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 1zzd_1_A DATA FIRST_RESID 91 DATA SEQUENCE TKQFSKVVED LYRYVNAATG KPAPMISDDV YNIVMENKDK LNSAIVYDRD DATA SEQUENCE FQYSYFGFKT LERSYLLRIN GQVAERPQHL IMRVALGIHG RDIEAALETY DATA SEQUENCE NLMSLKYFTH ASPTLFNAGT PKPQMSScFL VAMKEDSIEG IYDTLKECAL DATA SEQUENCE ISKTAGGIGL HIHNIRSTGS YIAGTNGTSN GLIPMIRVFN NTARYVXXXX DATA SEQUENCE XXXXXAFALY LEPWHADIFD FIDIRKNHGK EEIRARDLFP ALWIPDLFMK DATA SEQUENCE RVEENGTWTL FSPTSAPGLS DCYGDEFEAL YTRYEKEGRG KTIKAQKLWY DATA SEQUENCE SILEAQTETG TPFVVYKDAC NRKSNQKNLG VIKSSNLCCE IVEYSAPDET DATA SEQUENCE AVcNLASVAL PAFIETSEDG KTSTYNFKKL HEIAKVVTRN LNRVIDRNYY DATA SEQUENCE PVEEARKSNM RHRPIALGVQ GLADTFMLLR LPFDSEEARL LNIQIFETIY DATA SEQUENCE HASMEASCEL AQKDGPYETF QGSPASQGIL QFDMWDQKPY GMWDWDTLRK DATA SEQUENCE DIMKHGVRNS LTMAPMPTAS TSQILGYNEC FEPVTSNMYS XXXXXXXFQV DATA SEQUENCE VNPYLLRDLV DLGIWDEGMK QYLITQNGSI QGLPNVPQEL KDLYKTVWEI DATA SEQUENCE SQKTIINMAA DRSVYIDQSH SLNLFLRAPT MGKLTSMHFY GWKKGLKTGM DATA SEQUENCE YYLRTQ 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 91 T HA 0.000 nan 4.350 nan 0.000 0.228 91 T C 0.000 174.700 174.700 0.001 0.000 1.109 91 T CA 0.000 62.096 62.100 -0.008 0.000 1.349 91 T CB 0.000 68.871 68.868 0.005 0.000 0.612 92 K N 2.669 123.084 120.400 0.025 0.000 4.082 92 K HA -0.223 4.098 4.320 0.002 0.000 0.273 92 K C -0.286 176.325 176.600 0.018 0.000 0.774 92 K CA 1.445 57.738 56.287 0.009 0.000 0.637 92 K CB -0.961 31.509 32.500 -0.051 0.000 1.857 92 K HN 0.726 nan 8.250 nan 0.000 0.421 93 Q N 0.551 120.398 119.800 0.079 0.000 2.795 93 Q HA 0.109 4.450 4.340 0.002 0.000 0.225 93 Q C -0.221 175.837 176.000 0.097 0.000 0.967 93 Q CA -0.529 55.364 55.803 0.150 0.000 1.105 93 Q CB -0.179 28.605 28.738 0.078 0.000 1.759 93 Q HN 0.093 nan 8.270 nan 0.000 0.514 94 F N 2.950 122.955 119.950 0.092 0.000 2.065 94 F HA -0.229 4.299 4.527 0.002 0.000 0.298 94 F C 1.943 177.703 175.800 -0.067 0.000 1.112 94 F CA 2.894 60.885 58.000 -0.015 0.000 1.212 94 F CB -0.142 38.941 39.000 0.139 0.000 0.975 94 F HN 0.707 nan 8.300 nan 0.000 0.476 95 S N -0.406 115.229 115.700 -0.108 0.000 2.383 95 S HA -0.254 4.217 4.470 0.002 0.000 0.229 95 S C 2.010 176.507 174.600 -0.171 0.000 1.030 95 S CA 1.350 59.424 58.200 -0.211 0.000 1.002 95 S CB -0.609 62.541 63.200 -0.084 0.000 0.829 95 S HN 0.327 nan 8.310 nan 0.000 0.467 96 K N 1.696 122.033 120.400 -0.104 0.000 2.097 96 K HA 0.111 4.432 4.320 0.002 0.000 0.205 96 K C 1.907 178.443 176.600 -0.107 0.000 1.050 96 K CA 1.276 57.521 56.287 -0.070 0.000 0.938 96 K CB -1.074 31.406 32.500 -0.033 0.000 0.718 96 K HN 0.316 nan 8.250 nan 0.000 0.442 97 V N 0.017 119.806 119.914 -0.209 0.000 2.343 97 V HA -0.209 3.912 4.120 0.002 0.000 0.247 97 V C 2.276 178.249 176.094 -0.201 0.000 1.051 97 V CA 1.635 63.794 62.300 -0.235 0.000 1.036 97 V CB -0.348 31.213 31.823 -0.436 0.000 0.654 97 V HN 0.085 nan 8.190 nan 0.000 0.451 98 V N -0.207 119.514 119.914 -0.322 0.000 2.343 98 V HA -0.253 3.868 4.120 0.002 0.000 0.247 98 V C 2.560 178.690 176.094 0.060 0.000 1.051 98 V CA 2.161 64.335 62.300 -0.210 0.000 1.036 98 V CB -0.589 30.980 31.823 -0.423 0.000 0.654 98 V HN 0.562 nan 8.190 nan 0.000 0.451 99 E N 0.785 121.037 120.200 0.086 0.000 2.048 99 E HA -0.253 4.098 4.350 0.002 0.000 0.202 99 E C 1.840 178.521 176.600 0.135 0.000 1.021 99 E CA 2.066 58.585 56.400 0.199 0.000 0.825 99 E CB -0.487 29.286 29.700 0.122 0.000 0.756 99 E HN 0.613 nan 8.360 nan 0.000 0.454 100 D N -0.240 120.199 120.400 0.065 0.000 2.103 100 D HA -0.180 4.461 4.640 0.002 0.000 0.190 100 D C 2.172 178.522 176.300 0.084 0.000 0.997 100 D CA 1.412 55.448 54.000 0.060 0.000 0.833 100 D CB -0.489 40.328 40.800 0.029 0.000 0.961 100 D HN 0.233 nan 8.370 nan 0.000 0.447 101 L N -0.505 120.753 121.223 0.059 0.000 2.046 101 L HA -0.208 4.133 4.340 0.002 0.000 0.208 101 L C 2.505 179.440 176.870 0.108 0.000 1.077 101 L CA 1.015 55.887 54.840 0.054 0.000 0.747 101 L CB -0.569 41.505 42.059 0.024 0.000 0.896 101 L HN 0.048 nan 8.230 nan 0.000 0.432 102 Y N 0.934 121.215 120.300 -0.031 0.000 2.165 102 Y HA -0.198 4.353 4.550 0.002 0.000 0.286 102 Y C 2.606 178.433 175.900 -0.121 0.000 1.155 102 Y CA 1.511 59.541 58.100 -0.117 0.000 1.164 102 Y CB -0.023 38.267 38.460 -0.283 0.000 0.978 102 Y HN 0.002 nan 8.280 nan 0.000 0.513 103 R N -0.886 119.579 120.500 -0.058 0.000 2.276 103 R HA -0.061 4.280 4.340 0.002 0.000 0.196 103 R C -0.029 176.216 176.300 -0.091 0.000 0.961 103 R CA -0.111 55.906 56.100 -0.139 0.000 1.024 103 R CB -1.291 28.980 30.300 -0.048 0.000 0.940 103 R HN 0.357 nan 8.270 nan 0.000 0.480 104 Y N 1.234 121.460 120.300 -0.123 0.000 2.987 104 Y HA -0.109 4.442 4.550 0.002 0.000 0.339 104 Y C -0.222 175.613 175.900 -0.107 0.000 1.272 104 Y CA 0.377 58.421 58.100 -0.092 0.000 1.562 104 Y CB 0.503 38.922 38.460 -0.069 0.000 1.253 104 Y HN -0.298 nan 8.280 nan 0.000 0.604 105 V N 7.351 126.720 119.914 -0.908 0.000 2.588 105 V HA 0.129 4.250 4.120 0.002 0.000 0.304 105 V C -0.228 175.251 176.094 -1.025 0.000 1.042 105 V CA -1.487 60.380 62.300 -0.721 0.000 0.877 105 V CB 1.731 33.326 31.823 -0.381 0.000 0.996 105 V HN 0.864 nan 8.190 nan 0.000 0.425 106 N N 3.375 121.713 118.700 -0.603 0.000 2.406 106 N HA 0.071 4.812 4.740 0.002 0.000 0.274 106 N C 1.197 176.577 175.510 -0.216 0.000 1.249 106 N CA 0.463 53.329 53.050 -0.307 0.000 0.951 106 N CB 1.466 39.915 38.487 -0.063 0.000 1.241 106 N HN 0.863 nan 8.380 nan 0.000 0.485 107 A N 4.407 127.110 122.820 -0.196 0.000 1.883 107 A HA -0.160 4.161 4.320 0.002 0.000 0.217 107 A C 2.030 179.570 177.584 -0.073 0.000 1.186 107 A CA 1.807 53.771 52.037 -0.122 0.000 0.624 107 A CB -0.701 18.249 19.000 -0.083 0.000 0.822 107 A HN 0.775 nan 8.150 nan 0.000 0.444 108 A N -2.412 120.381 122.820 -0.046 0.000 2.248 108 A HA 0.165 4.486 4.320 0.002 0.000 0.210 108 A C 1.723 179.286 177.584 -0.034 0.000 1.174 108 A CA 1.955 53.974 52.037 -0.030 0.000 0.750 108 A CB -0.513 18.480 19.000 -0.013 0.000 0.780 108 A HN 0.470 nan 8.150 nan 0.000 0.478 109 T N -3.721 110.803 114.554 -0.049 0.000 3.123 109 T HA 0.363 4.714 4.350 0.002 0.000 0.266 109 T C 1.143 175.808 174.700 -0.058 0.000 0.873 109 T CA 1.038 63.110 62.100 -0.046 0.000 0.854 109 T CB -0.087 68.757 68.868 -0.039 0.000 1.254 109 T HN 1.460 nan 8.240 nan 0.000 0.570 110 G N 2.507 111.260 108.800 -0.079 0.000 2.155 110 G HA2 -0.249 3.712 3.960 0.002 0.000 0.257 110 G HA3 -0.249 3.712 3.960 0.002 0.000 0.257 110 G C -0.121 174.723 174.900 -0.094 0.000 0.983 110 G CA 0.591 45.638 45.100 -0.087 0.000 0.676 110 G HN 0.556 nan 8.290 nan 0.000 0.528 111 K N 1.225 121.568 120.400 -0.096 0.000 2.234 111 K HA 0.452 4.773 4.320 0.002 0.000 0.282 111 K C -2.545 173.976 176.600 -0.131 0.000 1.039 111 K CA -1.908 54.323 56.287 -0.094 0.000 0.928 111 K CB 1.367 33.827 32.500 -0.066 0.000 1.039 111 K HN 0.019 nan 8.250 nan 0.000 0.470 112 P HA 0.009 nan 4.420 nan 0.000 0.271 112 P C -1.026 176.203 177.300 -0.118 0.000 1.226 112 P CA -0.152 62.852 63.100 -0.159 0.000 0.765 112 P CB 0.847 32.453 31.700 -0.157 0.000 0.835 113 A N 5.566 128.338 122.820 -0.080 0.000 3.204 113 A HA 0.416 4.737 4.320 0.002 0.000 0.327 113 A C -2.330 175.303 177.584 0.081 0.000 0.998 113 A CA -1.489 50.574 52.037 0.044 0.000 0.891 113 A CB 0.018 19.132 19.000 0.191 0.000 1.061 113 A HN 0.326 nan 8.150 nan 0.000 0.478 114 P HA 0.058 nan 4.420 nan 0.000 0.263 114 P C 0.253 177.545 177.300 -0.014 0.000 1.195 114 P CA 0.376 63.404 63.100 -0.120 0.000 0.762 114 P CB 0.708 32.232 31.700 -0.293 0.000 0.799 115 M N 2.332 121.946 119.600 0.024 0.000 2.371 115 M HA 0.173 4.654 4.480 0.002 0.000 0.246 115 M C 0.236 176.580 176.300 0.074 0.000 1.103 115 M CA 0.229 55.541 55.300 0.019 0.000 1.010 115 M CB 0.374 32.952 32.600 -0.037 0.000 1.457 115 M HN 0.212 nan 8.290 nan 0.000 0.486 116 I N 0.134 120.805 120.570 0.168 0.000 2.530 116 I HA 0.277 4.448 4.170 0.002 0.000 0.297 116 I C 0.586 176.857 176.117 0.256 0.000 1.011 116 I CA -0.781 60.643 61.300 0.208 0.000 1.107 116 I CB 1.729 39.871 38.000 0.236 0.000 1.285 116 I HN 0.096 nan 8.210 nan 0.000 0.436 117 S N 3.275 119.074 115.700 0.166 0.000 2.573 117 S HA 0.069 4.540 4.470 0.002 0.000 0.277 117 S C 0.739 175.463 174.600 0.206 