273 40.345 39.000 0.119 0.000 1.129 443 F HN 0.707 nan 8.300 nan 0.000 0.516 444 A N 1.922 124.930 122.820 0.314 0.000 2.566 444 A HA 0.893 5.213 4.320 -0.001 0.000 0.292 444 A C 0.004 177.740 177.584 0.254 0.000 1.112 444 A CA -0.210 51.928 52.037 0.169 0.000 0.707 444 A CB 1.102 20.134 19.000 0.053 0.000 1.302 444 A HN 1.544 nan 8.150 nan 0.000 0.409 445 G N -1.327 107.573 108.800 0.165 0.000 2.632 445 G HA2 0.067 4.026 3.960 -0.001 0.000 0.224 445 G HA3 0.067 4.026 3.960 -0.001 0.000 0.224 445 G C 0.272 175.318 174.900 0.243 0.000 1.341 445 G CA -0.348 44.866 45.100 0.190 0.000 0.880 445 G HN 1.906 nan 8.290 nan 0.000 0.566 446 C N 0.317 119.759 119.300 0.237 0.000 2.411 446 C HA 0.713 5.173 4.460 -0.001 0.000 0.358 446 C C 0.834 176.001 174.990 0.296 0.000 1.349 446 C CA -0.984 58.161 59.018 0.213 0.000 2.326 446 C CB 0.599 28.432 27.740 0.155 0.000 2.166 446 C HN 0.803 nan 8.230 nan 0.000 0.609 447 N N 2.001 120.832 118.700 0.217 0.000 2.476 447 N HA 0.336 5.076 4.740 -0.001 0.000 0.275 447 N C -0.816 174.726 175.510 0.054 0.000 1.190 447 N CA -0.031 53.123 53.050 0.174 0.000 0.977 447 N CB 0.685 39.269 38.487 0.162 0.000 1.200 447 N HN 0.705 nan 8.380 nan 0.000 0.515 448 N N 0.241 118.936 118.700 -0.009 0.000 2.397 448 N HA 0.063 4.803 4.740 -0.001 0.000 0.291 448 N C 0.303 175.714 175.510 -0.165 0.000 1.065 448 N CA -0.395 52.596 53.050 -0.099 0.000 0.884 448 N CB 1.766 40.196 38.487 -0.095 0.000 1.551 448 N HN 0.180 nan 8.380 nan 0.000 0.487 449 V N 4.505 124.226 119.914 -0.321 0.000 2.688 449 V HA -0.172 3.948 4.120 -0.001 0.000 0.256 449 V C 1.882 177.691 176.094 -0.474 0.000 1.084 449 V CA 1.914 63.927 62.300 -0.479 0.000 1.103 449 V CB -0.256 31.147 31.823 -0.701 0.000 0.688 449 V HN 0.634 nan 8.190 nan 0.000 0.480 450 K N -0.675 119.438 120.400 -0.479 0.000 2.283 450 K HA 0.021 4.340 4.320 -0.001 0.000 0.202 450 K C 0.444 177.024 176.600 -0.032 0.000 1.048 450 K CA 0.500 56.611 56.287 -0.294 0.000 0.948 450 K CB 0.117 32.504 32.500 -0.189 0.000 0.742 450 K HN 0.394 nan 8.250 nan 0.000 0.458 451 V N 2.767 122.669 119.914 -0.020 0.000 2.417 451 V HA 0.188 4.308 4.120 -0.001 0.000 0.291 451 V C -2.465 173.692 176.094 0.104 0.000 1.024 451 V CA -2.497 59.821 62.300 0.030 0.000 0.861 451 V CB 1.404 33.214 31.823 -0.022 0.000 0.985 451 V HN -0.045 nan 8.190 nan 0.000 0.436 452 P HA -0.042 nan 4.420 nan 0.000 0.258 452 P C -0.130 177.260 177.300 0.150 0.000 1.172 452 P CA 0.310 63.498 63.100 0.148 0.000 0.762 452 P CB 0.224 31.973 31.700 0.082 0.000 0.764 453 Q N 3.791 123.738 119.800 0.245 0.000 2.262 453 Q HA -0.138 4.202 4.340 -0.001 0.000 0.298 453 Q C 0.063 176.174 176.000 0.185 0.000 1.083 453 Q CA 0.772 56.728 55.803 0.255 0.000 0.962 453 Q CB -0.121 28.845 28.738 0.381 0.000 1.104 453 Q HN 0.485 nan 8.270 nan 0.000 0.376 454 D N 1.698 122.205 120.400 0.177 0.000 2.748 454 D HA -0.275 4.365 4.640 -0.001 0.000 0.189 454 D C 0.857 177.143 176.300 -0.023 0.000 0.982 454 D CA 1.462 55.544 54.000 0.137 0.000 1.017 454 D CB -0.796 40.056 40.800 0.086 0.000 1.076 454 D HN 0.820 nan 8.370 nan 0.000 0.446 455 Q N 0.391 120.175 119.800 -0.027 0.000 2.084 455 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 455 Q C 1.695 177.636 176.000 -0.099 0.000 0.978 455 Q CA 1.928 57.692 55.803 -0.065 0.000 0.844 455 Q CB 0.081 28.805 28.738 -0.022 0.000 0.898 455 Q HN 0.314 nan 8.270 nan 0.000 0.426 456 N N -0.241 118.376 118.700 -0.138 0.000 2.135 456 N HA -0.103 4.636 4.740 -0.001 0.000 0.186 456 N C 1.492 176.843 175.510 -0.265 0.000 1.027 456 N CA 1.221 54.155 53.050 -0.194 0.000 0.849 456 N CB -0.569 37.771 38.487 -0.246 0.000 1.002 456 N HN 0.237 nan 8.380 nan 0.000 0.425 457 F N 1.220 121.021 119.950 -0.248 0.000 2.065 457 F HA -0.254 4.273 4.527 -0.001 0.000 0.298 457 F C 2.747 178.145 175.800 -0.671 0.000 1.112 457 F CA 1.736 59.405 58.000 -0.552 0.000 1.212 457 F CB -0.866 37.817 39.000 -0.528 0.000 0.975 457 F HN 0.180 nan 8.300 nan 0.000 0.476 458 T N -3.750 110.621 114.554 -0.305 0.000 2.857 458 T HA -0.121 4.229 4.350 -0.001 0.000 0.266 458 T C 1.823 176.442 174.700 -0.135 0.000 1.048 458 T CA 1.648 63.543 62.100 -0.342 0.000 1.139 458 T CB -0.940 67.789 68.868 -0.232 0.000 0.874 458 T HN 0.165 nan 8.240 nan 0.000 0.455 459 T N 2.300 116.794 114.554 -0.101 0.000 2.708 459 T HA 0.093 4.443 4.350 -0.001 0.000 0.266 459 T C 1.932 176.625 174.700 -0.013 0.000 1.037 459 T CA 1.493 63.573 62.100 -0.034 0.000 1.146 459 T CB -0.447 68.400 68.868 -0.035 0.000 0.865 459 T HN 0.402 nan 8.240 nan 0.000 0.435 460 I N 1.333 121.883 120.570 -0.033 0.000 2.202 460 I HA -0.126 4.043 4.170 -0.001 0.000 0.242 460 I C 2.959 179.165 176.117 0.149 0.000 1.091 460 I CA 1.032 62.375 61.300 0.072 0.000 1.368 460 I CB -0.538 37.572 38.000 0.183 0.000 1.058 460 I HN 0.174 nan 8.210 nan 0.000 0.410 461 A N 0.998 123.808 122.820 -0.017 0.000 1.908 461 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 461 A C 2.412 180.100 177.584 0.174 0.000 1.181 461 A CA 1.668 53.728 52.037 0.039 0.000 0.627 461 A CB -0.633 18.089 19.000 -0.464 0.000 0.818 461 A HN 0.312 nan 8.150 nan 0.000 0.445 462 R N -0.745 119.862 120.500 0.178 0.000 2.091 462 R HA -0.165 4.175 4.340 -0.001 0.000 0.238 462 R C 2.360 178.740 176.300 0.134 0.000 1.136 462 R CA 1.817 58.045 56.100 0.214 0.000 0.959 462 R CB -0.241 30.168 30.300 0.182 0.000 0.856 462 R HN 0.547 nan 8.270 nan 0.000 0.437 463 K N 1.028 121.489 120.400 0.103 0.000 2.025 463 K HA -0.083 4.237 4.320 -0.001 0.000 0.207 463 K C 1.926 178.578 176.600 0.086 0.000 1.049 463 K CA 1.175 57.509 56.287 0.078 0.000 0.933 463 K CB -0.137 32.397 32.500 0.057 0.000 0.714 463 K HN 0.071 nan 8.250 nan 0.000 0.438 464 L N 0.415 121.705 121.223 0.111 0.000 2.046 464 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 464 L C 2.358 179.289 176.870 0.101 0.000 1.077 464 L CA 1.078 55.980 54.840 0.103 0.000 0.747 464 L CB -0.498 41.637 42.059 0.128 0.000 0.896 464 L HN 0.194 nan 8.230 nan 0.000 0.432 465 L N -0.415 120.887 121.223 0.130 0.000 2.046 465 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 465 L C 2.707 179.624 176.870 0.079 0.000 1.077 465 L CA 1.044 55.953 54.840 0.114 0.000 0.747 465 L CB -0.509 41.642 42.059 0.153 0.000 0.896 465 L HN 0.186 nan 8.230 nan 0.000 0.432 466 K N -0.151 120.294 120.400 0.075 0.000 2.209 466 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 466 K C 1.686 178.315 176.600 0.049 0.000 1.048 466 K CA 0.962 57.281 56.287 0.054 0.000 0.940 466 K CB -0.111 32.419 32.500 0.049 0.000 0.729 466 K HN 0.338 nan 8.250 nan 0.000 0.451 467 Q N 0.709 120.542 119.800 0.056 0.000 2.247 467 Q HA 0.069 4.409 4.340 -0.001 0.000 0.205 467 Q C -0.415 175.616 176.000 0.052 0.000 0.896 467 Q CA -0.087 55.749 55.803 0.054 0.000 0.950 467 Q CB 0.140 28.913 28.738 0.058 0.000 1.054 467 Q HN 0.237 nan 