0.000 1.346 117 S CA -0.412 57.885 58.200 0.162 0.000 1.034 117 S CB 0.958 64.215 63.200 0.095 0.000 0.879 117 S HN 0.536 nan 8.310 nan 0.000 0.528 118 D N 1.393 121.928 120.400 0.225 0.000 2.106 118 D HA -0.167 4.474 4.640 0.002 0.000 0.191 118 D C 1.475 177.838 176.300 0.105 0.000 0.997 118 D CA 2.018 56.135 54.000 0.195 0.000 0.834 118 D CB -0.713 40.188 40.800 0.167 0.000 0.956 118 D HN 0.879 nan 8.370 nan 0.000 0.448 119 D N -0.018 120.435 120.400 0.089 0.000 2.137 119 D HA -0.159 4.482 4.640 0.002 0.000 0.189 119 D C 2.008 178.331 176.300 0.039 0.000 0.998 119 D CA 1.516 55.552 54.000 0.060 0.000 0.839 119 D CB -0.114 40.723 40.800 0.062 0.000 0.962 119 D HN 0.005 nan 8.370 nan 0.000 0.446 120 V N -0.319 119.624 119.914 0.049 0.000 2.427 120 V HA -0.187 3.934 4.120 0.002 0.000 0.248 120 V C 1.994 178.076 176.094 -0.019 0.000 1.051 120 V CA 1.625 63.946 62.300 0.035 0.000 1.048 120 V CB -0.831 31.033 31.823 0.068 0.000 0.666 120 V HN 0.334 nan 8.190 nan 0.000 0.456 121 Y N 2.298 122.470 120.300 -0.213 0.000 2.040 121 Y HA -0.321 4.230 4.550 0.002 0.000 0.275 121 Y C 2.552 178.281 175.900 -0.284 0.000 1.171 121 Y CA 2.287 60.127 58.100 -0.433 0.000 1.123 121 Y CB -0.525 37.286 38.460 -1.081 0.000 0.963 121 Y HN 0.311 nan 8.280 nan 0.000 0.493 122 N N 0.494 119.075 118.700 -0.198 0.000 2.104 122 N HA -0.212 4.529 4.740 0.002 0.000 0.190 122 N C 2.022 177.412 175.510 -0.201 0.000 1.024 122 N CA 1.975 54.902 53.050 -0.205 0.000 0.853 122 N CB -0.548 37.914 38.487 -0.040 0.000 1.008 122 N HN 0.485 nan 8.380 nan 0.000 0.424 123 I N 0.571 121.067 120.570 -0.123 0.000 2.179 123 I HA -0.221 3.950 4.170 0.002 0.000 0.242 123 I C 2.043 178.099 176.117 -0.103 0.000 1.088 123 I CA 0.792 62.046 61.300 -0.076 0.000 1.357 123 I CB -0.240 37.751 38.000 -0.015 0.000 1.051 123 I HN -0.089 nan 8.210 nan 0.000 0.409 124 V N 0.213 120.039 119.914 -0.147 0.000 2.407 124 V HA -0.292 3.829 4.120 0.002 0.000 0.248 124 V C 2.500 178.474 176.094 -0.200 0.000 1.055 124 V CA 1.480 63.709 62.300 -0.119 0.000 1.049 124 V CB -0.567 31.153 31.823 -0.172 0.000 0.662 124 V HN 0.364 nan 8.190 nan 0.000 0.455 125 M N -0.249 119.131 119.600 -0.366 0.000 2.099 125 M HA -0.115 4.366 4.480 0.002 0.000 0.262 125 M C 2.101 178.291 176.300 -0.183 0.000 1.067 125 M CA 1.476 56.568 55.300 -0.347 0.000 1.124 125 M CB -1.285 30.993 32.600 -0.537 0.000 1.353 125 M HN 0.349 nan 8.290 nan 0.000 0.410 126 E N 0.140 120.249 120.200 -0.152 0.000 2.472 126 E HA -0.126 4.225 4.350 0.002 0.000 0.200 126 E C -0.000 176.563 176.600 -0.061 0.000 1.046 126 E CA 0.577 56.925 56.400 -0.086 0.000 0.871 126 E CB -0.097 29.563 29.700 -0.066 0.000 0.806 126 E HN 0.531 nan 8.360 nan 0.000 0.533 127 N N -0.986 117.677 118.700 -0.061 0.000 2.475 127 N HA 0.005 4.746 4.740 0.002 0.000 0.272 127 N C 0.308 175.804 175.510 -0.022 0.000 1.482 127 N CA -0.121 52.908 53.050 -0.035 0.000 0.863 127 N CB 0.635 39.107 38.487 -0.025 0.000 1.400 127 N HN 0.035 nan 8.380 nan 0.000 0.489 128 K N -0.050 120.330 120.400 -0.033 0.000 2.103 128 K HA -0.140 4.181 4.320 0.002 0.000 0.207 128 K C 0.513 177.120 176.600 0.013 0.000 1.048 128 K CA 1.291 57.572 56.287 -0.009 0.000 0.930 128 K CB 0.084 32.564 32.500 -0.034 0.000 0.716 128 K HN 0.097 nan 8.250 nan 0.000 0.444 129 D N 1.440 121.839 120.400 -0.002 0.000 2.077 129 D HA -0.139 4.502 4.640 0.002 0.000 0.196 129 D C 1.948 178.244 176.300 -0.007 0.000 0.986 129 D CA 1.357 55.357 54.000 0.001 0.000 0.829 129 D CB -0.054 40.743 40.800 -0.005 0.000 0.983 129 D HN 0.172 nan 8.370 nan 0.000 0.453 130 K N 0.564 120.952 120.400 -0.020 0.000 2.020 130 K HA -0.168 4.153 4.320 0.002 0.000 0.212 130 K C 2.100 178.662 176.600 -0.064 0.000 1.050 130 K CA 0.824 57.088 56.287 -0.038 0.000 0.929 130 K CB -0.408 32.070 32.500 -0.037 0.000 0.714 130 K HN -0.050 nan 8.250 nan 0.000 0.443 131 L N 1.651 122.845 121.223 -0.049 0.000 1.989 131 L HA -0.185 4.156 4.340 0.002 0.000 0.211 131 L C 1.997 178.816 176.870 -0.084 0.000 1.071 131 L CA 1.750 56.544 54.840 -0.078 0.000 0.749 131 L CB -1.406 40.676 42.059 0.038 0.000 0.890 131 L HN 0.351 nan 8.230 nan 0.000 0.431 132 N N -0.461 118.256 118.700 0.028 0.000 2.120 132 N HA -0.139 4.602 4.740 0.002 0.000 0.188 132 N C 1.799 177.317 175.510 0.013 0.000 1.024 132 N CA 1.692 54.787 53.050 0.075 0.000 0.852 132 N CB -0.091 38.463 38.487 0.112 0.000 1.003 132 N HN 0.465 nan 8.380 nan 0.000 0.424 133 S N -0.431 115.257 115.700 -0.021 0.000 2.558 133 S HA 0.284 4.755 4.470 0.002 0.000 0.217 133 S C 1.779 176.328 174.600 -0.086 0.000 0.975 133 S CA 0.288 58.473 58.200 -0.024 0.000 0.912 133 S CB 0.332 63.527 63.200 -0.008 0.000 0.776 133 S HN 0.290 nan 8.310 nan 0.000 0.526 134 A N 1.518 124.238 122.820 -0.167 0.000 2.021 134 A HA 0.392 4.713 4.320 0.002 0.000 0.216 134 A C 0.925 178.295 177.584 -0.357 0.000 1.163 134 A CA 0.043 51.942 52.037 -0.230 0.000 0.676 134 A CB -0.499 18.335 19.000 -0.276 0.000 0.818 134 A HN 0.579 nan 8.150 nan 0.000 0.453 135 I N 1.610 121.887 120.570 -0.489 0.000 2.587 135 I HA 0.023 4.194 4.170 0.002 0.000 0.284 135 I C -0.667 175.190 176.117 -0.432 0.000 1.134 135 I CA 0.004 60.911 61.300 -0.656 0.000 1.410 135 I CB 1.158 38.665 38.000 -0.821 0.000 1.392 135 I HN -0.077 nan 8.210 nan 0.000 0.545 136 V N 8.231 128.009 119.914 -0.226 0.000 2.288 136 V HA 0.065 4.186 4.120 0.002 0.000 0.266 136 V C 0.331 176.275 176.094 -0.251 0.000 1.048 136 V CA -0.315 61.886 62.300 -0.164 0.000 0.842 136 V CB 0.019 31.800 31.823 -0.069 0.000 1.064 136 V HN 0.613 nan 8.190 nan 0.000 0.472 137 Y N 0.761 121.011 120.300 -0.083 0.000 2.421 137 Y HA -0.138 4.413 4.550 0.002 0.000 0.292 137 Y C 2.086 177.787 175.900 -0.332 0.000 1.136 137 Y CA 0.926 58.936 58.100 -0.151 0.000 1.255 137 Y CB -0.145 38.269 38.460 -0.078 0.000 0.991 137 Y HN 0.532 nan 8.280 nan 0.000 0.552 138 D N 0.285 120.573 120.400 -0.187 0.000 2.239 138 D HA -0.175 4.466 4.640 0.002 0.000 0.202 138 D C 1.690 177.616 176.300 -0.624 0.000 0.993 138 D CA 1.206 54.956 54.000 -0.417 0.000 0.874 138 D CB -0.123 40.581 40.800 -0.161 0.000 0.922 138 D HN 0.286 nan 8.370 nan 0.000 0.464 139 R N 0.034 120.278 120.500 -0.427 0.000 2.323 139 R HA -0.008 4.333 4.340 0.002 0.000 0.198 139 R C 0.993 177.024 176.300 -0.448 0.000 0.988 139 R CA 0.310 56.161 56.100 -0.415 0.000 1.041 139 R CB 0.234 30.335 30.300 -0.332 0.000 0.926 139 R HN 0.150 nan 8.270 nan 0.000 0.476 140 D N 0.623 120.734 120.400 -0.480 0.000 2.123 140 D HA -0.110 4.531 4.640 0.002 0.000 0.200 140 D C 0.434 176.593 176.300 -0.235 0.000 0.976 140 D CA 1.029 54.879 54.000 -0.251 0.000 0.831 140 D CB -0.002 40.697 40.800 -0.168 0.000 0.974 140 D HN 0.216 nan 8.370 nan 0.000 0.469 141 F N 0.568 120.446 119.950 -0.119 0.000 2.733 141 F HA 0.392 4.920 4.527 0.002 0.000 0.344 141 F C 1.340 177.033 175.800 -0.178 0.000 1.179 141 F CA -0.271 57.644 58.000 -0.142 0.000 1.316 141 F CB -0.295 38.632 39.000 -0.122 0.000 1.577 141 F HN -0.224 nan 8.300 nan 0.000 0.591 142 Q N -0.370 119.286 119.800 -0.240 0.000 2.126 142 Q HA 0.184 4.525 4.340 0.002 0.000 0.233 142 Q C -0.680 175.060 176.000 -0.434 0.000 0.788 142 Q CA -0.062 55.521 55.803 -0.366 0.000 0.968 142 Q CB 0.768 29.178 28.738 -0.546 0.000 1.163 142 Q HN 0.573 nan 8.270 nan 0.000 0.471 143 Y N 0.759 120.975 120.300 -0.140 0.000 2.352 143 Y HA 0.209 4.760 4.550 0.002 0.000 0.326 143 Y C 1.036 176.867 175.900 -0.116 0.000 1.166 143 Y CA -0.776 57.232 58.100 -0.152 0.000 1.182 143 Y CB 1.168 39.583 38.460 -0.075 0.000 1.216 143 Y HN -0.043 nan 8.280 nan 0.000 0.474 144 S N 1.248 116.922 115.700 -0.044 0.000 2.606 144 S HA -0.057 4.414 4.470 0.002 0.000 0.257 144 S C 0.863 175.496 174.600 0.055 0.000 1.327 144 S CA -0.436 57.718 58.200 -0.076 0.000 0.984 144 S CB 0.282 63.305 63.200 -0.296 0.000 0.941 144 S HN 0.748 nan 8.310 nan 0.000 0.576 145 Y N 1.847 122.161 120.300 0.023 0.000 2.049 145 Y HA -0.178 4.373 4.550 0.002 0.000 0.277 145 Y C 1.930 177.928 175.900 0.163 0.000 1.143 145 Y CA 2.125 60.309 58.100 0.140 0.000 1.115 145 Y CB -1.010 37.522 38.460 0.120 0.000 0.975 145 Y HN 0.765 nan 8.280 nan 0.000 0.487 146 F N -0.407 119.498 119.950 -0.075 0.000 2.604 146 F HA 0.228 4.756 4.527 0.002 0.000 0.298 146 F C 1.969 177.688 175.800 -0.135 0.000 1.131 146 F CA 0.721 58.614 58.000 -0.177 0.000 1.457 146 F CB -1.126 37.840 39.000 -0.056 0.000 1.095 146 F HN 0.006 nan 8.300 nan 0.000 0.574 147 G N 0.714 109.175 108.800 -0.564 0.000 2.404 147 G HA2 -0.216 3.745 3.960 0.002 0.000 0.213 147 G HA3 -0.216 3.745 3.960 0.002 0.000 0.213 147 G C 1.484 176.229 174.900 -0.258 0.000 1.189 147 G CA 0.708 45.550 45.100 -0.431 0.000 0.796 147 G HN 0.452 nan 8.290 nan 0.000 0.532 148 F N 1.870 121.653 119.950 -0.279 0.000 2.134 148 F HA 0.050 4.578 4.527 0.002 0.000 0.299 148 F C 2.310 177.972 175.800 -0.229 0.000 1.097 148 F CA 1.483 59.316 58.000 -0.277 0.000 1.264 148 F CB 0.073 39.017 39.000 -0.094 0.000 1.001 148 F HN -0.075 nan 8.300 nan 0.000 0.479 149 K N 0.205 120.292 120.400 -0.521 0.000 2.515 149 K HA -0.034 4.287 4.320 0.002 0.000 0.196 149 K C 1.751 178.161 176.600 -0.317 0.000 1.038 149 K CA 1.279 57.240 56.287 -0.543 0.000 0.967 149 K CB -0.675 31.533 32.500 -0.488 0.000 0.780 149 K HN 0.376 nan 8.250 nan 0.000 0.483 150 T N 1.272 115.681 114.554 -0.242 0.000 2.978 150 T HA 0.064 4.415 4.350 0.002 0.000 0.262 150 T C 2.036 176.704 174.700 -0.052 0.000 1.063 150 T CA 0.349 62.389 62.100 -0.100 0.000 1.140 150 T CB 0.064 68.884 68.868 -0.080 0.000 0.886 150 T HN 0.074 nan 8.240 nan 0.000 0.470 151 L N 0.737 121.821 121.223 -0.232 0.000 2.005 151 L HA -0.049 4.292 4.340 0.002 0.000 0.207 151 L C 2.858 179.669 176.870 -0.098 0.000 1.072 151 L CA 1.498 56.240 54.840 -0.163 0.000 0.744 151 L CB -0.419 41.441 42.059 -0.331 0.000 0.895 151 L HN 0.286 nan 8.230 nan 0.000 0.433 152 E N 0.158 120.164 120.200 -0.324 0.000 2.017 152 E HA -0.297 4.054 4.350 0.002 0.000 0.193 152 E C 2.270 178.792 176.600 -0.130 0.000 0.997 152 E CA 1.158 57.390 56.400 -0.279 0.000 0.804 152 E CB 0.037 29.425 29.700 -0.519 0.000 0.757 152 E HN 0.116 nan 8.360 nan 0.000 0.448 153 R N 0.520 120.942 120.500 -0.129 0.000 2.134 153 R HA -0.174 4.167 4.340 0.002 0.000 0.248 153 R C 1.741 178.033 176.300 -0.013 0.000 1.143 153 R CA 2.684 58.752 56.100 -0.054 0.000 0.957 153 R CB -0.406 29.871 30.300 -0.037 0.000 0.867 153 R HN 0.265 nan 8.270 nan 0.000 0.441 154 S N -3.691 112.038 115.700 0.049 0.000 2.733 154 S HA 0.207 4.678 4.470 0.002 0.000 0.270 154 S C 1.024 175.643 174.600 0.032 0.000 1.062 154 S CA -0.471 57.742 58.200 0.022 0.000 1.256 154 S CB -0.146 63.048 63.200 -0.011 0.000 1.187 154 S HN 0.254 nan 8.310 nan 0.000 0.666 155 Y N 1.968 122.325 120.300 0.094 0.000 2.539 155 Y HA 0.501 5.051 4.550 0.001 0.000 0.284 155 Y C 0.769 176.730 175.900 0.101 0.000 1.134 155 Y CA -0.598 57.594 58.100 0.152 0.000 1.251 155 Y CB -0.022 38.442 38.460 0.006 0.000 1.260 155 Y HN 0.098 nan 8.280 nan 0.000 0.528 156 L N 2.483 123.815 121.223 0.182 0.000 2.534 156 L HA -0.026 4.314 4.340 0.002 0.000 0.271 156 L C -0.095 176.826 176.870 0.085 0.000 1.178 156 L CA 0.060 54.973 54.840 0.121 0.000 0.907 156 L CB -0.066 42.041 42.059 0.079 0.000 1.164 156 L HN 0.120 nan 8.230 nan 0.000 0.482 157 L N 4.774 126.049 121.223 0.086 0.000 2.529 157 L HA 0.053 4.394 4.340 0.002 0.000 0.287 157 L C 0.586 177.451 176.870 -0.007 0.000 1.241 157 L CA 0.619 55.475 54.840 0.026 0.000 0.857 157 L CB 0.051 42.125 42.059 0.025 0.000 1.113 157 L HN 0.636 nan 8.230 nan 0.000 0.504 158 R N 2.336 122.797 120.500 -0.066 0.000 2.807 158 R HA 0.490 4.831 4.340 0.002 0.000 0.276 158 R C 0.194 176.396 176.300 -0.162 0.000 0.979 158 R CA -0.798 55.256 56.100 -0.077 0.000 0.928 158 R CB 2.017 32.276 30.300 -0.069 0.000 1.191 158 R HN 0.502 nan 8.270 nan 0.000 0.471 159 I N 0.368 120.862 120.570 -0.127 0.000 3.325 159 I HA 0.036 4.206 4.170 0.002 0.000 0.237 159 I C 0.360 176.424 176.117 -0.088 0.000 1.068 159 I CA 0.174 61.359 61.300 -0.192 0.000 1.511 159 I CB 0.322 38.289 38.000 -0.054 0.000 1.409 159 I HN 0.417 nan 8.210 nan 0.000 0.464 160 N N 1.085 119.795 118.700 0.017 0.000 3.040 160 N HA 0.232 4.973 4.740 0.002 0.000 0.305 160 N C 0.444 175.965 175.510 0.018 0.000 1.611 160 N CA 0.594 53.675 53.050 0.053 0.000 1.049 160 N CB 0.905 39.442 38.487 0.084 0.000 1.342 160 N HN 0.538 nan 8.380 nan 0.000 0.497 161 G N 1.126 109.920 108.800 -0.010 0.000 2.196 161 G HA2 -0.334 3.627 3.960 0.002 0.000 0.268 161 G HA3 -0.334 3.627 3.960 0.002 0.000 0.268 161 G C 0.236 175.132 174.900 -0.006 0.000 0.975 161 G CA 1.093 46.185 45.100 -0.013 0.000 0.648 161 G HN 0.581 nan 8.290 nan 0.000 0.538 162 Q N 0.160 119.960 119.800 -0.000 0.000 2.274 162 Q HA 0.664 5.005 4.340 0.002 0.000 0.260 162 Q C -0.025 175.982 176.000 0.012 0.000 0.974 162 Q CA -0.935 54.876 55.803 0.013 0.000 0.876 162 Q CB 2.106 30.859 28.738 0.026 0.000 1.297 162 Q HN 0.400 nan 8.270 nan 0.000 0.446 163 V N 3.657 123.588 119.914 0.028 0.000 2.485 163 V HA 0.233 4.354 4.120 0.002 0.000 0.287 163 V C 0.894 177.023 176.094 0.058 0.000 1.022 163 V CA 0.867 63.191 62.300 0.040 0.000 1.067 163 V CB 0.080 31.938 31.823 0.058 0.000 0.967 163 V HN 1.036 nan 8.190 nan 0.000 0.479 164 A N 4.350 127.198 122.820 0.048 0.000 2.095 164 A HA 0.198 4.519 4.320 0.002 0.000 0.212 164 A C 0.891 178.538 177.584 0.105 0.000 1.162 164 A CA 0.235 52.302 52.037 0.050 0.000 0.753 164 A CB 0.108 19.109 19.000 0.003 0.000 0.840 164 A HN 0.760 nan 8.150 nan 0.000 0.468 165 E N 0.075 120.373 120.200 0.164 0.000 2.171 165 E HA 0.430 4.780 4.350 0.002 0.000 0.271 165 E C -0.638 176.178 176.600 0.361 0.000 0.916 165 E CA -0.667 55.919 56.400 0.310 0.000 0.774 165 E CB 1.500 31.355 29.700 0.259 0.000 1.128 165 E HN 0.305 nan 8.360 nan 0.000 0.403 166 R N 3.042 123.881 120.500 0.566 0.000 2.615 166 R HA 0.093 4.434 4.340 0.002 0.000 0.270 166 R C -1.637 174.743 176.300 0.133 0.000 1.081 166 R CA -1.356 54.885 56.100 0.234 0.000 1.154 166 R CB 0.269 30.578 30.300 0.015 0.000 1.063 166 R HN 0.322 nan 8.270 nan 0.000 0.519 167 P HA -0.253 nan 4.420 nan 0.000 0.216 167 P C 0.669 177.999 177.300 0.050 0.000 1.157 167 P CA 1.377 64.525 63.100 0.079 0.000 0.880 167 P CB 0.236 32.001 31.700 0.108 0.000 0.791 168 Q N -1.511 118.278 119.800 -0.020 0.000 2.170 168 Q HA -0.188 4.153 4.340 0.002 0.000 0.203 168 Q C 2.084 178.079 176.000 -0.008 0.000 0.976 168 Q CA 1.621 57.406 55.803 -0.030 0.000 0.858 168 Q CB -1.250 27.375 28.738 -0.188 0.000 0.907 168 Q HN 0.600 nan 8.270 nan 0.000 0.433 169 H N 0.559 119.751 119.070 0.202 0.000 2.353 169 H HA -0.090 4.467 4.556 0.002 0.000 0.300 169 H C 2.108 177.608 175.328 0.287 0.000 1.090 169 H CA 0.778 57.025 56.048 0.331 0.000 1.327 169 H CB -0.029 30.020 29.762 0.479 0.000 1.383 169 H HN 0.050 nan 8.280 nan 0.000 0.508 170 L N 1.540 122.944 121.223 0.302 0.000 1.978 170 L HA -0.213 4.128 4.340 0.002 0.000 0.218 170 L C 2.082 179.041 176.870 0.150 0.000 1.075 170 L CA 1.786 56.750 54.840 0.207 0.000 0.767 170 L CB -1.095 41.043 42.059 0.132 0.000 0.890 170 L HN 0.362 nan 8.230 nan 0.000 0.434 171 I N -0.659 119.973 120.570 0.103 0.000 2.194 171 I HA -0.367 3.804 4.170 0.002 0.000 0.246 171 I C 2.573 178.762 176.117 0.119 0.000 1.093 171 I CA 1.812 63.157 61.300 0.074 0.000 1.355 171 I CB -0.339 37.672 38.000 0.017 0.000 1.046 171 I HN 0.377 nan 8.210 nan 0.000 0.413 172 M N 0.777 120.419 119.600 0.071 0.000 2.200 172 M HA -0.156 4.325 4.480 0.002 0.000 0.265 172 M C 2.320 178.609 176.300 -0.018 0.000 1.066 172 M CA 1.661 56.863 55.300 -0.163 0.000 1.127 172 M CB -0.553 31.513 32.600 -0.891 0.000 1.379 172 M HN -0.004 nan 8.290 nan 0.000 0.420 173 R N -0.676 119.943 120.500 0.199 0.000 2.103 173 R HA -0.146 4.195 4.340 0.002 0.000 0.242 173 R C 1.757 178.151 176.300 0.157 0.000 1.142 173 R CA 2.131 58.416 56.100 0.308 0.000 0.960 173 R CB -0.552 29.942 30.300 0.323 0.000 0.858 173 R HN 0.361 nan 8.270 nan 0.000 0.439 174 V N 0.915 120.890 119.914 0.102 0.000 2.379 174 V HA -0.168 3.953 4.120 0.002 0.000 0.245 174 V C 2.494 178.590 176.094 0.002 0.000 1.044 174 V CA 1.725 64.043 62.300 0.030 0.000 1.036 174 V CB -0.585 31.236 31.823 -0.002 0.000 0.664 174 V HN 0.578 nan 8.190 nan 0.000 0.453 175 A N -0.038 122.815 122.820 0.056 0.000 1.892 175 A HA -0.198 4.123 4.320 0.002 0.000 0.218 175 A C 2.120 179.782 177.584 0.130 0.000 1.188 175 A CA 1.871 53.981 52.037 0.121 0.000 0.631 175 A CB -0.564 18.531 19.000 0.158 0.000 0.822 175 A HN 0.391 nan 