8.270 nan 0.000 0.482 468 N N -0.706 118.024 118.700 0.048 0.000 2.776 468 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 468 N C -0.588 174.946 175.510 0.040 0.000 1.112 468 N CA 0.426 53.501 53.050 0.042 0.000 0.733 468 N CB -1.795 36.714 38.487 0.037 0.000 1.097 468 N HN 0.039 nan 8.380 nan 0.000 0.558 469 V N 1.405 121.346 119.914 0.045 0.000 2.555 469 V HA 0.156 4.275 4.120 -0.001 0.000 0.286 469 V C 0.952 177.067 176.094 0.035 0.000 1.044 469 V CA -0.644 61.676 62.300 0.034 0.000 1.026 469 V CB 1.368 33.209 31.823 0.031 0.000 0.981 469 V HN 0.226 nan 8.190 nan 0.000 0.480 470 L N 7.487 128.720 121.223 0.017 0.000 2.369 470 L HA 0.329 4.669 4.340 -0.001 0.000 0.279 470 L C -0.144 176.734 176.870 0.012 0.000 1.108 470 L CA 0.740 55.586 54.840 0.009 0.000 0.852 470 L CB 0.807 42.862 42.059 -0.007 0.000 1.169 470 L HN 0.443 nan 8.230 nan 0.000 0.452 471 V N 6.493 126.432 119.914 0.042 0.000 2.398 471 V HA 0.562 4.682 4.120 -0.001 0.000 0.286 471 V C -0.053 176.076 176.094 0.058 0.000 1.026 471 V CA -0.390 61.958 62.300 0.079 0.000 0.868 471 V CB 1.550 33.494 31.823 0.203 0.000 0.982 471 V HN 0.684 nan 8.190 nan 0.000 0.443 472 V N 2.161 122.103 119.914 0.046 0.000 2.960 472 V HA 1.093 5.213 4.120 -0.001 0.000 0.315 472 V C -0.231 175.909 176.094 0.077 0.000 1.087 472 V CA -0.714 61.613 62.300 0.045 0.000 0.982 472 V CB 1.826 33.665 31.823 0.027 0.000 1.039 472 V HN 1.212 nan 8.190 nan 0.000 0.437 473 A N 2.084 124.940 122.820 0.059 0.000 2.574 473 A HA 0.984 5.303 4.320 -0.001 0.000 0.297 473 A C -0.318 177.251 177.584 -0.025 0.000 1.062 473 A CA -0.015 52.030 52.037 0.014 0.000 0.686 473 A CB 1.873 20.825 19.000 -0.080 0.000 1.285 473 A HN 2.021 nan 8.150 nan 0.000 0.403 474 T N -1.458 113.074 114.554 -0.037 0.000 2.865 474 T HA 0.845 5.195 4.350 -0.001 0.000 0.294 474 T C 0.814 175.485 174.700 -0.050 0.000 1.119 474 T CA 0.430 62.538 62.100 0.013 0.000 1.007 474 T CB 1.007 69.924 68.868 0.081 0.000 1.225 474 T HN 2.685 nan 8.240 nan 0.000 0.515 475 G N -0.027 108.793 108.800 0.032 0.000 2.596 475 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.295 475 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.295 475 G C 1.099 175.939 174.900 -0.101 0.000 1.240 475 G CA 0.291 45.409 45.100 0.030 0.000 0.985 475 G HN 1.391 nan 8.290 nan 0.000 0.555 476 C N 1.648 120.895 119.300 -0.088 0.000 2.562 476 C HA 0.375 4.834 4.460 -0.001 0.000 0.266 476 C C 2.946 177.624 174.990 -0.520 0.000 1.382 476 C CA 0.985 59.876 59.018 -0.212 0.000 1.742 476 C CB -1.312 26.434 27.740 0.010 0.000 1.812 476 C HN 1.069 nan 8.230 nan 0.000 0.559 477 G N 1.064 109.498 108.800 -0.610 0.000 2.404 477 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.215 477 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.215 477 G C 1.879 176.245 174.900 -0.890 0.000 1.174 477 G CA 0.946 45.286 45.100 -1.267 0.000 0.780 477 G HN 0.555 nan 8.290 nan 0.000 0.537 478 A N 0.918 123.385 122.820 -0.588 0.000 1.933 478 A HA 0.136 4.456 4.320 -0.001 0.000 0.218 478 A C 2.691 179.903 177.584 -0.620 0.000 1.175 478 A CA 2.131 53.784 52.037 -0.641 0.000 0.628 478 A CB -1.083 17.322 19.000 -0.993 0.000 0.814 478 A HN 0.531 nan 8.150 nan 0.000 0.444 479 G N -0.415 107.942 108.800 -0.740 0.000 2.446 479 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.217 479 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.217 479 G C 1.788 176.307 174.900 -0.636 0.000 1.168 479 G CA 1.627 46.009 45.100 -1.197 0.000 0.771 479 G HN 0.813 nan 8.290 nan 0.000 0.551 480 A N 0.637 123.135 122.820 -0.537 0.000 1.865 480 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 480 A C 2.480 179.985 177.584 -0.131 0.000 1.191 480 A CA 1.563 53.452 52.037 -0.247 0.000 0.623 480 A CB -0.522 18.260 19.000 -0.364 0.000 0.826 480 A HN 0.359 nan 8.150 nan 0.000 0.444 481 L N -1.339 119.672 121.223 -0.354 0.000 2.056 481 L HA -0.179 4.161 4.340 -0.001 0.000 0.207 481 L C 2.900 179.807 176.870 0.061 0.000 1.078 481 L CA 1.319 55.999 54.840 -0.266 0.000 0.749 481 L CB -0.498 41.285 42.059 -0.462 0.000 0.901 481 L HN 0.414 nan 8.230 nan 0.000 0.433 482 M N -0.604 118.971 119.600 -0.042 0.000 2.082 482 M HA -0.249 4.230 4.480 -0.001 0.000 0.258 482 M C 2.402 178.747 176.300 0.075 0.000 1.069 482 M CA 1.849 57.176 55.300 0.044 0.000 1.102 482 M CB -0.397 32.215 32.600 0.021 0.000 1.336 482 M HN 0.155 nan 8.290 nan 0.000 0.404 483 R N -1.114 119.406 120.500 0.035 0.000 2.235 483 R HA -0.072 4.268 4.340 -0.001 0.000 0.213 483 R C 1.087 177.285 176.300 -0.171 0.000 1.059 483 R CA 0.662 56.735 56.100 -0.046 0.000 0.997 483 R CB -0.125 30.139 30.300 -0.060 0.000 0.884 483 R HN 0.528 nan 8.270 nan 0.000 0.462 484 H N -1.336 117.821 119.070 0.145 0.000 2.542 484 H HA 0.182 4.737 4.556 -0.001 0.000 0.283 484 H C 0.949 176.378 175.328 0.169 0.000 1.059 484 H CA 0.669 56.840 56.048 0.205 0.000 1.162 484 H CB 1.345 31.298 29.762 0.318 0.000 1.539 484 H HN 0.425 nan 8.280 nan 0.000 0.543 485 G N 0.927 109.839 108.800 0.187 0.000 2.157 485 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.239 485 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.239 485 G C 0.559 175.462 174.900 0.004 0.000 0.982 485 G CA 0.017 45.142 45.100 0.041 0.000 0.650 485 G HN 0.326 nan 8.290 nan 0.000 0.527 486 F N 0.106 120.071 119.950 0.025 0.000 2.748 486 F HA 0.429 4.955 4.527 -0.000 0.000 0.299 486 F C 2.430 178.239 175.800 0.016 0.000 1.154 486 F CA 1.059 59.065 58.000 0.011 0.000 1.446 486 F CB 0.109 39.101 39.000 -0.015 0.000 1.112 486 F HN 0.250 nan 8.300 nan 0.000 0.584 487 M N -0.841 118.868 119.600 0.181 0.000 2.484 487 M HA 0.114 4.594 4.480 -0.001 0.000 0.307 487 M C -0.477 175.892 176.300 0.115 0.000 1.149 487 M CA -0.024 55.366 55.300 0.150 0.000 0.972 487 M CB 0.317 33.018 32.600 0.168 0.000 1.400 487 M HN -0.230 nan 8.290 nan 0.000 0.508 488 D N 0.955 121.398 120.400 0.071 0.000 2.329 488 D HA 0.235 4.875 4.640 -0.001 0.000 0.232 488 D C -1.964 174.353 176.300 0.027 0.000 1.088 488 D CA -2.122 51.904 54.000 0.044 0.000 0.835 488 D CB 1.849 42.660 40.800 0.019 0.000 1.078 488 D HN -0.073 nan 8.370 nan 0.000 0.495 489 P HA -0.075 nan 4.420 nan 0.000 0.221 489 P C 0.934 178.240 177.300 0.009 0.000 1.145 489 P CA 0.723 63.840 63.100 0.029 0.000 0.795 489 P CB 0.150 31.876 31.700 0.044 0.000 0.775 490 A N -0.338 122.485 122.820 0.004 0.000 2.125 490 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 490 A C 1.776 179.344 177.584 -0.026 0.000 1.156 490 A CA 1.401 53.434 52.037 -0.007 0.000 0.671 490 A CB -1.490 17.507 19.000 -0.006 0.000 0.794 490 A HN 0.293 nan 8.150 nan 0.000 0.459 491 N N -0.835 117.840 118.700 -0.042 0.000 2.280 491 N HA 0.125 4.865 4.740 -0.001 0.000 0.192 491 N C 1.072 176.539 175.510 -0.072 0.000 1.109 491 N CA 0.159 53.162 53.050 -0.079 0.000 0.855 491 N CB 0.400 38.803 38.487 -0.141 0.000 0.974 491 N HN 0.207 nan 8.380 nan 0.000 0.482 492 V N 1.353 121.244 119.914 -0.037 0.000 2.287 492 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 492 V C 1.632 177.713 176.094 -0.022 0.000 1.053 492 V CA 1.795 64.082 62.300 -0.022 0.000 1.027 492 V CB -0.315 31.505 31.823 -0.005 0.000 0.646 492 V HN 0.313 nan 8.190 nan 0.000 0.447 493 D N -0.521 119.867 120.400 -0.021 0.000 2.123 493 D HA -0.196 4.444 4.640 -0.001 0.000 0.196 493 D C 2.205 178.491 176.300 -0.022 0.000 0.992 493 D CA 1.569 55.559 54.000 -0.016 0.000 0.833 493 D CB -0.170 40.622 40.800 -0.014 0.000 0.954 493 D HN 0.598 nan 8.370 nan 0.000 0.455 494 E N -0.073 120.104 120.200 -0.038 0.000 2.072 494 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 494 E C 2.125 178.696 176.600 -0.047 0.000 0.985 494 E CA 0.533 56.906 56.400 -0.046 0.000 0.801 494 E CB 0.065 29.724 29.700 -0.069 0.000 0.750 494 E HN 0.233 nan 8.360 nan 0.000 0.452 495 L N 0.098 121.284 121.223 -0.062 0.000 2.298 495 L HA 0.105 4.444 4.340 -0.001 0.000 0.209 495 L C 0.809 177.684 176.870 0.009 0.000 1.084 495 L CA -0.176 54.634 54.840 -0.050 0.000 0.816 495 L CB 0.522 42.511 42.059 -0.117 0.000 0.967 495 L HN 0.148 nan 8.230 nan 0.000 0.460 496 C N 0.742 120.046 119.300 0.007 0.000 2.350 496 C HA 0.593 5.052 4.460 -0.001 0.000 0.348 496 C C 1.193 176.195 174.990 0.021 0.000 1.260 496 C CA -1.443 57.589 59.018 0.024 0.000 1.966 496 C CB 0.502 28.253 27.740 0.019 0.000 2.380 496 C HN 0.441 nan 8.230 nan 0.000 0.535 497 G N 2.048 110.866 108.800 0.029 0.000 2.690 497 G HA2 0.108 4.067 3.960 -0.001 0.000 0.239 497 G HA3 0.108 4.067 3.960 -0.001 0.000 0.239 497 G C 0.508 175.419 174.900 0.018 0.000 1.233 497 G CA -0.006 45.109 45.100 0.024 0.000 0.847 497 G HN 0.822 nan 8.290 nan 0.000 0.588 498 D N 1.033 121.441 120.400 0.015 0.000 2.117 498 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 498 D C 2.560 178.867 176.300 0.012 0.000 0.987 498 D CA 1.627 55.634 54.000 0.011 0.000 0.829 498 D CB -0.580 40.225 40.800 0.009 0.000 0.961 498 D HN 0.473 nan 8.370 nan 0.000 0.460 499 G N 1.040 109.849 108.800 0.015 0.000 2.459 499 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 499 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 499 G C 1.607 176.516 174.900 0.015 0.000 1.183 499 G CA 0.779 45.888 45.100 0.015 0.000 0.776 499 G HN 0.263 nan 8.290 nan 0.000 0.552 500 L N 0.886 122.120 121.223 0.018 0.000 2.017 500 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 500 L C 2.669 179.546 176.870 0.011 0.000 1.073 500 L CA 2.616 57.466 54.840 0.016 0.000 0.745 500 L CB -0.658 41.415 42.059 0.024 0.000 0.894 500 L HN 0.292 nan 8.230 nan 0.000 0.432 501 K N -0.529 119.878 120.400 0.012 0.000 2.044 501 K HA -0.227 4.093 4.320 -0.001 0.000 0.210 501 K C 2.020 178.625 176.600 0.007 0.000 1.049 501 K CA 1.663 57.955 56.287 0.008 0.000 0.927 501 K CB -0.374 32.130 32.500 0.007 0.000 0.713 501 K HN 0.466 nan 8.250 nan 0.000 0.443 502 A N 0.500 123.325 122.820 0.008 0.000 1.917 502 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 502 A C 2.265 179.853 177.584 0.008 0.000 1.182 502 A CA 1.988 54.030 52.037 0.008 0.000 0.633 502 A CB -0.720 18.285 19.000 0.008 0.000 0.819 502 A HN 0.206 nan 8.150 nan 0.000 0.448 503 V N -0.022 119.897 119.914 0.007 0.000 2.323 503 V HA -0.212 3.908 4.120 -0.001 0.000 0.244 503 V C 2.560 178.655 176.094 0.002 0.000 1.041 503 V CA 1.784 64.087 62.300 0.005 0.000 1.025 503 V CB -0.763 31.063 31.823 0.004 0.000 0.656 503 V HN 0.567 nan 8.190 nan 0.000 0.451 504 L N -0.168 121.053 121.223 -0.002 0.000 2.042 504 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 504 L C 2.617 179.490 176.870 0.005 0.000 1.076 504 L CA 2.037 56.872 54.840 -0.008 0.000 0.749 504 L CB -1.090 40.962 42.059 -0.011 0.000 0.893 504 L HN 0.380 nan 8.230 nan 0.000 0.432 505 T N -0.141 114.418 114.554 0.008 0.000 2.737 505 T HA -0.142 4.207 4.350 -0.001 0.000 0.265 505 T C 2.064 176.773 174.700 0.015 0.000 1.038 505 T CA 1.262 63.369 62.100 0.013 0.000 1.144 505 T CB -0.281 68.593 68.868 0.011 0.000 0.866 505 T HN 0.442 nan 8.240 nan 0.000 0.434 506 A N 1.297 124.125 122.820 0.013 0.000 1.892 506 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 506 A C 2.297 179.893 177.584 0.019 0.000 1.188 506 A CA 1.566 53.611 52.037 0.015 0.000 0.631 506 A CB -0.892 18.115 19.000 0.013 0.000 0.822 506 A HN 0.537 nan 8.150 nan 0.000 0.447 507 I N -0.525 120.057 120.570 0.020 0.000 2.202 507 I HA -0.154 4.016 4.170 -0.001 0.000 0.242 507 I C 2.734 178.875 176.117 0.040 0.000 1.091 507 I CA 1.053 62.370 61.300 0.029 0.000 1.368 507 I CB -0.718 37.297 38.000 0.024 0.000 1.058 507 I HN 0.388 nan 8.210 nan 0.000 0.410 508 G N 0.439 109.262 108.800 0.040 0.000 2.446 508 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 508 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 508 G C 1.538 176.463 174.900 0.041 0.000 1.168 508 G CA 0.674 45.805 45.100 0.051 0.000 0.771 508 G HN 0.411 nan 8.290 nan 0.000 0.551 509 E N 0.468 120.686 120.200 0.031 0.000 2.153 509 E HA -0.006 4.344 4.350 -0.001 0.000 0.194 509 E C 2.823 179.438 176.600 0.025 0.000 0.988 509 E CA 0.632 57.047 56.400 0.025 0.000 0.811 509 E CB -0.143 29.569 29.700 0.019 0.000 0.746 509 E HN 0.427 nan 8.360 nan 0.000 0.466 510 A N 1.255 124.091 122.820 0.027 0.000 2.121 510 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 510 A C 1.559 179.161 177.584 0.030 0.000 1.154 510 A CA 0.799 52.852 52.037 0.026 0.000 0.679 510 A CB -0.066 18.949 19.000 0.026 0.000 0.795 510 A HN 0.129 nan 8.150 nan 0.000 0.458 511 N N -0.734 117.989 118.700 0.037 0.000 2.251 511 N HA 0.185 4.925 4.740 -0.001 0.000 0.217 511 N C 0.866 176.396 175.510 0.034 0.000 1.124 511 N CA 0.717 53.792 53.050 0.041 0.000 0.843 511 N CB 0.583 39.107 38.487 0.061 0.000 1.024 511 N HN 0.553 nan 8.380 nan 0.000 0.501 512 G N 1.113 109.930 108.800 0.028 0.000 2.143 512 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.248 512 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.248 512 G C 0.813 175.727 174.900 0.024 0.000 0.991 512 G CA 0.050 45.163 45.100 0.023 0.000 0.689 512 G HN 0.345 nan 8.290 nan 0.000 0.522 513 L N -0.035 121.207 121.223 0.031 0.000 2.375 513 L HA 0.334 4.673 4.340 -0.001 0.000 0.215 513 L C 2.394 179.280 176.870 0.026 0.000 1.108 513 L CA 0.783 55.643 54.840 0.033 0.000 0.830 513 L CB -0.311 41.776 42.059 0.047 0.000 0.959 513 L HN 0.981 nan 8.230 nan 0.000 0.457 514 G N 0.454 109.268 108.800 0.023 0.000 2.203 514 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.263 514 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.263 514 G C 0.385 175.297 174.900 0.019 0.000 1.012 514 G CA 0.221 45.332 45.100 0.019 0.000 0.749 514 G HN 0.685 nan 8.290 nan 0.000 0.512 515 G N -1.363 107.451 108.800 0.024 0.000 2.523 515 G HA2 0.761 4.721 