8.150 nan 0.000 0.447 176 L N -0.380 120.906 121.223 0.105 0.000 2.027 176 L HA -0.055 4.286 4.340 0.002 0.000 0.206 176 L C 2.815 179.728 176.870 0.072 0.000 1.074 176 L CA 1.951 56.856 54.840 0.109 0.000 0.745 176 L CB -2.011 40.126 42.059 0.130 0.000 0.898 176 L HN 0.422 nan 8.230 nan 0.000 0.433 177 G N -0.391 108.440 108.800 0.051 0.000 2.469 177 G HA2 -0.261 3.700 3.960 0.002 0.000 0.219 177 G HA3 -0.261 3.700 3.960 0.002 0.000 0.219 177 G C 1.767 176.645 174.900 -0.037 0.000 1.150 177 G CA 1.014 46.127 45.100 0.021 0.000 0.763 177 G HN 0.373 nan 8.290 nan 0.000 0.561 178 I N -0.451 120.049 120.570 -0.117 0.000 2.202 178 I HA -0.099 4.072 4.170 0.002 0.000 0.242 178 I C 2.298 178.251 176.117 -0.272 0.000 1.091 178 I CA 1.000 62.138 61.300 -0.270 0.000 1.368 178 I CB -0.157 37.555 38.000 -0.480 0.000 1.058 178 I HN 0.171 nan 8.210 nan 0.000 0.410 179 H N 0.269 119.350 119.070 0.019 0.000 2.575 179 H HA 0.208 4.765 4.556 0.002 0.000 0.267 179 H C 1.548 176.890 175.328 0.023 0.000 0.966 179 H CA 0.705 56.767 56.048 0.023 0.000 1.165 179 H CB 0.131 29.908 29.762 0.026 0.000 1.433 179 H HN 0.408 nan 8.280 nan 0.000 0.544 180 G N 2.159 111.027 108.800 0.113 0.000 2.651 180 G HA2 -0.406 3.555 3.960 0.002 0.000 0.315 180 G HA3 -0.406 3.555 3.960 0.002 0.000 0.315 180 G C 1.268 176.211 174.900 0.072 0.000 1.258 180 G CA 0.519 45.666 45.100 0.079 0.000 1.002 180 G HN 0.320 nan 8.290 nan 0.000 0.551 181 R N 1.637 122.170 120.500 0.054 0.000 2.328 181 R HA 0.028 4.369 4.340 0.002 0.000 0.207 181 R C 0.959 177.277 176.300 0.030 0.000 1.056 181 R CA 0.746 56.867 56.100 0.035 0.000 1.016 181 R CB -0.609 29.706 30.300 0.026 0.000 0.872 181 R HN 0.522 nan 8.270 nan 0.000 0.471 182 D N 0.927 121.355 120.400 0.047 0.000 2.551 182 D HA 0.018 4.659 4.640 0.002 0.000 0.223 182 D C 1.037 177.330 176.300 -0.012 0.000 1.144 182 D CA -0.177 53.833 54.000 0.017 0.000 1.025 182 D CB 0.052 40.869 40.800 0.028 0.000 1.085 182 D HN -0.085 nan 8.370 nan 0.000 0.506 183 I N 1.855 122.417 120.570 -0.014 0.000 2.264 183 I HA -0.229 3.942 4.170 0.002 0.000 0.248 183 I C 2.322 178.408 176.117 -0.052 0.000 1.111 183 I CA 1.027 62.313 61.300 -0.023 0.000 1.382 183 I CB 0.005 37.993 38.000 -0.021 0.000 1.060 183 I HN 0.242 nan 8.210 nan 0.000 0.418 184 E N 0.433 120.596 120.200 -0.062 0.000 2.051 184 E HA -0.181 4.170 4.350 0.002 0.000 0.192 184 E C 2.416 178.944 176.600 -0.121 0.000 0.991 184 E CA 1.460 57.816 56.400 -0.073 0.000 0.799 184 E CB -0.632 29.032 29.700 -0.060 0.000 0.748 184 E HN 0.484 nan 8.360 nan 0.000 0.449 185 A N 1.531 124.232 122.820 -0.199 0.000 1.917 185 A HA -0.174 4.147 4.320 0.002 0.000 0.219 185 A C 2.422 179.701 177.584 -0.507 0.000 1.182 185 A CA 2.452 54.230 52.037 -0.433 0.000 0.633 185 A CB -0.644 17.982 19.000 -0.624 0.000 0.819 185 A HN 0.281 nan 8.150 nan 0.000 0.448 186 A N -0.974 121.692 122.820 -0.256 0.000 1.898 186 A HA 0.053 4.374 4.320 0.002 0.000 0.216 186 A C 1.966 179.570 177.584 0.033 0.000 1.181 186 A CA 1.589 53.635 52.037 0.014 0.000 0.620 186 A CB -0.491 18.556 19.000 0.079 0.000 0.819 186 A HN 0.391 nan 8.150 nan 0.000 0.442 187 L N 0.050 121.262 121.223 -0.018 0.000 2.131 187 L HA -0.142 4.199 4.340 0.002 0.000 0.210 187 L C 2.386 179.293 176.870 0.061 0.000 1.092 187 L CA 2.197 57.045 54.840 0.014 0.000 0.759 187 L CB -0.725 41.318 42.059 -0.026 0.000 0.903 187 L HN 0.684 nan 8.230 nan 0.000 0.435 188 E N -1.164 119.043 120.200 0.011 0.000 2.046 188 E HA -0.176 4.175 4.350 0.002 0.000 0.190 188 E C 1.928 178.581 176.600 0.088 0.000 0.982 188 E CA 1.495 57.909 56.400 0.023 0.000 0.800 188 E CB 0.016 29.703 29.700 -0.023 0.000 0.756 188 E HN 0.353 nan 8.360 nan 0.000 0.449 189 T N 0.423 115.063 114.554 0.143 0.000 2.699 189 T HA -0.234 4.117 4.350 0.002 0.000 0.268 189 T C 1.472 176.230 174.700 0.098 0.000 1.036 189 T CA 1.678 63.939 62.100 0.268 0.000 1.147 189 T CB -0.575 68.551 68.868 0.430 0.000 0.862 189 T HN 0.380 nan 8.240 nan 0.000 0.446 190 Y N 2.539 122.836 120.300 -0.004 0.000 2.128 190 Y HA -0.181 4.370 4.550 0.002 0.000 0.284 190 Y C 2.319 178.157 175.900 -0.103 0.000 1.154 190 Y CA 1.444 59.495 58.100 -0.083 0.000 1.149 190 Y CB -0.537 37.846 38.460 -0.127 0.000 0.976 190 Y HN 0.119 nan 8.280 nan 0.000 0.505 191 N N 0.502 119.091 118.700 -0.185 0.000 2.084 191 N HA -0.160 4.581 4.740 0.002 0.000 0.190 191 N C 1.885 177.253 175.510 -0.236 0.000 1.030 191 N CA 1.887 54.782 53.050 -0.258 0.000 0.849 191 N CB -0.447 38.026 38.487 -0.022 0.000 1.012 191 N HN 0.431 nan 8.380 nan 0.000 0.423 192 L N 0.370 121.527 121.223 -0.111 0.000 2.141 192 L HA -0.018 4.323 4.340 0.002 0.000 0.209 192 L C 2.402 179.127 176.870 -0.242 0.000 1.094 192 L CA 0.723 55.570 54.840 0.012 0.000 0.763 192 L CB -0.253 41.912 42.059 0.177 0.000 0.908 192 L HN 0.119 nan 8.230 nan 0.000 0.437 193 M N -0.599 118.700 119.600 -0.502 0.000 2.156 193 M HA -0.128 4.353 4.480 0.002 0.000 0.264 193 M C 2.592 178.630 176.300 -0.437 0.000 1.067 193 M CA 1.801 56.751 55.300 -0.584 0.000 1.131 193 M CB -0.280 32.017 32.600 -0.506 0.000 1.368 193 M HN 0.318 nan 8.290 nan 0.000 0.416 194 S N 0.693 116.074 115.700 -0.531 0.000 2.399 194 S HA -0.076 4.395 4.470 0.002 0.000 0.231 194 S C 1.690 176.023 174.600 -0.446 0.000 1.022 194 S CA 0.964 58.840 58.200 -0.539 0.000 0.983 194 S CB -0.737 61.944 63.200 -0.865 0.000 0.803 194 S HN 0.458 nan 8.310 nan 0.000 0.480 195 L N 0.857 121.859 121.223 -0.369 0.000 2.599 195 L HA 0.195 4.536 4.340 0.002 0.000 0.230 195 L C 0.165 176.735 176.870 -0.499 0.000 1.141 195 L CA 0.117 54.752 54.840 -0.341 0.000 0.877 195 L CB -0.389 41.601 42.059 -0.115 0.000 1.009 195 L HN 0.272 nan 8.230 nan 0.000 0.447 196 K N -1.682 118.461 120.400 -0.429 0.000 3.161 196 K HA -0.257 4.064 4.320 0.002 0.000 0.270 196 K C 0.179 176.527 176.600 -0.420 0.000 1.115 196 K CA 0.603 56.652 56.287 -0.397 0.000 0.789 196 K CB -2.392 29.870 32.500 -0.397 0.000 1.256 196 K HN 0.300 nan 8.250 nan 0.000 0.492 197 Y N 0.012 120.176 120.300 -0.227 0.000 2.365 197 Y HA 0.048 4.599 4.550 0.002 0.000 0.293 197 Y C 1.165 177.149 175.900 0.139 0.000 1.119 197 Y CA 1.098 59.126 58.100 -0.119 0.000 1.203 197 Y CB 0.342 38.803 38.460 0.002 0.000 1.026 197 Y HN 0.373 nan 8.280 nan 0.000 0.549 198 F N -3.677 116.336 119.950 0.105 0.000 2.773 198 F HA 0.645 5.173 4.527 0.002 0.000 0.314 198 F C -0.811 175.009 175.800 0.033 0.000 1.160 198 F CA -1.323 56.718 58.000 0.069 0.000 0.920 198 F CB 1.364 40.407 39.000 0.071 0.000 1.323 198 F HN -0.399 nan 8.300 nan 0.000 0.457 199 T N -1.085 113.566 114.554 0.161 0.000 2.762 199 T HA 0.496 4.847 4.350 0.002 0.000 0.288 199 T C -1.869 172.911 174.700 0.134 0.000 1.079 199 T CA -0.425 61.716 62.100 0.069 0.000 1.016 199 T CB 1.448 70.304 68.868 -0.020 0.000 1.322 199 T HN 0.812 nan 8.240 nan 0.000 0.525 200 H N -0.334 118.781 119.070 0.075 0.000 2.710 200 H HA 0.674 5.231 4.556 0.002 0.000 0.361 200 H C 0.238 175.569 175.328 0.005 0.000 1.175 200 H CA -0.553 55.537 56.048 0.070 0.000 1.206 200 H CB 1.802 31.605 29.762 0.069 0.000 1.750 200 H HN 0.873 nan 8.280 nan 0.000 0.553 201 A N 0.963 123.848 122.820 0.109 0.000 2.448 201 A HA 0.037 4.358 4.320 0.002 0.000 0.239 201 A C 1.413 178.994 177.584 -0.006 0.000 1.080 201 A CA 0.241 52.300 52.037 0.036 0.000 0.779 201 A CB 0.150 19.167 19.000 0.027 0.000 1.026 201 A HN 0.828 nan 8.150 nan 0.000 0.499 202 S N 1.357 117.024 115.700 -0.054 0.000 2.368 202 S HA -0.141 4.329 4.470 0.002 0.000 0.226 202 S C -0.634 173.689 174.600 -0.461 0.000 1.044 202 S CA 2.368 60.429 58.200 -0.232 0.000 1.062 202 S CB -1.198 61.867 63.200 -0.224 0.000 0.931 202 S HN 0.740 nan 8.310 nan 0.000 0.440 203 P HA -0.007 nan 4.420 nan 0.000 0.218 203 P C 1.347 178.690 177.300 0.072 0.000 1.149 203 P CA 1.147 64.305 63.100 0.096 0.000 0.817 203 P CB -0.271 31.517 31.700 0.146 0.000 0.785 204 T N 0.139 114.707 114.554 0.024 0.000 2.674 204 T HA -0.094 4.257 4.350 0.002 0.000 0.265 204 T C 1.755 176.469 174.700 0.022 0.000 1.039 204 T CA 1.126 63.245 62.100 0.031 0.000 1.150 204 T CB -1.047 67.853 68.868 0.053 0.000 0.864 204 T HN 0.044 nan 8.240 nan 0.000 0.427 205 L N -0.107 121.110 121.223 -0.010 0.000 2.021 205 L HA -0.161 4.180 4.340 0.002 0.000 0.215 205 L C 2.415 179.350 176.870 0.107 0.000 1.074 205 L CA 1.778 56.631 54.840 0.022 0.000 0.760 205 L CB -0.854 41.219 42.059 0.023 0.000 0.889 205 L HN 0.295 nan 8.230 nan 0.000 0.433 206 F N -0.020 119.998 119.950 0.114 0.000 2.113 206 F HA -0.178 4.350 4.527 0.002 0.000 0.297 206 F C 2.170 177.985 175.800 0.026 0.000 1.103 206 F CA 0.872 58.889 58.000 0.028 0.000 1.248 206 F CB -0.130 38.850 39.000 -0.034 0.000 0.999 206 F HN 0.219 nan 8.300 nan 0.000 0.475 207 N N -0.265 118.578 118.700 0.238 0.000 2.227 207 N HA 0.171 4.912 4.740 0.002 0.000 0.196 207 N C 0.206 175.772 175.510 0.093 0.000 1.142 207 N CA 0.234 53.371 53.050 0.146 0.000 0.887 207 N CB 0.087 38.656 38.487 0.137 0.000 1.022 207 N HN -0.039 nan 8.380 nan 0.000 0.500 208 A N 0.410 123.278 122.820 0.079 0.000 2.522 208 A HA 0.486 4.807 4.320 0.002 0.000 0.256 208 A C 1.425 179.049 177.584 0.067 0.000 1.086 208 A CA 0.848 52.912 52.037 0.045 0.000 0.763 208 A CB -0.442 18.559 19.000 0.002 0.000 1.024 208 A HN 0.448 nan 8.150 nan 0.000 0.502 209 G N 1.775 110.612 108.800 0.062 0.000 2.254 209 G HA2 -0.174 3.787 3.960 0.002 0.000 0.225 209 G HA3 -0.174 3.787 3.960 0.002 0.000 0.225 209 G C 0.685 175.633 174.900 0.080 0.000 1.003 209 G CA 0.851 45.999 45.100 0.081 0.000 0.622 209 G HN 2.039 nan 8.290 nan 0.000 0.507 210 T N -0.949 113.645 114.554 0.067 0.000 2.902 210 T HA 0.668 5.019 4.350 0.002 0.000 0.280 210 T C -0.638 174.078 174.700 0.027 0.000 0.992 210 T CA -0.785 61.346 62.100 0.053 0.000 1.015 210 T CB 2.515 71.406 68.868 0.038 0.000 1.044 210 T HN -0.029 nan 8.240 nan 0.000 0.520 211 P HA -0.023 nan 4.420 nan 0.000 0.216 211 P C 0.241 177.476 177.300 -0.108 0.000 1.150 211 P CA 1.212 64.298 63.100 -0.022 0.000 0.837 211 P CB 0.087 31.771 31.700 -0.027 0.000 0.786 212 K N 0.336 120.623 120.400 -0.188 0.000 2.459 212 K HA 0.299 4.620 4.320 0.002 0.000 0.218 212 K C -2.528 173.970 176.600 -0.170 0.000 1.067 212 K CA -2.243 53.795 56.287 -0.415 0.000 1.045 212 K CB 0.427 32.469 32.500 -0.762 0.000 1.623 212 K HN 0.166 nan 8.250 nan 0.000 0.509 213 P HA 0.066 nan 4.420 nan 0.000 0.260 213 P C -0.274 177.094 177.300 0.113 0.000 1.651 213 P CA -0.357 62.777 63.100 0.057 0.000 1.139 213 P CB 0.518 32.248 31.700 0.049 0.000 1.756 214 Q N 3.216 123.103 119.800 0.145 0.000 2.441 214 Q HA 0.280 4.621 4.340 0.002 0.000 0.234 214 Q C 0.515 176.582 176.000 0.112 0.000 1.078 214 Q CA -0.030 55.875 55.803 0.170 0.000 0.907 214 Q CB 0.597 29.485 28.738 0.250 0.000 1.269 214 Q HN 0.443 nan 8.270 nan 0.000 0.502 215 M N 0.143 119.768 119.600 0.042 0.000 2.441 215 M HA 0.133 4.614 4.480 0.002 0.000 0.244 215 M C 0.364 176.674 176.300 0.016 0.000 1.122 215 M CA 0.085 55.404 55.300 0.033 0.000 1.041 215 M CB 0.709 33.311 32.600 0.003 0.000 1.438 215 M HN 0.161 nan 8.290 nan 0.000 0.484 216 S N -0.186 115.502 115.700 -0.020 0.000 2.537 216 S HA 0.151 4.622 4.470 0.002 0.000 0.275 216 S C 0.984 175.503 174.600 -0.135 0.000 1.272 216 S CA -0.352 57.786 58.200 -0.104 0.000 1.050 216 S CB 1.629 64.705 63.200 -0.207 0.000 0.961 216 S HN 0.148 nan 8.310 nan 0.000 0.496 217 S N 1.031 116.647 115.700 -0.139 0.000 2.489 217 S HA 0.088 4.559 4.470 0.002 0.000 0.228 217 S C 0.530 175.059 174.600 -0.119 0.000 0.995 217 S CA 0.518 58.669 58.200 -0.081 0.000 0.934 217 S CB -0.629 62.546 63.200 -0.042 0.000 0.771 217 S HN 0.925 nan 8.310 nan 0.000 0.522 218 c N -1.817 116.587 118.600 -0.326 0.000 3.176 218 c HA 0.687 5.258 4.570 0.002 0.000 0.343 218 c C -1.824 171.870 174.090 -0.660 0.000 1.332 218 c CA -1.815 54.338 56.329 -0.294 0.000 1.200 218 c CB 0.040 42.492 42.510 -0.096 0.000 1.440 218 c HN 0.144 nan 8.230 nan 0.000 0.458 219 F N 0.825 120.760 119.950 -0.025 0.000 2.578 219 F HA 0.789 5.317 4.527 0.001 0.000 0.311 219 F C -0.276 175.486 175.800 -0.064 0.000 1.094 219 F CA -0.939 57.045 58.000 -0.028 0.000 0.923 219 F CB 1.711 40.696 39.000 -0.026 0.000 1.230 219 F HN 0.568 nan 8.300 nan 0.000 0.450 220 L N 3.965 125.244 121.223 0.093 0.000 2.325 220 L HA 0.685 5.026 4.340 0.002 0.000 0.281 220 L C -0.903 175.955 176.870 -0.020 0.000 1.004 220 L CA -0.932 53.904 54.840 -0.007 0.000 0.823 220 L CB 1.462 43.473 42.059 -0.079 0.000 1.236 220 L HN 0.308 nan 8.230 nan 0.000 0.415 221 V N 2.120 121.989 119.914 -0.076 0.000 2.483 221 V HA 0.608 4.729 4.120 0.002 0.000 0.295 221 V C 0.523 176.402 176.094 -0.359 0.000 1.035 221 V CA -0.576 61.647 62.300 -0.129 0.000 0.896 221 V CB 1.811 33.590 31.823 -0.073 0.000 0.986 221 V HN 0.889 nan 8.190 nan 0.000 0.447 222 A N 5.010 127.615 122.820 -0.359 0.000 2.309 222 A HA 0.707 5.028 4.320 0.002 0.000 0.298 222 A C -0.139 177.222 177.584 -0.372 0.000 1.165 222 A CA -0.533 51.141 52.037 -0.606 0.000 0.821 222 A CB 0.526 19.412 19.000 -0.191 0.000 1.102 222 A HN 0.931 nan 8.150 nan 0.000 0.500 223 M N 2.745 122.093 119.600 -0.420 0.000 2.307 223 M HA 0.182 4.663 4.480 0.002 0.000 0.346 223 M C 0.683 176.944 176.300 -0.064 0.000 1.552 223 M CA 0.732 55.922 55.300 -0.183 0.000 1.116 223 M CB 0.044 32.536 32.600 -0.180 0.000 1.889 223 M HN 0.705 nan 8.290 nan 0.000 0.460 224 K N 2.532 122.925 120.400 -0.011 0.000 2.211 224 K HA -0.014 4.307 4.320 0.002 0.000 0.203 224 K C 0.049 176.678 176.600 0.048 0.000 1.050 224 K CA 1.120 57.420 56.287 0.022 0.000 0.945 224 K CB 0.100 32.621 32.500 0.035 0.000 0.732 224 K HN 0.798 nan 8.250 nan 0.000 0.451 225 E N -0.084 120.150 120.200 0.057 0.000 2.419 225 E HA -0.039 4.312 4.350 0.002 0.000 0.285 225 E C -1.873 174.775 176.600 0.078 0.000 1.079 225 E CA -0.382 56.062 56.400 0.072 0.000 0.864 225 E CB 1.062 30.804 29.700 0.070 0.000 1.216 225 E HN -0.092 nan 8.360 nan 0.000 0.428 226 D N 2.356 122.808 120.400 0.087 0.000 2.745 226 D HA 0.164 4.805 4.640 0.002 0.000 0.229 226 D C -1.178 175.173 176.300 0.086 0.000 1.088 226 D CA 0.643 54.698 54.000 0.092 0.000 1.054 226 D CB -0.252 40.611 40.800 0.105 0.000 1.132 226 D HN 0.427 nan 8.370 nan 0.000 0.464 227 S N 0.464 116.217 115.700 0.089 0.000 2.547 227 S HA 0.269 4.740 4.470 0.002 0.000 0.270 227 S C 1.096 175.765 174.600 0.115 0.000 1.150 227 S CA -0.918 57.333 58.200 0.085 0.000 0.850 227 S CB 0.811 64.054 63.200 0.072 0.000 1.118 227 S HN -0.073 nan 8.310 nan 0.000 0.461 228 I N 1.511 122.151 120.570 0.117 0.000 2.181 228 I HA -0.219 3.952 4.170 0.002 0.000 0.247 228 I C 2.377 178.618 176.117 0.207 0.000 1.081 228 I CA 1.951 63.357 61.300 0.176 0.000 1.340 228 I CB -1.801 36.240 38.000 0.068 0.000 1.036 228 I HN 0.803 nan 8.210 nan 0.000 0.417 229 E N 0.804 121.073 120.200 0.115 0.000 2.038 229 E HA -0.148 4.203 4.350 0.002 0.000 0.195 229 E C 2.385 179.062 176.600 0.128 0.000 1.000 229 E CA 1.521 57.983 56.400 0.104 0.000 0.803 229 E CB -0.807 28.930 29.700 0.063 0.000 0.750 229 E HN 0.550 nan 8.360 nan 0.000 0.448 230 G N 0.814 109.679 108.800 0.109 0.000 2.446 230 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 230 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 230 G C 1.643 176.608 174.900 0.107 0.000 1.168 230 G CA 1.035 46.193 45.100 0.096 0.000 0.771 230 G HN 0.173 nan 8.290 nan 0.000 0.551 231 I N -0.907 119.740 120.570 0.128 0.000 2.286 231 I HA -0.154 4.017 4.170 0.002 0.000 0.248 231 I C 2.396 178.479 176.117 -0.057 0.000 1.115 231 I CA 0.949 62.306 61.300 0.095 0.000 1.392 231 I CB -0.176 37.882 38.000 0.097 0.000 1.065 231 I HN 0.133 nan 8.210 nan 0.000 0.418 232 Y N 0.527 120.838 120.300 0.019 0.000 2.365 232 Y HA -0.143 4.408 4.550 0.002 0.000 0.293 232 Y C 2.246 178.138 175.900 -0.014 0.000 1.119 232 Y CA 0.896 58.976 58.100 -0.033 0.000 1.203 232 Y CB -0.266 38.170 38.460 -0.040 0.000 1.026 232 Y HN 0.123 nan 8.280 nan 0.000 0.549 233 D N -0.790 119.685 120.400 0.124 0.000 2.117 233 D HA -0.141 4.500 4.640 0.002 0.000 0.197 233 D C 2.041 178.375 176.300 0.056 0.000 0.987 233 D CA 1.810 55.857 54.000 0.078 0.000 0.829 233 D CB -0.362 40.481 40.800 0.071 0.000 0.961 233 D HN 0.252 nan 8.370 nan 0.000 0.460 234 T N 1.034 115.632 114.554 0.073 0.000 2.777 234 T HA -0.125 4.226 4.350 0.002 0.000 0.266 234 T C 1.974 176.757 174.700 0.137 0.000 1.040 234 T CA 0.533 62.702 62.100 0.117 0.000 1.141 234 T CB -0.315 68.664 68.868 0.184 0.000 0.868 234 T HN 0.051 nan 8.240 nan 0.000 0.444 235 L N 1.526 122.743 121.223 -0.010 0.000 2.046 235 L HA -0.000 4.340 4.340 0.002 0.000 0.208 235 L C 2.412 179.216 176.870 -0.110 0.000 1.077 235 L CA 1.868 56.535 54.840 -0.288 0.000 0.747 235 L CB -0.503 41.089 42.059 -0.778 0.000 0.896 235 L HN 0.091 nan 8.230 nan 0.000 0.432 236 K N -0.417 119.952 120.400 -0.051 0.000 2.044 236 K HA -0.301 4.020 4.320 0.002 0.000 0.210 236 K C 2.166 178.777 176.600 0.019 0.000 1.049 236 K CA 2.162 58.451 56.287 0.004 0.000 0.927 236 K CB -0.326 32.191 32.500 0.029 0.000 0.713 236 K HN 0.581 nan 8.250 nan 0.000 0.443 237 E N 0.083 120.299 120.200 0.027 0.000 2.051 237 E HA -0.195 4.156 4.350 0.002 0.000 0.192 237 E C 2.034 178.641 176.600 0.011 0.000 0.991 237 E CA 1.553 57.959 56.400 0.011 0.000 0.799 237 E CB -0.087 29.621 29.700 0.013 0.000 0.748 237 E HN 0.484 nan 8.360 nan 0.000 0.449 238 C N 0.647 120.003 119.300 0.093 0.000 2.413 238 C HA -0.085 4.376 4.460 0.002 0.000 0.277 238 C C 2.878 177.936 174.990 0.113 0.000 1.265 238 C CA 0.908 60.020 59.018 0.155 0.000 1.752 238 C CB -1.147 26.867 27.740 0.458 0.000 1.998 238 C HN 0.599 nan 8.230 nan 0.000 0.489 239 A N 0.486 123.359 122.820 0.089 0.000 1.877 239 A HA -0.102 4.219 4.320 0.002 0.000 0.216 239 A C 2.113 179.717 177.584 0.035 0.000 1.186 239 A CA 1.461 53.542 52.037 0.075 0.000 0.620 239 A CB -0.665 18.375 19.000 0.068 0.000 0.822 239 A HN 0.599 nan 8.150 nan 0.000 0.443 240 L N -0.675 120.555 121.223 0.011 0.000 2.043 240 L HA -0.225 4.116 4.340 0.002 0.000 0.212 240 L C 2.494 179.327 176.870 -0.061 0.000 1.075 240 L CA 1.441 56.273 54.840 -0.013 0.000 0.752 240 L CB -0.504 41.543 42.059 -0.020 0.000 0.891 240 L HN 0.401 nan 8.230 nan 0.000 0.432 241 I N -1.446 119.050 120.570 -0.123 0.000 2.233 241 I HA -0.241 3.930 4.170 0.002 0.000 0.243 241 I C 2.625 178.666 176.117 -0.126 0.000 1.093 241 I CA 1.079 62.218 61.300 -0.268 0.000 1.380 241 I CB -0.171 37.557 38.000 -0.454 0.000 1.067 241 I HN 0.100 nan 8.210 nan 0.000 0.413 242 S N 0.467 116.147 115.700 -0.033 0.000 2.555 242 S HA -0.146 4.325 4.470 0.002 0.000 0.230 242 S C 1.986 176.603 174.600 0.028 0.000 0.978 242 S CA 0.899 59.119 58.200 0.034 0.000 0.934 242 S CB -0.229 63.046 63.200 0.124 0.000 0.766 242 S HN 0.313 nan 8.310 nan 0.000 0.533 243 K N 1.013 121.417 120.400 0.007 0.000 2.025 243 K HA -0.076 4.245 4.320 0.002 0.000 0.207 243 K C 1.278 177.884 176.600 0.010 0.000 1.049 243 K CA 1.742 58.028 56.287 -0.002 0.000 0.933 243 K CB -0.546 31.955 32.500 0.001 0.000 0.714 243 K HN 0.430 nan 8.250 nan 0.000 0.438 244 T N -0.838 113.737 114.554 0.036 0.000 3.327 244 T HA 0.537 4.888 4.350 0.002 0.000 0.241 244 T C 0.427 175.184 174.700 0.094 0.000 0.907 244 T CA 0.110 62.252 62.100 0.069 0.000 0.931 244 T CB -0.403 68.546 68.868 0.134 0.000 1.112 244 T HN 0.527 nan 8.240 nan 0.000 0.589 245 A N 0.629 123.489 122.820 0.067 0.000 5.813 245 A HA 0.275 4.596 4.320 0.002 0.000 0.291 245 A C 1.031 178.710 177.584 0.158 0.000 1.970 245 A CA 0.504 52.595 52.037 0.090 0.000 0.717 245 A CB -1.931 17.111 19.000 0.069 0.000 1.222 245 A HN 2.616 nan 8.150 nan 0.000 0.377 246 G N -2.063 106.843 108.800 0.178 0.000 2.978 246 G HA2 0.454 4.415 3.960 0.002 0.000 0.686 246 G HA3 0.454 4.415 3.960 0.002 0.000 0.686 246 G C 1.107 176.119 174.900 0.187 0.000 1.288 246 G CA 0.735 45.961 45.100 0.210 0.000 1.026 246 G HN 2.759 nan 8.290 nan 0.000 0.587 247 G N 0.053 108.927 108.800 0.124 0.000 2.594 247 G HA2 0.537 4.498 3.960 0.002 0.000 0.243 247 G HA3 0.537 4.498 3.960 0.002 0.000 0.243 247 G C 0.254 175.173 174.900 0.032 0.000 1.229 247 G CA -0.338 44.800 45.100 0.063 0.000 0.843 247 G HN 1.008 nan 8.290 nan 0.000 0.578 248 I N 0.453 120.928 120.570 -0.157 0.000 2.509 248 I HA 0.442 4.613 4.170 0.002 0.000 0.293 248 I C 0.461 176.471 176.117 -0.178 0.000 1.020 248 I CA -0.858 60.290 61.300 -0.254 0.000 1.088 248 I CB 2.481 40.064 38.000 -0.694 0.000 1.267 248 I HN 0.577 nan 8.210 nan 0.000 0.430 249 G N 6.448 115.224 108.800 -0.040 0.000 2.603 249 G HA2 0.555 4.516 3.960 0.002 0.000 0.324 249 G HA3 0.555 4.516 3.960 0.002 0.000 0.324 249 G C -1.330 173.591 174.900 0.035 0.000 1.178 249 G CA -0.293 44.855 45.100 0.080 0.000 1.023 249 G HN 0.371 nan 8.290 nan 0.000 0.482 250 L N 4.370 125.656 121.223 0.105 0.000 2.296 250 L HA 0.526 4.867 4.340 0.002 0.000 0.286 250 L C 0.097 176.926 176.870 -0.068 0.000 1.023 250 L CA -0.952 53.868 54.840 -0.033 0.000 0.812 250 L CB 0.868 42.932 42.059 0.008 0.000 1.223 250 L HN 0.683 nan 8.230 nan 0.000 0.421 251 H N 5.297 124.241 119.070 -0.210 0.000 2.457 251 H HA 0.462 5.019 4.556 0.002 0.000 0.335 251 H C -0.211 174.848 175.328 -0.448 0.000 1.115 251 H CA -0.850 54.955 56.048 -0.405 0.000 1.219 251 H CB 1.521 30.955 29.762 -0.548 0.000 1.471 251 H HN 0.816 nan 8.280 nan 0.000 0.491 252 I N 0.325 120.625 120.570 -0.450 0.000 3.426 252 I HA 0.154 4.325 4.170 0.002 0.000 0.329 252 I C 0.027 175.958 176.117 -0.311 0.000 1.553 252 I CA -0.756 60.337 61.300 -0.346 0.000 1.019 252 I CB 0.057 37.837 38.000 -0.366 0.000 1.376 252 I HN 0.445 nan 8.210 nan 0.000 0.525 253 H N 2.569 121.618 119.070 -0.035 0.000 2.489 253 H HA -0.026 4.531 4.556 0.002 0.000 0.293 253 H C 1.320 176.781 175.328 0.222 0.000 1.066 253 H CA 1.610 57.665 56.048 0.012 0.000 1.305 253 H CB -0.184 29.655 29.762 0.128 0.000 1.386 253 H HN 0.670 nan 8.280 nan 0.000 0.551 254 N N 0.896 119.766 118.700 0.282 0.000 2.336 254 N HA -0.034 4.707 4.740 0.002 0.000 0.189 254 N C 0.400 176.040 175.510 0.216 0.000 1.113 254 N CA 0.025 53.242 53.050 0.278 0.000 0.858 254 N CB 0.242 38.862 38.487 0.222 0.000 0.970 254 N HN 0.064 nan 8.380 nan 0.000 0.471 255 I N 3.294 123.966 120.570 0.169 0.000 2.471 255 I HA 0.073 4.244 4.170 0.002 0.000 0.286 255 I C 1.202 177.482 176.117 0.273 0.000 1.079 255 I CA -0.629 60.763 61.300 0.154 0.000 1.398 255 I CB 0.468 38.500 38.000 0.053 0.000 1.403 255 I HN 0.216 nan 8.210 nan 0.000 0.530 256 R N 4.911 125.532 120.500 0.203 0.000 2.827 256 R HA 0.299 4.640 4.340 0.002 0.000 0.269 256 R C 0.089 176.509 176.300 0.199 0.000 1.048 256 R CA -0.436 55.775 56.100 0.185 0.000 1.173 256 R CB 0.245 30.621 30.300 0.127 0.000 1.070 256 R HN 0.670 nan 8.270 nan 0.000 0.498 257 S N 0.328 116.112 115.700 0.140 0.000 2.722 257 S HA 0.249 4.720 4.470 0.002 0.000 0.292 257 S C -0.311 174.355 174.600 0.111 0.000 1.135 257 S CA -0.923 57.370 58.200 0.155 0.000 1.003 257 S CB 1.439 64.664 63.200 0.042 0.000 1.067 257 S HN 0.636 nan 8.310 nan 0.000 0.546 258 T N 1.386 116.007 114.554 0.112 0.000 2.923 258 T HA 0.403 4.754 4.350 0.002 0.000 0.304 258 T C 1.538 176.280 174.700 0.071 0.000 1.044 258 T CA 1.014 63.164 62.100 0.085 0.000 1.141 258 T CB -0.445 68.472 68.868 0.082 0.000 1.023 258 T HN 1.767 nan 8.240 nan 0.000 0.533 259 G N 2.696 111.533 108.800 0.062 0.000 2.199 259 G HA2 -0.290 3.671 3.960 0.002 0.000 0.254 259 G HA3 -0.290 3.671 3.960 0.002 0.000 0.254 259 G C 0.432 175.375 174.900 0.073 0.000 0.982 259 G CA 0.107 45.242 45.100 0.059 0.000 0.632 259 G HN 0.840 nan 8.290 nan 0.000 0.529 260 S N -0.198 115.548 115.700 0.078 0.000 2.579 260 S HA 0.441 4.912 4.470 0.002 0.000 0.275 260 S C 0.092 174.762 174.600 0.117 0.000 1.345 260 S CA -0.295 57.966 58.200 0.102 0.000 1.031 260 S CB 0.806 64.065 63.200 0.097 0.000 0.892 260 S HN 0.622 nan 8.310 nan 0.000 0.529 261 Y N 2.342 122.656 120.300 0.024 0.000 2.397 261 Y HA 0.445 4.996 4.550 0.002 0.000 0.335 261 Y C -0.350 175.565 175.900 0.025 0.000 1.213 261 Y CA 0.012 58.124 58.100 0.021 0.000 1.391 261 Y CB 0.273 38.741 38.460 0.014 0.000 1.293 261 Y HN 0.450 nan 8.280 nan 0.000 0.557 262 I N 5.662 125.746 120.570 -0.809 0.000 2.533 262 I HA 0.464 4.635 4.170 0.002 0.000 0.290 262 I C -0.302 175.327 176.117 -0.812 0.000 1.056 262 I CA -1.223 59.720 61.300 -0.595 0.000 1.057 262 I CB 1.711 39.555 38.000 -0.261 0.000 1.240 262 I HN 0.810 nan 8.210 nan 0.000 0.423 263 A N 3.864 126.427 122.820 -0.428 0.000 2.483 263 A HA 0.467 4.788 4.320 0.002 0.000 0.238 263 A C 1.329 178.840 177.584 -0.122 0.000 1.070 263 A CA 0.710 52.642 52.037 -0.175 0.000 0.770 263 A CB -0.237 18.776 19.000 0.021 0.000 1.008 263 A HN 1.389 nan 8.150 nan 0.000 0.497 264 G N 0.740 109.516 108.800 -0.041 0.000 2.166 264 G HA2 -0.087 3.874 3.960 0.002 0.000 