3.960 -0.001 0.000 0.291 515 G HA3 0.761 4.721 3.960 -0.001 0.000 0.291 515 G C -3.194 171.724 174.900 0.030 0.000 1.450 515 G CA -0.042 45.072 45.100 0.024 0.000 0.790 515 G HN 0.314 nan 8.290 nan 0.000 0.496 516 P HA 0.363 nan 4.420 nan 0.000 0.274 516 P C 0.457 177.782 177.300 0.042 0.000 1.246 516 P CA -0.433 62.683 63.100 0.027 0.000 0.795 516 P CB 1.122 32.831 31.700 0.015 0.000 1.006 517 L N 1.423 122.666 121.223 0.034 0.000 2.483 517 L HA 0.119 4.459 4.340 -0.001 0.000 0.277 517 L C -1.543 175.336 176.870 0.014 0.000 1.248 517 L CA -1.435 53.423 54.840 0.031 0.000 0.825 517 L CB -0.705 41.312 42.059 -0.070 0.000 1.096 517 L HN 0.317 nan 8.230 nan 0.000 0.512 518 P HA 0.100 nan 4.420 nan 0.000 0.272 518 P C -2.307 174.995 177.300 0.003 0.000 1.240 518 P CA -1.441 61.681 63.100 0.037 0.000 0.791 518 P CB -0.071 31.689 31.700 0.101 0.000 0.978 519 P HA -0.095 nan 4.420 nan 0.000 0.218 519 P C 0.087 177.435 177.300 0.081 0.000 1.148 519 P CA 1.409 64.544 63.100 0.058 0.000 0.822 519 P CB 0.134 31.878 31.700 0.073 0.000 0.784 520 V N -0.182 119.787 119.914 0.091 0.000 2.656 520 V HA 0.253 4.373 4.120 -0.001 0.000 0.307 520 V C -0.193 175.906 176.094 0.008 0.000 1.051 520 V CA -0.833 61.511 62.300 0.073 0.000 0.893 520 V CB 2.280 34.174 31.823 0.118 0.000 0.999 520 V HN -0.169 nan 8.190 nan 0.000 0.426 521 L N 4.234 125.426 121.223 -0.051 0.000 2.257 521 L HA 0.440 4.780 4.340 -0.001 0.000 0.290 521 L C -0.115 176.838 176.870 0.138 0.000 1.044 521 L CA -0.610 54.158 54.840 -0.120 0.000 0.810 521 L CB 0.560 42.437 42.059 -0.303 0.000 1.193 521 L HN 0.643 nan 8.230 nan 0.000 0.425 522 H N 5.276 124.464 119.070 0.196 0.000 3.015 522 H HA 0.189 4.745 4.556 -0.001 0.000 0.268 522 H C 0.367 175.811 175.328 0.193 0.000 1.113 522 H CA 0.015 56.167 56.048 0.173 0.000 1.479 522 H CB 1.071 30.933 29.762 0.166 0.000 1.493 522 H HN 0.611 nan 8.280 nan 0.000 0.486 523 M N 3.370 123.233 119.600 0.438 0.000 2.428 523 M HA 0.186 4.666 4.480 -0.001 0.000 0.239 523 M C 1.024 177.439 176.300 0.192 0.000 1.121 523 M CA 0.593 56.043 55.300 0.250 0.000 1.019 523 M CB 0.663 33.360 32.600 0.162 0.000 1.485 523 M HN 0.816 nan 8.290 nan 0.000 0.484 524 G N 0.523 109.519 108.800 0.326 0.000 2.295 524 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.195 524 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.195 524 G C -0.364 174.677 174.900 0.236 0.000 1.269 524 G CA -0.293 44.890 45.100 0.138 0.000 1.170 524 G HN 0.407 nan 8.290 nan 0.000 0.511 525 S N -1.016 114.763 115.700 0.131 0.000 2.626 525 S HA 0.368 4.838 4.470 -0.001 0.000 0.257 525 S C 1.643 176.317 174.600 0.125 0.000 1.288 525 S CA 0.662 58.941 58.200 0.132 0.000 0.980 525 S CB 0.845 64.115 63.200 0.117 0.000 0.975 525 S HN 1.419 nan 8.310 nan 0.000 0.577 526 C N 0.319 119.710 119.300 0.152 0.000 2.440 526 C HA -0.038 4.421 4.460 -0.001 0.000 0.278 526 C C 2.882 177.899 174.990 0.044 0.000 1.295 526 C CA 0.658 59.763 59.018 0.145 0.000 1.738 526 C CB -1.764 26.135 27.740 0.265 0.000 1.987 526 C HN 0.805 nan 8.230 nan 0.000 0.492 527 V N 0.090 119.999 119.914 -0.008 0.000 2.490 527 V HA -0.156 3.964 4.120 -0.001 0.000 0.250 527 V C 1.485 177.545 176.094 -0.057 0.000 1.061 527 V CA 2.426 64.646 62.300 -0.133 0.000 1.064 527 V CB -0.910 30.779 31.823 -0.223 0.000 0.670 527 V HN 0.355 nan 8.190 nan 0.000 0.461 528 D N 0.900 121.299 120.400 -0.001 0.000 2.378 528 D HA -0.059 4.581 4.640 -0.001 0.000 0.227 528 D C 1.831 178.154 176.300 0.038 0.000 1.012 528 D CA 0.507 54.508 54.000 0.001 0.000 0.905 528 D CB -0.589 40.230 40.800 0.033 0.000 0.895 528 D HN 0.496 nan 8.370 nan 0.000 0.532 529 N N 0.485 119.240 118.700 0.092 0.000 2.258 529 N HA -0.169 4.571 4.740 -0.001 0.000 0.187 529 N C 1.783 177.405 175.510 0.187 0.000 1.012 529 N CA 1.174 54.338 53.050 0.190 0.000 0.870 529 N CB -0.173 38.497 38.487 0.304 0.000 0.977 529 N HN 0.275 nan 8.380 nan 0.000 0.434 530 S N 0.942 116.651 115.700 0.015 0.000 2.400 530 S HA -0.082 4.388 4.470 -0.001 0.000 0.232 530 S C 1.847 176.264 174.600 -0.305 0.000 1.025 530 S CA 0.573 58.640 58.200 -0.221 0.000 0.993 530 S CB -0.193 62.751 63.200 -0.426 0.000 0.808 530 S HN 0.301 nan 8.310 nan 0.000 0.478 531 R N 1.487 121.873 120.500 -0.189 0.000 2.081 531 R HA 0.050 4.390 4.340 -0.001 0.000 0.235 531 R C 2.819 179.103 176.300 -0.028 0.000 1.131 531 R CA 1.312 57.337 56.100 -0.125 0.000 0.960 531 R CB -0.901 29.372 30.300 -0.045 0.000 0.856 531 R HN 0.582 nan 8.270 nan 0.000 0.436 532 A N 0.907 123.744 122.820 0.029 0.000 1.908 532 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 532 A C 2.400 180.030 177.584 0.076 0.000 1.181 532 A CA 1.507 53.582 52.037 0.064 0.000 0.627 532 A CB -0.582 18.473 19.000 0.090 0.000 0.818 532 A HN 0.117 nan 8.150 nan 0.000 0.445 533 V N -0.110 119.859 119.914 0.093 0.000 2.295 533 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 533 V C 3.070 179.224 176.094 0.100 0.000 1.049 533 V CA 1.998 64.359 62.300 0.102 0.000 1.024 533 V CB -1.358 30.506 31.823 0.067 0.000 0.648 533 V HN 0.632 nan 8.190 nan 0.000 0.447 534 A N -0.152 122.719 122.820 0.084 0.000 1.883 534 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 534 A C 2.187 179.813 177.584 0.069 0.000 1.186 534 A CA 2.304 54.408 52.037 0.111 0.000 0.624 534 A CB -0.644 18.387 19.000 0.052 0.000 0.822 534 A HN 0.449 nan 8.150 nan 0.000 0.444 535 L N -0.090 121.161 121.223 0.047 0.000 1.994 535 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 535 L C 2.437 179.330 176.870 0.039 0.000 1.071 535 L CA 2.074 56.939 54.840 0.042 0.000 0.745 535 L CB -0.635 41.447 42.059 0.038 0.000 0.892 535 L HN 0.162 nan 8.230 nan 0.000 0.431 536 V N 0.026 119.966 119.914 0.043 0.000 2.343 536 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 536 V C 2.772 178.886 176.094 0.033 0.000 1.051 536 V CA 1.541 63.863 62.300 0.036 0.000 1.036 536 V CB -1.331 30.517 31.823 0.041 0.000 0.654 536 V HN 0.603 nan 8.190 nan 0.000 0.451 537 A N -0.079 122.766 122.820 0.042 0.000 1.930 537 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 537 A C 2.404 180.002 177.584 0.024 0.000 1.175 537 A CA 1.882 53.938 52.037 0.031 0.000 0.627 537 A CB -0.638 18.384 19.000 0.037 0.000 0.815 537 A HN 0.551 nan 8.150 nan 0.000 0.443 538 A N -0.249 122.589 122.820 0.031 0.000 1.898 538 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 538 A C 2.151 179.746 177.584 0.019 0.000 1.181 538 A CA 1.372 53.424 52.037 0.024 0.000 0.620 538 A CB -0.554 18.465 19.000 0.031 0.000 0.819 538 A HN 0.456 nan 8.150 nan 0.000 0.442 539 L N -0.710 120.525 121.223 0.020 0.000 2.046 539 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 539 L C 3.130 180.008 176.870 0.013 0.000 1.077 539 L CA 1.100 55.950 54.840 0.016 0.000 0.747 539 L CB -0.560 41.509 42.059 0.016 0.000 0.896 539 L HN 0.439 nan 8.230 nan 0.000 0.432 540 A N 0.222 123.050 122.820 0.013 0.000 1.883 540 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 540 A C 2.088 179.676 177.584 0.006 0.000 1.186 540 A CA 2.347 54.389 52.037 0.009 0.000 0.624 540 A CB -0.770 18.236 19.000 0.009 0.000 0.822 540 A HN 0.466 nan 8.150 nan 0.000 0.444 541 N N -0.574 118.129 118.700 0.005 0.000 2.120 541 N HA -0.173 4.567 4.740 -0.001 0.000 0.188 541 N C 1.822 177.334 175.510 0.003 0.000 1.024 541 N CA 1.595 54.645 53.050 0.001 0.000 0.852 541 N CB -0.316 38.169 38.487 -0.002 0.000 1.003 541 N HN 0.364 nan 8.380 nan 0.000 0.424 542 R N 0.334 120.838 120.500 0.006 0.000 2.096 542 R HA 0.104 4.443 4.340 -0.001 0.000 0.235 542 R C 1.767 178.071 176.300 0.007 0.000 1.127 542 R CA 1.199 57.303 56.100 0.007 0.000 0.968 542 R CB -0.534 29.772 30.300 0.010 0.000 0.861 542 R HN 0.335 nan 8.270 nan 0.000 0.440 543 L N -1.016 120.212 121.223 0.008 0.000 2.509 543 L HA 0.259 4.599 4.340 -0.001 0.000 0.222 543 L C 1.082 177.956 176.870 0.006 0.000 1.123 543 L CA 0.490 55.335 54.840 0.008 0.000 0.856 543 L CB -0.027 42.037 42.059 0.010 0.000 0.985 543 L HN 0.543 nan 8.230 nan 0.000 0.456 544 G N 1.152 109.954 108.800 0.004 0.000 2.198 544 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.260 544 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.260 544 G C 0.104 175.006 174.900 0.003 0.000 1.025 544 G CA 0.427 45.529 45.100 0.002 0.000 0.769 544 G HN 0.324 nan 8.290 nan 0.000 0.507 545 V N -3.921 115.995 119.914 0.005 0.000 3.074 545 V HA 0.894 5.013 4.120 -0.001 0.000 0.314 545 V C 0.089 176.186 176.094 0.006 0.000 1.117 545 V CA -1.059 61.244 62.300 0.006 0.000 1.014 545 V CB 2.182 34.010 31.823 0.008 0.000 1.057 545 V HN 0.129 nan 8.190 nan 0.000 0.438 546 D N 0.165 120.569 120.400 0.008 0.000 2.383 546 D HA 0.353 4.993 4.640 -0.001 0.000 0.248 546 D C 0.947 177.253 176.300 0.010 0.000 1.170 546 D CA -0.263 53.743 54.000 0.009 0.000 0.977 546 D CB 1.531 42.338 40.800 0.012 0.000 1.120 546 D HN 0.507 nan 8.370 nan 0.000 0.481 547 L N 1.104 122.334 121.223 0.012 0.000 2.191 547 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 547 L C 1.686 178.561 176.870 0.008 0.000 1.103 547 L CA 1.264 56.111 54.840 0.012 0.000 0.769 547 L CB -0.704 41.366 42.059 0.018 0.000 0.908 547 L HN 0.508 nan 8.230 nan 0.000 0.438 548 D N -0.998 119.409 120.400 0.012 0.000 2.363 548 D HA -0.129 4.511 4.640 -0.001 0.000 0.226 548 D C 1.712 178.022 176.300 0.016 0.000 1.020 548 D CA 0.495 54.505 54.000 0.016 0.000 0.892 548 D CB -0.134 40.683 40.800 0.028 0.000 0.900 548 D HN 0.310 nan 8.370 nan 0.000 0.531 549 R N -0.364 120.142 120.500 0.010 0.000 2.365 549 R HA 0.306 4.646 4.340 -0.001 0.000 0.223 549 R C 0.409 176.710 176.300 0.002 0.000 0.899 549 R CA -0.265 55.839 56.100 0.007 0.000 1.059 549 R CB 0.760 31.066 30.300 0.008 0.000 1.086 549 R HN 0.161 nan 8.270 nan 0.000 0.522 550 L N 3.315 124.538 121.223 0.000 0.000 2.350 550 L HA 0.266 4.606 4.340 -0.001 0.000 0.275 550 L C -1.838 175.024 176.870 -0.013 0.000 1.099 550 L CA -2.008 52.830 54.840 -0.003 0.000 0.808 550 L CB 0.830 42.889 42.059 -0.001 0.000 1.149 550 L HN -0.248 nan 8.230 nan 0.000 0.442 551 P HA 0.104 nan 4.420 nan 0.000 0.226 551 P C -0.837 176.444 177.300 -0.032 0.000 1.783 551 P CA 0.124 63.210 63.100 -0.023 0.000 0.980 551 P CB 0.048 31.742 31.700 -0.008 0.000 1.967 552 V N 2.397 122.285 119.914 -0.044 0.000 2.638 552 V HA 0.458 4.578 4.120 -0.001 0.000 0.306 552 V C 0.375 176.415 176.094 -0.091 0.000 1.052 552 V CA -0.856 61.410 62.300 -0.056 0.000 0.885 552 V CB 2.532 34.334 31.823 -0.035 0.000 0.999 552 V HN 0.236 nan 8.190 nan 0.000 0.424 553 V N 1.527 121.369 119.914 -0.120 0.000 3.102 553 V HA 1.094 5.213 4.120 -0.001 0.000 0.312 553 V C -0.264 175.718 176.094 -0.186 0.000 1.135 553 V CA -0.780 61.422 62.300 -0.165 0.000 1.022 553 V CB 1.980 33.701 31.823 -0.170 0.000 1.056 553 V HN 1.233 nan 8.190 nan 0.000 0.436 554 A N 1.014 123.713 122.820 -0.201 0.000 2.413 554 A HA 0.932 5.252 4.320 -0.001 0.000 0.307 554 A C -0.352 177.132 177.584 -0.167 0.000 1.087 554 A CA -0.228 51.687 52.037 -0.202 0.000 0.750 554 A CB 1.932 20.819 19.000 -0.188 0.000 1.296 554 A HN 1.802 nan 8.150 nan 0.000 0.423 555 S N 0.426 116.036 115.700 -0.150 0.000 2.776 555 S HA 0.555 5.025 4.470 -0.001 0.000 0.284 555 S C -0.489 174.181 174.600 0.117 0.000 1.160 555 S CA 0.214 58.432 58.200 0.030 0.000 1.051 555 S CB 0.717 63.961 63.200 0.073 0.000 1.037 555 S HN 1.858 nan 8.310 nan 0.000 0.485 556 A N 4.165 126.987 122.820 0.003 0.000 3.015 556 A HA 0.659 4.979 4.320 -0.001 0.000 0.293 556 A C 1.330 178.833 177.584 -0.136 0.000 1.572 556 A CA 0.045 52.090 52.037 0.013 0.000 1.274 556 A CB -0.632 18.354 19.000 -0.023 0.000 1.156 556 A HN 1.199 nan 8.150 nan 0.000 0.562 557 A N 1.226 123.926 122.820 -0.200 0.000 2.066 557 A HA 0.046 4.366 4.320 -0.001 0.000 0.218 557 A C 1.001 178.302 177.584 -0.471 0.000 1.157 557 A CA 1.152 52.968 52.037 -0.368 0.000 0.670 557 A CB -0.008 18.680 19.000 -0.520 0.000 0.804 557 A HN 0.675 nan 8.150 nan 0.000 0.453 558 E N -0.486 119.427 120.200 -0.478 0.000 3.729 558 E HA 0.400 4.749 4.350 -0.001 0.000 0.195 558 E C -0.241 176.316 176.600 -0.073 0.000 1.005 558 E CA -0.248 56.003 56.400 -0.249 0.000 1.356 558 E CB 0.743 30.306 29.700 -0.228 0.000 1.138 558 E HN 0.464 nan 8.360 nan 0.000 0.450 559 A N 1.308 124.084 122.820 -0.072 0.000 2.520 559 A HA 0.182 4.502 4.320 -0.001 0.000 0.235 559 A C 0.736 178.312 177.584 -0.013 0.000 1.065 559 A CA 0.375 52.406 52.037 -0.010 0.000 0.764 559 A CB 0.510 19.488 19.000 -0.036 0.000 1.002 559 A HN 0.406 nan 8.150 nan 0.000 0.502 560 M N 0.767 120.386 119.600 0.031 0.000 2.146 560 M HA 0.112 4.592 4.480 -0.001 0.000 0.194 560 M C 0.424 176.742 176.300 0.032 0.000 1.652 560 M CA 0.286 55.595 55.300 0.015 0.000 0.986 560 M CB -0.349 32.270 32.600 0.033 0.000 1.496 560 M HN 0.913 nan 8.290 nan 0.000 0.576 561 H N 2.262 121.333 119.070 0.003 0.000 2.615 561 H HA 0.119 4.674 4.556 -0.001 0.000 0.363 561 H C 0.383 175.700 175.328 -0.018 0.000 1.148 561 H CA 1.038 57.082 56.048 -0.006 0.000 1.401 561 H CB 1.185 30.951 29.762 0.008 0.000 1.461 561 H HN 0.367 nan 8.280 nan 0.000 0.588 562 E N 2.611 122.704 120.200 -0.179 0.000 2.130 562 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 562 E C 1.886 178.572 176.600 0.143 0.000 0.998 562 E CA 1.306 57.692 56.400 -0.022 0.000 0.806 562 E CB 0.182 29.820 29.700 -0.105 0.000 0.738 562 E HN 0.576 nan 8.360 nan 0.000 0.459 563 K N 0.285 120.896 120.400 0.352 0.000 2.074 563 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 563 K C 2.179 178.893 176.600 0.191 0.000 1.048 563 K CA 1.252 57.607 56.287 0.114 0.000 0.926 563 K CB -0.184 32.186 32.500 -0.217 0.000 0.713 563 K HN 0.097 nan 8.250 nan 0.000 0.444 564 A N 0.872 123.790 122.820 0.163 0.000 1.930 564 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 564 A C 2.349 179.958 177.584 0.043 0.000 1.175 564 A CA 1.236 53.331 52.037 0.097 0.000 0.627 564 A CB -0.496 18.561 19.000 0.094 0.000 0.815 564 A HN 0.071 nan 8.150 nan 0.000 0.443 565 V N -0.038 119.904 119.914 0.048 0.000 2.295 565 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 565 V C 3.062 179.196 176.094 0.067 0.000 1.049 565 V CA 1.949 64.268 62.300 0.032 0.000 1.024 565 V CB -1.312 30.511 31.823 0.000 0.000 0.648 565 V HN 0.608 nan 8.190 nan 0.000 0.447 566 A N -0.034 122.841 122.820 0.091 0.000 1.883 566 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 566 A C 2.196 179.770 177.584 -0.015 0.000 1.186 566 A CA 2.114 54.233 52.037 0.138 0.000 0.624 566 A CB -0.590 18.552 19.000 0.238 0.000 0.822 566 A HN 0.499 nan 8.150 nan 0.000 0.444 567 I N -0.322 120.146 120.570 -0.170 0.000 2.179 567 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 567 I C 2.734 178.319 176.117 -0.886 0.000 1.088 567 I CA 1.230 62.015 61.300 -0.857 0.000 1.357 567 I CB -0.640 37.088 38.000 -0.453 0.000 1.051 567 I HN 0.400 nan 8.210 nan 0.000 0.409 568 G N -0.047 108.555 108.800 -0.330 0.000 2.440 568 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.218 568 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.218 568 G C 1.651 176.434 174.900 -0.194 0.000 1.154 568 G CA 1.567 46.577 45.100 -0.149 0.000 0.767 568 G HN 0.316 nan 8.290 nan 0.000 0.552 569 T N 0.751 115.333 114.554 0.047 0.000 2.812 569 T HA -0.109 4.241 4.350 -0.001 0.000 0.264 569 T C 2.053 176.776 174.700 0.039 0.000 1.042 569 T CA 1.300 63.468 62.100 0.113 0.000 1.140 569 T CB -0.333 68.680 68.868 0.241 0.000 0.870 569 T HN 0.790 nan 8.240 nan 0.000 0.445 570 W N 1.863 123.173 121.300 0.016 0.000 2.467 570 W HA 0.215 4.875 4.660 -0.001 0.000 0.275 570 W C 2.176 178.659 176.519 -0.060 0.000 1.239 570 W CA 0.370 57.709 57.345 -0.011 0.000 1.266 570 W CB -0.775 28.697 29.460 0.019 0.000 1.112 570 W HN 0.219 nan 8.180 nan 0.000 0.576 571 A N 1.965 124.747 122.820 -0.063 0.000 1.908 571 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 571 A C 2.251 179.757 177.584 -0.131 0.000 1.181 571 A CA 2.613 54.593 52.037 -0.094 0.000 0.627 571 A CB -1.093 17.684 19.000 -0.372 0.000 0.818 571 A HN 0.157 nan 8.150 nan 0.000 0.445 572 V N -0.284 119.451 119.914 -0.298 0.000 2.343 572 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 572 V C 2.723 178.750 176.094 -0.111 0.000 1.051 572 V CA 2.471 64.579 62.300 -0.319 0.000 1.036 572 V CB -1.170 30.314 31.823 -0.565 0.000 0.654 572 V HN 0.622 nan 8.190 nan 0.000 0.451 573 T N 1.103 115.648 114.554 -0.015 0.000 2.867 573 T HA -0.060 4.290 4.350 -0.001 0.000 0.268 573 T C 1.718 176.451 174.700 0.054 0.000 1.057 573 T CA 1.755 63.880 62.100 0.041 0.000 1.136 573 T CB -0.286 68.640 68.868 0.097 0.000 0.874 573 T HN 0.701 nan 8.240 nan 0.000 0.466 574 I N -1.334 119.289 120.570 0.090 0.000 3.428 574 I HA 0.400 4.569 4.170 -0.001 0.000 0.286 574 I C 1.430 177.570 176.117 0.039 0.000 1.287 574 I CA 0.527 61.872 61.300 0.074 0.000 1.396 574 I CB -0.238 37.832 38.000 0.116 0.000 1.062 574 I HN 0.312 nan 8.210 nan 0.000 0.471 575 G N 1.599 110.405 108.800 0.010 0.000 2.151 575 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.140 575 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.140 575 G C -0.188 174.685 174.900 -0.045 0.000 1.020 575 G CA -0.354 44.742 45.100 -0.006 0.000 0.688 575 G HN 0.279 nan 8.290 nan 0.000 0.500 576 L N 0.902 122.066 121.223 -0.099 0.000 2.307 576 L HA 0.464 4.804 4.340 -0.001 0.000 0.282 576 L C -2.155 174.503 176.870 -0.353 0.000 1.051 576 L CA -2.285 52.451 54.840 -0.172 0.000 0.804 576 L CB 1.543 43.515 42.059 -0.146 0.000 1.197 576 L HN -0.150 nan 8.230 nan 0.000 0.431 577 P HA 0.084 nan 4.420 nan 0.000 0.267 577 P C -0.871 176.131 177.300 -0.498 0.000 1.209 577 P CA 0.060 62.655 63.100 -0.842 0.000 0.763 577 P CB 0.581 31.849 31.700 -0.719 0.000 0.816 578 T N 3.099 117.362 114.554 -0.485 0.000 2.892 578 T HA 0.166 4.515 4.350 -0.001 0.000 0.311 578 T C -0.535 174.113 174.700 -0.086 0.000 1.033 578 T CA -0.425 61.489 62.100 -0.310 0.000 0.991 578 T CB 0.003 68.576 68.868 -0.491 0.000 0.981 578 T HN 0.437 nan 8.240 nan 0.000 0.457 579 H N 4.130 123.137 119.070 -0.106 0.000 2.683 579 H HA 0.531 5.087 4.556 -0.001 0.000 0.339 579 H C -0.939 174.412 175.328 0.039 0.000 1.081 579 H CA -0.210 55.828 56.048 -0.017 0.000 1.432 579 H CB 0.756 30.489 29.762 -0.047 0.000 1.462 579 H HN 0.542 nan 8.280 nan 0.000 0.557 580 I N 3.906 124.120 120.570 -0.593 0.000 2.466 580 I HA 0.263 4.432 4.170 -0.001 0.000 0.289 580 I C 0.591 176.278 176.117 -0.716 0.000 1.026 580 I CA -0.503 60.460 61.300 -0.562 0.000 1.078 580 I CB 1.488 39.361 38.000 -0.211 0.000 1.249 580 I HN 0.790 nan 8.210 nan 0.000 0.429 581 G N 6.635 115.092 108.800 -0.571 0.000 3.337 581 G HA2 0.356 4.315 3.960 -0.001 0.000 0.246 581 G HA3 0.356 4.315 3.960 -0.001 0.000 0.246 581 G C -0.034 174.791 174.900 -0.124 0.000 1.131 581 G CA 0.392 45.356 45.100 -0.226 0.000 0.773 581 G HN 0.515 nan 8.290 nan 0.000 0.544 582 V N -3.005 116.819 119.914 -0.148 0.000 3.102 582 V HA 0.717 4.836 4.120 -0.001 0.000 0.312 582 V C -0.740 175.290 176.094 -0.106 0.000 1.135 582 V CA -1.701 60.537 62.300 -0.103 0.000 1.022 582 V CB 2.138 33.899 31.823 -0.102 0.000 1.056 582 V HN -0.117 nan 8.190 nan 0.000 0.436 583 L N 4.938 126.113 121.223 -0.080 0.000 2.325 583 L HA 0.569 4.909 4.340 -0.001 0.000 0.284 583 L C -1.953 174.856 176.870 -0.102 0.000 1.089 583 L CA -1.246 53.544 54.840 -0.082 0.000 0.836 583 L CB 0.464 42.492 42.059 -0.052 0.000 1.184 583 L HN 0.708 nan 8.230 nan 0.000 0.444 584 P HA 0.303 nan 4.420 nan 0.000 0.276 584 P C -2.689 174.541 177.300 -0.116 0.000 1.244 584 P CA -1.909 61.102 63.100 -0.148 0.000 0.801 584 P CB 0.012 31.573 31.700 -0.232 0.000 1.006 585 P HA 0.200 nan 4.420 nan 0.000 0.230 585 P C 0.452 177.709 177.300 -0.073 0.000 1.791 585 P CA 0.194 63.253 63.100 -0.069 0.000 1.020 585 P CB -0.879 30.791 31.700 -0.050 0.000 1.977 586 I N -2.579 117.941 120.570 -0.084 0.000 4.526 586 I HA 0.087 4.257 4.170 -0.001 0.000 0.330 586 I C 1.372 177.450 176.117 -0.065 0.000 1.323 586 I CA -0.023 61.229 61.300 -0.080 0.000 1.218 586 I CB -0.294 37.642 38.000 -0.107 0.000 1.233 586 I HN -0.096 nan 8.210 nan 0.000 0.430 587 T N -1.051 113.466 114.554 -0.061 0.000 3.007 587 T HA 0.026 4.376 4.350 -0.001 0.000 0.270 587 T C 1.860 176.520 174.700 -0.068 0.000 1.107 587 T CA 1.108 63.179 62.100 -0.047 0.000 1.118 587 T CB -0.826 68.023 68.868 -0.031 0.000 0.889 587 T HN 0.466 nan 8.240 nan 0.000 0.506 588 G N 0.504 109.252 108.800 -0.087 0.000 2.598 588 G HA2 0.106 4.066 3.960 -0.001 0.000 0.215 588 G HA3 0.106 4.066 3.960 -0.001 0.000 0.215 588 G C 0.584 175.414 174.900 -0.115 0.000 1.131 588 G CA 0.349 45.373 45.100 -0.128 0.000 0.785 588 G HN 0.618 nan 8.290 nan 0.000 0.539 589 S N -0.280 115.374 115.700 -0.076 0.000 2.733 589 S HA 0.362 4.832 4.470 -0.001 0.000 0.307 589 S C 0.878 175.457 174.600 -0.034 0.000 1.127 589 S CA -0.826 57.340 58.200 -0.057 0.000 1.097 589 S CB 1.178 64.351 63.200 -0.046 0.000 1.003 589 S HN 0.059 nan 8.310 nan 0.000 0.477 590 L N 7.456 128.666 121.223 -0.022 0.000 2.012 590 L HA 0.183 4.523 4.340 -0.001 0.000 0.210 590 L C -1.161 175.710 176.870 0.002 0.000 1.073 590 L CA 2.089 56.929 54.840 0.001 0.000 0.748 590 L CB -1.089 40.983 42.059 0.021 0.000 0.891 590 L HN 0.464 nan 8.230 nan 0.000 0.431 591 P HA -0.144 nan 4.420 nan 0.000 0.215 591 P C 2.077 179.378 177.300 0.002 0.000 1.153 591 P CA 1.455 64.555 63.100 0.002 0.000 0.853 591 P CB -0.041 31.658 31.700 -0.001 0.000 0.788 592 V N -0.559 119.352 119.914 -0.005 0.000 2.307 592 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 592 V C 2.331 178.427 176.094 0.003 0.000 1.045 592 V CA 2.517 64.815 62.300 -0.004 0.000 1.024 592 V CB -1.807 30.006 31.823 -0.018 0.000 0.651 592 V HN 0.183 nan 8.190 nan 0.000 0.449 593 T N -0.689 113.862 114.554 -0.005 0.000 2.720 593 T HA -0.329 4.021 4.350 -0.001 0.000 0.268 593 T C 1.912 176.629 174.700 0.028 0.000 1.037 593 T CA 2.090 64.191 62.100 0.002 0.000 1.144 593 T CB -0.252 68.614 68.868 -0.003 0.000 0.864 593 T HN 0.527 nan 8.240 nan 0.000 0.444 594 Q N 0.109 119.923 119.800 0.023 0.000 2.084 594 Q HA -0.059 4.280 4.340 -0.001 0.000 0.202 594 Q C 2.270 178.290 176.000 0.034 0.000 0.978 594 Q CA 1.264 57.082 55.803 0.025 0.000 0.844 594 Q CB -0.276 28.471 28.738 0.015 0.000 0.898 594 Q HN 0.547 nan 8.270 nan 0.000 0.426 595 I N 0.284 120.874 120.570 0.034 0.000 2.179 595 I HA -0.318 3.851 4.170 -0.001 0.000 0.242 595 I C 2.080 178.246 176.117 0.081 0.000 1.088 595 I CA 1.074 62.399 61.300 0.042 0.000 1.357 595 I CB -0.195 37.825 38.000 0.033 0.000 1.051 595 I HN 0.266 nan 8.210 nan 0.000 0.409 596 L N 0.016 121.304 121.223 0.109 0.000 2.156 596 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 596 L C 2.439 179.481 176.870 0.286 0.000 1.095 596 L CA 1.701 56.672 54.840 0.217 0.000 0.770 596 L CB -0.698 41.465 42.059 0.173 0.000 0.914 596 L HN 0.437 nan 8.230 nan 0.000 0.439 597 T N -6.699 107.970 114.554 0.191 0.000 3.040 597 T HA 0.106 4.455 4.350 -0.001 0.000 0.250 597 T C 1.399 176.173 174.700 0.123 0.000 1.058 597 T CA 0.564 62.790 62.100 0.210 0.000 0.988 597 T CB 0.808 69.765 68.868 0.149 0.000 0.993 597 T HN 0.164 nan 8.240 nan 0.000 0.519 598 S N 1.008 116.745 115.700 0.061 0.000 4.198 598 S HA 0.108 4.578 4.470 -0.001 0.000 0.202 598 S C 1.865 176.449 174.600 -0.027 0.000 1.124 598 S CA 0.651 58.834 58.200 -0.029 0.000 1.050 598 S CB -0.278 62.903 63.200 -0.032 0.000 1.401 598 S HN 0.504 nan 8.310 nan 0.000 0.589 599 S N 1.474 117.173 115.700 -0.002 0.000 2.453 599 S HA 0.030 4.500 4.470 -0.001 0.000 0.231 599 S C 1.701 176.297 174.600 -0.008 0.000 1.005 599 S CA 1.057 59.251 58.200 -0.010 0.000 0.949 599 S CB -0.496 62.701 63.200 -0.004 0.000 0.774 599 S HN 0.440 nan 8.310 nan 0.000 0.510 600 V N 2.079 122.002 119.914 0.016 0.000 2.720 600 V HA -0.168 3.951 4.120 -0.001 0.000 0.256 600 V C 2.240 178.338 176.094 0.006 0.000 1.082 600 V CA 1.756 64.061 62.300 0.008 0.000 1.101 600 V CB -0.726 31.124 31.823 0.046 0.000 0.693 600 V HN 0.502 nan 8.190 nan 0.000 0.479 601 K N -0.223 120.191 120.400 0.023 0.000 2.113 601 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 601 K C 1.632 178.230 176.600 -0.004 0.000 1.047 601 K CA 1.877 58.176 56.287 0.019 0.000 0.928 601 K CB -0.289 32.169 32.500 -0.070 0.000 0.716 601 K HN 0.518 nan 8.250 nan 0.000 0.446 602 D N 0.100 120.487 120.400 -0.021 0.000 2.363 602 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 602 D C 1.628 177.915 176.300 -0.022 0.000 0.994 602 D CA 0.778 54.772 54.000 -0.011 0.000 0.890 602 D CB 0.177 40.973 40.800 -0.007 0.000 0.906 602 D HN 0.277 nan 8.370 nan 0.000 0.530 603 I N -0.053 120.459 120.570 -0.098 0.000 2.900 603 I HA -0.096 4.074 4.170 -0.001 0.000 0.251 603 I C 2.232 178.245 176.117 -0.174 0.000 1.102 603 I CA 1.009 62.122 61.300 -0.313 0.000 1.457 603 I CB 0.126 37.876 38.000 -0.418 0.000 1.285 603 I HN -0.054 nan 8.210 nan 0.000 0.459 604 T N -2.773 111.731 114.554 -0.082 0.000 2.971 604 T HA 0.345 4.694 4.350 -0.001 0.000 0.252 604 T C 1.575 176.286 174.700 0.018 0.000 1.022 604 T CA 0.589 62.679 62.100 -0.017 0.000 0.980 604 T CB 0.950 69.807 68.868 -0.019 0.000 1.044 604 T HN 0.502 nan 8.240 nan 0.000 0.501 605 G N 0.745 109.564 108.800 0.031 0.000 2.253 605 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.251 605 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.251 605 G C 0.556 175.525 174.900 0.116 0.000 0.998 605 G CA 0.046 45.182 45.100 0.061 0.000 0.621 605 G HN 1.074 nan 8.290 nan 0.000 0.524 606 G N -0.719 108.123 108.800 0.070 0.000 2.537 606 G HA2 0.878 4.838 3.960 -0.001 0.000 0.297 606 G HA3 0.878 4.838 3.960 -0.001 0.000 0.297 606 G C -0.562 174.424 174.900 0.143 0.000 1.310 606 G CA -0.208 44.901 45.100 0.016 0.000 1.027 606 G HN 1.706 nan 8.290 nan 0.000 0.505 607 Y N -3.523 116.682 120.300 -0.158 0.000 2.598 607 Y HA 0.537 5.087 4.550 -0.001 0.000 0.333 607 Y C -1.571 174.236 175.900 -0.157 0.000 1.196 607 Y CA -2.225 55.805 58.100 -0.116 0.000 1.145 607 Y CB 0.182 38.621 38.460 -0.034 0.000 1.349 607 Y HN 0.441 nan 8.280 nan 0.000 0.469 608 F N 2.941 122.933 119.950 0.070 0.000 2.418 608 F HA 0.547 5.074 4.527 -0.001 0.000 0.341 608 F C 0.336 176.190 175.800 0.089 0.000 1.120 608 F CA -0.282 57.719 58.000 0.002 0.000 1.232 608 F CB 0.848 39.846 39.000 -0.002 0.000 1.175 608 F HN 0.426 nan 8.300 nan 0.000 0.569 609 I N 3.864 124.591 120.570 0.263 0.000 2.405 609 I HA 0.218 4.388 4.170 -0.001 0.000 0.280 609 I C -1.087 175.171 176.117 0.235 0.000 1.027 609 I CA -0.603 60.843 61.300 0.243 0.000 1.161 609 I CB 1.080 39.200 38.000 0.198 0.000 1.300 609 I HN 0.126 nan 8.210 nan 0.000 0.463 610 V N 5.452 125.462 119.914 0.159 0.000 2.368 610 V HA 0.351 4.470 4.120 -0.001 0.000 0.266 610 V C -0.089 176.076 176.094 0.118 0.000 1.045 610 V CA -0.162 62.184 62.300 0.076 0.000 0.899 610 V CB 0.969 32.793 31.823 0.001 0.000 1.006 610 V HN 0.643 nan 8.190 nan 0.000 0.470 611 E N 4.262 124.569 120.200 0.178 0.000 2.334 611 E HA 0.403 4.752 4.350 -0.001 0.000 0.280 611 E C -0.423 176.295 176.600 0.196 0.000 0.899 611 E CA -0.507 55.999 56.400 0.176 0.000 0.813 611 E CB 1.550 31.343 29.700 0.154 0.000 1.318 611 E HN 0.312 nan 8.360 nan 0.000 0.399 612 L N 2.440 123.715 121.223 0.087 0.000 2.341 612 L HA 0.243 4.583 4.340 -0.001 0.000 0.214 612 L C 0.462 177.358 176.870 0.045 0.000 1.115 612 L CA 0.692 55.564 54.840 0.054 0.000 0.820 612 L CB -0.152 41.920 42.059 0.022 0.000 0.944 612 L HN 0.548 nan 8.230 nan 0.000 0.452 613 D N 0.267 120.690 120.400 0.038 0.000 2.339 613 D HA 0.102 4.742 4.640 -0.001 0.000 0.241 613 D C -1.466 174.834 176.300 -0.000 0.000 1.183 613 D CA -1.823 52.187 54.000 0.016 0.000 0.859 613 D CB 1.308 42.115 40.800 0.010 0.000 1.067 613 D HN -0.064 nan 8.370 nan 0.000 0.484 614 P HA -0.148 nan 4.420 nan 0.000 0.217 614 P C 0.748 178.022 177.300 -0.044 0.000 1.150 614 P CA 1.043 64.122 63.100 -0.034 0.000 0.832 614 P CB 0.363 32.043 31.700 -0.034 0.000 0.787 615 E N -0.336 119.850 120.200 -0.023 0.000 2.077 615 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 615 E C 2.035 178.620 176.600 -0.026 0.000 0.989 615 E CA 1.700 58.090 56.400 -0.016 0.000 0.800 615 E CB -0.723 28.975 29.700 -0.004 0.000 0.746 615 E HN 0.253 nan 8.360 nan 0.000 0.452 616 T N 0.895 115.433 114.554 -0.026 0.000 2.777 616 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 616 T C 2.017 176.678 174.700 -0.065 0.000 1.040 616 T CA 1.101 63.185 62.100 -0.027 0.000 1.141 616 T CB -0.244 68.619 68.868 -0.009 0.000 0.868 616 T HN 0.255 nan 8.240 nan 0.000 0.444 617 A N 1.673 124.418 122.820 -0.124 0.000 1.908 617 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 617 A C 2.672 180.097 177.584 -0.264 0.000 1.181 617 A CA 1.976 53.824 52.037 -0.315 0.000 0.627 617 A CB -1.211 17.415 19.000 -0.623 0.000 0.818 617 A HN 0.514 nan 8.150 nan 0.000 0.445 618 A N 0.014 122.744 122.820 -0.150 0.000 1.883 618 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 618 A C 1.795 179.350 177.584 -0.049 0.000 1.186 618 A CA 2.011 54.005 52.037 -0.071 0.000 0.624 618 A CB -0.688 18.303 19.000 -0.014 0.000 0.822 618 A HN 0.474 nan 8.150 nan 0.000 0.444 619 D N -0.285 120.093 120.400 -0.037 0.000 2.123 619 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 619 D C 1.947 178.233 176.300 -0.022 0.000 0.992 619 D CA 1.455 55.446 54.000 -0.014 0.000 0.833 619 D CB -0.266 40.532 40.800 -0.003 0.000 0.954 619 D HN 0.520 nan 8.370 nan 0.000 0.455 620 K N 0.051 120.428 120.400 -0.040 0.000 2.097 620 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 620 K C 2.307 178.887 176.600 -0.032 0.000 1.050 620 K CA 0.462 56.735 56.287 -0.024 0.000 0.938 620 K CB -0.067 32.425 32.500 -0.013 0.000 0.718 620 K HN 0.125 nan 8.250 nan 0.000 0.442 621 L N 0.788 121.967 121.223 -0.074 0.000 2.056 621 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 621 L C 2.248 179.083 176.870 -0.058 0.000 1.078 621 L CA 0.960 55.752 54.840 -0.081 0.000 0.749 621 L CB -0.326 41.661 42.059 -0.119 0.000 0.901 621 L HN 0.148 nan 8.230 nan 0.000 0.433 622 L N -0.565 120.635 121.223 -0.038 0.000 2.046 622 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 622 L C 2.858 179.705 176.870 -0.037 0.000 1.077 622 L CA 1.185 56.014 54.840 -0.017 0.000 0.747 622 L CB -0.697 41.371 42.059 0.014 0.000 0.896 622 L HN 0.243 nan 8.230 nan 0.000 0.432 623 A N -0.041 122.753 122.820 -0.043 0.000 1.902 623 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 623 A C 2.533 180.052 177.584 -0.107 0.000 1.181 623 A CA 1.797 53.782 52.037 -0.087 0.000 0.623 623 A CB -0.764 18.205 19.000 -0.051 0.000 0.818 623 A HN 0.407 nan 8.150 nan 0.000 0.443 624 A N -0.072 122.723 122.820 -0.041 0.000 1.877 624 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 624 A C 2.143 179.692 177.584 -0.059 0.000 1.186 624 A CA 1.584 53.619 52.037 -0.003 0.000 0.620 624 A CB -0.636 18.373 19.000 0.015 0.000 0.822 624 A HN 0.499 nan 8.150 nan 0.000 0.443 625 I N 0.106 120.633 120.570 -0.072 0.000 2.163 625 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 625 I C 2.074 178.129 176.117 -0.104 0.000 1.085 625 I CA 1.378 62.637 61.300 -0.069 0.000 1.347 625 I CB -0.424 37.549 38.000 -0.044 0.000 1.044 625 I HN 0.321 nan 8.210 nan 0.000 0.408 626 N N 0.629 119.228 118.700 -0.167 0.000 2.244 626 N HA -0.158 4.581 4.740 -0.001 0.000 0.183 626 N C 1.697 176.866 175.510 -0.569 0.000 1.016 626 N CA 1.098 53.943 53.050 -0.343 0.000 0.866 626 N CB -0.233 37.997 38.487 -0.428 0.000 0.980 626 N HN 0.447 nan 8.380 nan 0.000 0.430 627 E N 0.508 120.455 120.200 -0.421 0.000 2.077 627 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 627 E C 1.961 178.442 176.600 -0.199 0.000 0.989 627 E CA 0.746 56.949 56.400 -0.329 0.000 0.800 627 E CB 0.115 29.699 29.700 -0.194 0.000 0.746 627 E HN 0.194 nan 8.360 nan 0.000 0.452 628 R N 0.728 121.151 120.500 -0.128 0.000 2.081 628 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 628 R C 2.249 178.516 176.300 -0.055 0.000 1.131 628 R CA 1.078 57.139 56.100 -0.066 0.000 0.960 628 R CB -0.512 29.763 30.300 -0.041 0.000 0.856 628 R HN 0.213 nan 8.270 nan 0.000 0.436 629 R N 0.395 120.855 120.500 -0.067 0.000 2.083 629 R HA -0.101 4.239 4.340 -0.001 0.000 0.237 629 R C 2.341 178.661 176.300 0.033 0.000 1.137 629 R CA 1.638 57.742 56.100 0.007 0.000 0.951 629 R CB -0.545 29.798 30.300 0.072 0.000 0.851 629 R HN 0.214 nan 8.270 nan 0.000 0.434 630 A N 0.855 123.639 122.820 -0.060 0.000 1.908 630 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 630 A C 2.432 180.033 177.584 0.028 0.000 1.181 630 A CA 1.828 53.882 52.037 0.028 0.000 0.627 630 A CB -1.202 17.733 19.000 -0.108 0.000 0.818 630 A HN 0.499 nan 8.150 nan 0.000 0.445 631 G N -0.443 108.346 108.800 -0.018 0.000 2.450 631 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.220 631 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.220 631 G C 1.304 176.213 174.900 0.014 0.000 1.130 631 G CA 0.975 46.072 45.100 -0.004 0.000 0.760 631 G HN 0.464 nan 8.290 nan 0.000 0.557 632 L N 0.411 121.646 121.223 0.022 0.000 2.612 632 L HA 0.269 4.609 4.340 -0.001 0.000 0.230 632 L C 1.896 178.792 176.870 0.044 0.000 1.140 632 L CA 0.303 55.160 54.840 0.029 0.000 0.896 632 L CB -0.038 42.037 42.059 0.027 0.000 1.065 632 L HN 0.343 nan 8.230 nan 0.000 0.447 633 G N 0.760 109.595 108.800 0.059 0.000 2.160 633 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.251 633 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.251 633 G C 0.057 175.008 174.900 0.086 0.000 1.008 633 G CA -0.022 45.120 45.100 0.070 0.000 0.724 633 G HN 0.259 nan 8.290 nan 0.000 0.514 634 L N 0.287 121.578 121.223 0.114 0.000 2.334 634 L HA 0.514 4.854 4.340 -0.001 0.000 0.275 634 L C -1.717 175.272 176.870 0.198 0.000 1.036 634 L CA -2.453 52.460 54.840 0.123 0.000 0.807 634 L CB 1.351 43.475 42.059 0.107 0.000 1.231 634 L HN -0.121 nan 8.230 nan 0.000 0.438 635 P HA 0.068 nan 4.420 nan 0.000 0.269 635 P C -1.198 176.199 177.300 0.161 0.000 1.215 635 P CA -0.149 62.982 63.100 0.051 0.000 0.780 635 P CB 0.442 32.129 31.700 -0.022 0.000 0.898 636 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 57.349 57.345 0.006 0.000 1.226 636 W CB 0.000 29.464 29.460 0.007 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535