0.260 264 G HA3 -0.087 3.874 3.960 0.002 0.000 0.260 264 G C 0.463 175.336 174.900 -0.044 0.000 0.986 264 G CA 1.538 46.624 45.100 -0.023 0.000 0.683 264 G HN 2.657 nan 8.290 nan 0.000 0.527 265 T N -3.493 111.009 114.554 -0.087 0.000 2.923 265 T HA 0.526 4.877 4.350 0.002 0.000 0.311 265 T C 0.927 175.582 174.700 -0.074 0.000 1.183 265 T CA 0.234 62.292 62.100 -0.070 0.000 1.020 265 T CB 1.101 69.926 68.868 -0.072 0.000 1.165 265 T HN 0.267 nan 8.240 nan 0.000 0.482 266 N N 1.502 120.186 118.700 -0.027 0.000 2.192 266 N HA 0.046 4.787 4.740 0.002 0.000 0.188 266 N C 1.216 176.716 175.510 -0.017 0.000 1.013 266 N CA 0.925 53.972 53.050 -0.005 0.000 0.863 266 N CB -0.812 37.676 38.487 0.002 0.000 0.990 266 N HN 0.995 nan 8.380 nan 0.000 0.430 267 G N -0.335 108.443 108.800 -0.037 0.000 2.414 267 G HA2 0.267 4.227 3.960 0.002 0.000 0.236 267 G HA3 0.267 4.227 3.960 0.002 0.000 0.236 267 G C -0.159 174.711 174.900 -0.051 0.000 1.293 267 G CA 0.186 45.265 45.100 -0.036 0.000 0.869 267 G HN 0.334 nan 8.290 nan 0.000 0.556 268 T N -0.312 114.231 114.554 -0.017 0.000 2.895 268 T HA 0.523 4.874 4.350 0.002 0.000 0.283 268 T C 0.691 175.393 174.700 0.003 0.000 1.014 268 T CA -0.284 61.814 62.100 -0.003 0.000 1.037 268 T CB 1.366 70.252 68.868 0.029 0.000 1.006 268 T HN 0.680 nan 8.240 nan 0.000 0.468 269 S N 2.263 117.971 115.700 0.013 0.000 2.568 269 S HA 0.126 4.597 4.470 0.002 0.000 0.282 269 S C 1.127 175.754 174.600 0.044 0.000 1.338 269 S CA -0.097 58.121 58.200 0.030 0.000 1.045 269 S CB -0.205 63.024 63.200 0.047 0.000 0.873 269 S HN 0.833 nan 8.310 nan 0.000 0.516 270 N N 1.892 120.620 118.700 0.047 0.000 2.356 270 N HA 0.311 5.052 4.740 0.002 0.000 0.178 270 N C 0.829 176.378 175.510 0.066 0.000 1.075 270 N CA 0.213 53.293 53.050 0.050 0.000 0.889 270 N CB 0.226 38.737 38.487 0.041 0.000 0.999 270 N HN 0.862 nan 8.380 nan 0.000 0.464 271 G N 0.627 109.475 108.800 0.079 0.000 2.445 271 G HA2 -0.236 3.725 3.960 0.002 0.000 0.212 271 G HA3 -0.236 3.725 3.960 0.002 0.000 0.212 271 G C 0.233 175.189 174.900 0.093 0.000 1.217 271 G CA -0.467 44.697 45.100 0.106 0.000 1.002 271 G HN 0.024 nan 8.290 nan 0.000 0.574 272 L N 0.368 121.647 121.223 0.093 0.000 2.084 272 L HA 0.121 4.462 4.340 0.002 0.000 0.202 272 L C 3.114 180.008 176.870 0.041 0.000 1.074 272 L CA 0.715 55.576 54.840 0.035 0.000 0.757 272 L CB -0.569 41.474 42.059 -0.026 0.000 0.918 272 L HN 0.533 nan 8.230 nan 0.000 0.444 273 I N 0.708 121.312 120.570 0.058 0.000 2.091 273 I HA -0.213 3.958 4.170 0.002 0.000 0.239 273 I C -0.000 176.132 176.117 0.025 0.000 1.061 273 I CA 2.062 63.386 61.300 0.040 0.000 1.317 273 I CB -2.640 35.384 38.000 0.041 0.000 1.031 273 I HN 0.159 nan 8.210 nan 0.000 0.401 274 P HA -0.174 nan 4.420 nan 0.000 0.216 274 P C 2.152 179.474 177.300 0.036 0.000 1.150 274 P CA 1.474 64.590 63.100 0.027 0.000 0.837 274 P CB -0.155 31.565 31.700 0.033 0.000 0.786 275 M N -1.253 118.380 119.600 0.055 0.000 2.175 275 M HA -0.106 4.375 4.480 0.002 0.000 0.264 275 M C 1.866 178.256 176.300 0.150 0.000 1.063 275 M CA 1.690 57.047 55.300 0.094 0.000 1.119 275 M CB -0.494 32.166 32.600 0.100 0.000 1.377 275 M HN -0.152 nan 8.290 nan 0.000 0.415 276 I N -0.191 120.416 120.570 0.062 0.000 2.208 276 I HA -0.351 3.820 4.170 0.002 0.000 0.245 276 I C 2.567 178.696 176.117 0.019 0.000 1.097 276 I CA 1.379 62.690 61.300 0.018 0.000 1.363 276 I CB -0.548 37.439 38.000 -0.022 0.000 1.051 276 I HN 0.367 nan 8.210 nan 0.000 0.413 277 R N 0.447 120.948 120.500 0.002 0.000 2.105 277 R HA -0.161 4.180 4.340 0.002 0.000 0.239 277 R C 2.282 178.558 176.300 -0.040 0.000 1.135 277 R CA 1.431 57.516 56.100 -0.026 0.000 0.967 277 R CB -0.126 30.161 30.300 -0.022 0.000 0.861 277 R HN 0.186 nan 8.270 nan 0.000 0.442 278 V N 0.100 119.993 119.914 -0.036 0.000 2.358 278 V HA -0.230 3.891 4.120 0.002 0.000 0.246 278 V C 1.851 177.807 176.094 -0.231 0.000 1.047 278 V CA 1.764 63.981 62.300 -0.140 0.000 1.035 278 V CB -0.486 31.214 31.823 -0.205 0.000 0.658 278 V HN 0.255 nan 8.190 nan 0.000 0.452 279 F N 0.487 120.287 119.950 -0.249 0.000 2.234 279 F HA -0.124 4.404 4.527 0.002 0.000 0.299 279 F C 2.279 177.840 175.800 -0.399 0.000 1.087 279 F CA 1.790 59.562 58.000 -0.381 0.000 1.340 279 F CB -0.559 38.121 39.000 -0.533 0.000 1.031 279 F HN 0.196 nan 8.300 nan 0.000 0.500 280 N N 0.763 119.389 118.700 -0.123 0.000 2.025 280 N HA -0.275 4.466 4.740 0.002 0.000 0.194 280 N C 1.958 177.428 175.510 -0.067 0.000 1.044 280 N CA 1.731 54.714 53.050 -0.112 0.000 0.851 280 N CB -0.502 37.934 38.487 -0.086 0.000 1.036 280 N HN 0.203 nan 8.380 nan 0.000 0.422 281 N N -0.597 118.064 118.700 -0.065 0.000 2.094 281 N HA -0.168 4.573 4.740 0.002 0.000 0.191 281 N C 1.194 176.701 175.510 -0.004 0.000 1.023 281 N CA 1.859 54.886 53.050 -0.038 0.000 0.857 281 N CB -0.501 37.948 38.487 -0.062 0.000 1.013 281 N HN 0.244 nan 8.380 nan 0.000 0.426 282 T N 0.890 115.410 114.554 -0.057 0.000 2.746 282 T HA 0.008 4.359 4.350 0.002 0.000 0.267 282 T C 1.978 176.741 174.700 0.105 0.000 1.039 282 T CA 1.349 63.456 62.100 0.013 0.000 1.142 282 T CB -0.479 68.316 68.868 -0.122 0.000 0.866 282 T HN 0.514 nan 8.240 nan 0.000 0.444 283 A N 2.240 125.102 122.820 0.071 0.000 1.842 283 A HA -0.215 4.106 4.320 0.002 0.000 0.217 283 A C 2.274 179.940 177.584 0.136 0.000 1.206 283 A CA 1.958 54.098 52.037 0.172 0.000 0.630 283 A CB -0.729 18.379 19.000 0.180 0.000 0.839 283 A HN 0.494 nan 8.150 nan 0.000 0.447 284 R N -2.171 118.388 120.500 0.099 0.000 2.185 284 R HA -0.213 4.128 4.340 0.002 0.000 0.247 284 R C 2.051 178.420 176.300 0.115 0.000 1.159 284 R CA 1.796 57.950 56.100 0.089 0.000 0.988 284 R CB -0.530 29.809 30.300 0.065 0.000 0.871 284 R HN 0.764 nan 8.270 nan 0.000 0.458 285 Y N 1.246 121.552 120.300 0.010 0.000 2.420 285 Y HA 0.012 4.563 4.550 0.001 0.000 0.292 285 Y C 0.929 176.837 175.900 0.014 0.000 1.119 285 Y CA 0.083 58.185 58.100 0.004 0.000 1.229 285 Y CB 0.259 38.713 38.460 -0.011 0.000 1.026 285 Y HN -0.132 nan 8.280 nan 0.000 0.554 297 F N 0.631 120.757 119.950 0.294 0.000 2.467 297 F HA 0.671 5.199 4.527 0.001 0.000 0.336 297 F C 0.674 176.658 175.800 0.306 0.000 1.123 297 F CA 0.316 58.461 58.000 0.242 0.000 0.964 297 F CB 2.180 41.276 39.000 0.160 0.000 1.136 297 F HN 0.922 nan 8.300 nan 0.000 0.447 298 A N 5.557 128.615 122.820 0.396 0.000 2.324 298 A HA 0.852 5.172 4.320 0.002 0.000 0.330 298 A C -1.261 176.504 177.584 0.301 0.000 1.165 298 A CA -0.601 51.650 52.037 0.356 0.000 0.813 298 A CB 0.795 20.025 19.000 0.383 0.000 1.197 298 A HN 0.774 nan 8.150 nan 0.000 0.484 299 L N 1.631 122.946 121.223 0.154 0.000 2.346 299 L HA 0.460 4.801 4.340 0.002 0.000 0.276 299 L C -1.400 175.504 176.870 0.057 0.000 1.006 299 L CA -0.518 54.415 54.840 0.156 0.000 0.817 299 L CB 1.577 43.755 42.059 0.197 0.000 1.272 299 L HN 0.709 nan 8.230 nan 0.000 0.421 300 Y N 3.800 124.084 120.300 -0.025 0.000 2.328 300 Y HA 0.583 5.134 4.550 0.001 0.000 0.337 300 Y C -0.291 175.415 175.900 -0.323 0.000 0.966 300 Y CA -0.332 57.718 58.100 -0.084 0.000 1.136 300 Y CB 1.692 40.044 38.460 -0.179 0.000 1.170 300 Y HN 0.348 nan 8.280 nan 0.000 0.470 301 L N 3.651 124.782 121.223 -0.154 0.000 2.408 301 L HA 0.440 4.781 4.340 0.002 0.000 0.268 301 L C -0.741 176.100 176.870 -0.049 0.000 0.986 301 L CA -0.822 53.813 54.840 -0.342 0.000 0.820 301 L CB 2.180 43.502 42.059 -1.228 0.000 1.303 301 L HN 0.634 nan 8.230 nan 0.000 0.411 302 E N 5.040 125.209 120.200 -0.052 0.000 2.316 302 E HA 0.120 4.471 4.350 0.002 0.000 0.275 302 E C -1.652 174.623 176.600 -0.542 0.000 1.029 302 E CA -1.569 54.616 56.400 -0.358 0.000 0.871 302 E CB 1.059 30.426 29.700 -0.555 0.000 1.022 302 E HN 0.359 nan 8.360 nan 0.000 0.418 303 P HA -0.137 nan 4.420 nan 0.000 0.239 303 P C 0.479 177.922 177.300 0.239 0.000 1.184 303 P CA 0.836 63.766 63.100 -0.285 0.000 0.760 303 P CB -0.089 31.126 31.700 -0.807 0.000 0.884 304 W N -1.458 120.191 121.300 0.582 0.000 3.256 304 W HA 0.154 4.814 4.660 0.001 0.000 0.269 304 W C 0.337 177.054 176.519 0.330 0.000 1.310 304 W CA -0.518 57.129 57.345 0.503 0.000 1.673 304 W CB -1.536 28.230 29.460 0.510 0.000 1.115 304 W HN -0.013 nan 8.180 nan 0.000 0.686 305 H N 1.723 120.738 119.070 -0.091 0.000 2.803 305 H HA 0.254 4.811 4.556 0.002 0.000 0.330 305 H C 1.186 176.587 175.328 0.122 0.000 1.057 305 H CA 0.994 57.026 56.048 -0.026 0.000 1.458 305 H CB 2.025 31.578 29.762 -0.347 0.000 1.470 305 H HN 0.078 nan 8.280 nan 0.000 0.560 306 A N 4.226 127.007 122.820 -0.065 0.000 2.015 306 A HA -0.126 4.194 4.320 0.002 0.000 0.219 306 A C 1.475 179.193 177.584 0.224 0.000 1.163 306 A CA 1.221 53.313 52.037 0.093 0.000 0.646 306 A CB 0.051 19.065 19.000 0.022 0.000 0.806 306 A HN 0.741 nan 8.150 nan 0.000 0.448 307 D N -0.427 120.200 120.400 0.379 0.000 2.324 307 D HA 0.026 4.667 4.640 0.002 0.000 0.235 307 D C 1.255 177.720 176.300 0.275 0.000 1.095 307 D CA 0.020 54.216 54.000 0.326 0.000 0.871 307 D CB 0.038 41.015 40.800 0.296 0.000 0.906 307 D HN 0.423 nan 8.370 nan 0.000 0.522 308 I N -0.123 120.589 120.570 0.237 0.000 2.264 308 I HA -0.252 3.919 4.170 0.002 0.000 0.248 308 I C 1.646 177.813 176.117 0.084 0.000 1.111 308 I CA 1.203 62.564 61.300 0.101 0.000 1.382 308 I CB -0.175 37.805 38.000 -0.033 0.000 1.060 308 I HN -0.138 nan 8.210 nan 0.000 0.418 309 F N 0.509 120.546 119.950 0.145 0.000 2.171 309 F HA -0.204 4.323 4.527 0.001 0.000 0.300 309 F C 2.267 178.117 175.800 0.083 0.000 1.090 309 F CA 1.589 59.655 58.000 0.110 0.000 1.293 309 F CB -0.471 38.595 39.000 0.110 0.000 1.013 309 F HN 0.117 nan 8.300 nan 0.000 0.486 310 D N -0.855 119.704 120.400 0.264 0.000 2.162 310 D HA -0.132 4.509 4.640 0.002 0.000 0.203 310 D C 1.981 178.334 176.300 0.088 0.000 0.967 310 D CA 0.699 54.791 54.000 0.155 0.000 0.840 310 D CB -0.479 40.407 40.800 0.142 0.000 0.972 310 D HN 0.220 nan 8.370 nan 0.000 0.482 311 F N 2.060 121.990 119.950 -0.033 0.000 2.134 311 F HA -0.115 4.412 4.527 0.001 0.000 0.299 311 F C 2.057 177.768 175.800 -0.149 0.000 1.097 311 F CA 1.117 59.052 58.000 -0.108 0.000 1.264 311 F CB -0.324 38.592 39.000 -0.140 0.000 1.001 311 F HN -0.063 nan 8.300 nan 0.000 0.479 312 I N -1.992 118.473 120.570 -0.176 0.000 2.916 312 I HA -0.094 4.077 4.170 0.002 0.000 0.267 312 I C 0.653 176.592 176.117 -0.296 0.000 1.263 312 I CA 1.294 62.399 61.300 -0.324 0.000 1.471 312 I CB -0.669 37.223 38.000 -0.180 0.000 1.089 312 I HN -0.030 nan 8.210 nan 0.000 0.468 313 D N 0.894 121.174 120.400 -0.199 0.000 2.340 313 D HA 0.127 4.768 4.640 0.002 0.000 0.217 313 D C 1.988 178.159 176.300 -0.214 0.000 1.081 313 D CA 0.051 53.961 54.000 -0.151 0.000 0.842 313 D CB 0.311 41.089 40.800 -0.036 0.000 0.934 313 D HN 0.220 nan 8.370 nan 0.000 0.511 314 I N 0.805 121.187 120.570 -0.313 0.000 2.236 314 I HA -0.244 3.927 4.170 0.002 0.000 0.249 314 I C 1.717 177.658 176.117 -0.294 0.000 1.102 314 I CA 1.428 62.536 61.300 -0.321 0.000 1.365 314 I CB -0.324 37.407 38.000 -0.449 0.000 1.051 314 I HN 0.012 nan 8.210 nan 0.000 0.420 315 R N 0.035 120.353 120.500 -0.304 0.000 2.426 315 R HA 0.113 4.454 4.340 0.002 0.000 0.263 315 R C 0.455 176.642 176.300 -0.188 0.000 0.961 315 R CA -0.174 55.767 56.100 -0.265 0.000 1.086 315 R CB 0.252 30.371 30.300 -0.302 0.000 1.186 315 R HN 0.272 nan 8.270 nan 0.000 0.537 316 K N 0.858 121.148 120.400 -0.182 0.000 2.295 316 K HA 0.025 4.346 4.320 0.002 0.000 0.270 316 K C 0.606 177.103 176.600 -0.173 0.000 1.011 316 K CA 0.024 56.224 56.287 -0.145 0.000 0.953 316 K CB 0.746 33.162 32.500 -0.140 0.000 0.956 316 K HN 0.123 nan 8.250 nan 0.000 0.477 317 N N 1.188 119.847 118.700 -0.069 0.000 2.333 317 N HA -0.119 4.622 4.740 0.002 0.000 0.178 317 N C 0.992 176.482 175.510 -0.034 0.000 1.018 317 N CA 0.479 53.506 53.050 -0.038 0.000 0.882 317 N CB 0.151 38.649 38.487 0.019 0.000 0.984 317 N HN 0.561 nan 8.380 nan 0.000 0.434 318 H N -0.790 118.264 119.070 -0.027 0.000 2.682 318 H HA 0.253 4.810 4.556 0.002 0.000 0.293 318 H C 0.675 175.991 175.328 -0.020 0.000 1.080 318 H CA -0.178 55.859 56.048 -0.019 0.000 1.189 318 H CB -0.864 28.890 29.762 -0.012 0.000 1.311 318 H HN -0.032 nan 8.280 nan 0.000 0.599 319 G N 1.696 110.338 108.800 -0.262 0.000 2.417 319 G HA2 -0.214 3.747 3.960 0.002 0.000 0.285 319 G HA3 -0.214 3.747 3.960 0.002 0.000 0.285 319 G C -0.250 174.581 174.900 -0.116 0.000 0.715 319 G CA -0.306 44.658 45.100 -0.227 0.000 1.206 319 G HN 0.576 nan 8.290 nan 0.000 0.292 320 K N 3.023 123.363 120.400 -0.101 0.000 2.110 320 K HA 0.044 4.365 4.320 0.002 0.000 0.260 320 K C 1.410 177.988 176.600 -0.035 0.000 1.126 320 K CA -0.171 56.100 56.287 -0.026 0.000 1.005 320 K CB 0.406 32.917 32.500 0.019 0.000 1.336 320 K HN 0.698 nan 8.250 nan 0.000 0.369 321 E N 2.402 122.582 120.200 -0.033 0.000 2.914 321 E HA -0.426 3.925 4.350 0.002 0.000 0.218 321 E C 1.158 177.735 176.600 -0.039 0.000 0.897 321 E CA 2.916 59.295 56.400 -0.034 0.000 1.465 321 E CB -0.079 29.608 29.700 -0.021 0.000 1.468 321 E HN 0.785 nan 8.360 nan 0.000 0.462 322 E N 0.057 120.241 120.200 -0.027 0.000 2.347 322 E HA -0.072 4.279 4.350 0.002 0.000 0.196 322 E C 2.025 178.609 176.600 -0.027 0.000 1.008 322 E CA 1.257 57.643 56.400 -0.023 0.000 0.852 322 E CB -0.209 29.484 29.700 -0.012 0.000 0.783 322 E HN 0.365 nan 8.360 nan 0.000 0.505 323 I N 0.354 120.904 120.570 -0.033 0.000 3.883 323 I HA 0.081 4.252 4.170 0.002 0.000 0.326 323 I C 0.631 176.711 176.117 -0.061 0.000 1.283 323 I CA -0.112 61.170 61.300 -0.030 0.000 1.161 323 I CB 0.088 38.083 38.000 -0.009 0.000 1.012 323 I HN -0.047 nan 8.210 nan 0.000 0.421 324 R N 1.162 121.610 120.500 -0.086 0.000 2.562 324 R HA 0.806 5.147 4.340 0.002 0.000 0.217 324 R C -0.346 175.887 176.300 -0.112 0.000 1.234 324 R CA -0.151 55.877 56.100 -0.120 0.000 1.027 324 R CB -0.114 30.102 30.300 -0.140 0.000 1.525 324 R HN -0.015 nan 8.270 nan 0.000 0.527 325 A N 0.876 123.614 122.820 -0.136 0.000 0.997 325 A HA 0.177 4.498 4.320 0.002 0.000 0.195 325 A C -0.749 176.731 177.584 -0.173 0.000 0.983 325 A CA -0.601 51.357 52.037 -0.132 0.000 0.682 325 A CB 0.246 19.175 19.000 -0.118 0.000 0.541 325 A HN 0.455 nan 8.150 nan 0.000 0.351 326 R N 1.175 121.583 120.500 -0.154 0.000 2.598 326 R HA 0.578 4.919 4.340 0.002 0.000 0.279 326 R C -0.316 175.885 176.300 -0.165 0.000 0.984 326 R CA -0.181 55.806 56.100 -0.188 0.000 0.999 326 R CB 0.846 31.052 30.300 -0.157 0.000 1.114 326 R HN 0.696 nan 8.270 nan 0.000 0.493 327 D N 0.538 120.784 120.400 -0.257 0.000 3.076 327 D HA -0.168 4.473 4.640 0.002 0.000 0.218 327 D C -0.732 175.488 176.300 -0.134 0.000 1.156 327 D CA 1.022 54.895 54.000 -0.212 0.000 0.921 327 D CB -0.547 40.261 40.800 0.013 0.000 1.113 327 D HN 0.263 nan 8.370 nan 0.000 0.418 328 L N -0.222 120.846 121.223 -0.258 0.000 2.322 328 L HA 0.516 4.857 4.340 0.002 0.000 0.279 328 L C 0.287 176.891 176.870 -0.443 0.000 1.036 328 L CA -0.444 54.316 54.840 -0.133 0.000 0.807 328 L CB 0.880 42.855 42.059 -0.141 0.000 1.226 328 L HN -0.188 nan 8.230 nan 0.000 0.433 329 F N 2.896 122.795 119.950 -0.086 0.000 2.477 329 F HA 0.412 4.940 4.527 0.001 0.000 0.335 329 F C -2.059 173.472 175.800 -0.447 0.000 1.130 329 F CA -2.198 55.622 58.000 -0.300 0.000 0.948 329 F CB 1.747 40.631 39.000 -0.194 0.000 1.154 329 F HN 0.245 nan 8.300 nan 0.000 0.439 330 P HA 0.428 nan 4.420 nan 0.000 0.285 330 P C -1.288 175.651 177.300 -0.601 0.000 1.259 330 P CA -0.321 62.359 63.100 -0.700 0.000 0.794 330 P CB 1.678 32.645 31.700 -1.221 0.000 0.940 331 A N 4.156 126.757 122.820 -0.365 0.000 2.393 331 A HA 0.650 4.971 4.320 0.002 0.000 0.306 331 A C -0.748 176.728 177.584 -0.180 0.000 1.050 331 A CA -0.828 50.957 52.037 -0.419 0.000 0.724 331 A CB 0.877 19.316 19.000 -0.934 0.000 1.248 331 A HN 0.468 nan 8.150 nan 0.000 0.424 332 L N 2.059 123.249 121.223 -0.054 0.000 2.307 332 L HA 0.342 4.683 4.340 0.002 0.000 0.282 332 L C -0.311 176.676 176.870 0.196 0.000 1.051 332 L CA -0.278 54.579 54.840 0.029 0.000 0.804 332 L CB 1.320 43.319 42.059 -0.100 0.000 1.197 332 L HN 0.824 nan 8.230 nan 0.000 0.431 333 W N 6.493 127.791 121.300 -0.002 0.000 2.296 333 W HA 0.439 5.101 4.660 0.002 0.000 0.333 333 W C -1.024 175.452 176.519 -0.072 0.000 0.931 333 W CA -0.715 56.663 57.345 0.055 0.000 1.538 333 W CB 0.796 30.360 29.460 0.174 0.000 1.417 333 W HN 0.399 nan 8.180 nan 0.000 0.380 334 I N 8.190 128.644 120.570 -0.192 0.000 2.352 334 I HA 0.156 4.327 4.170 0.002 0.000 0.290 334 I C -1.602 174.419 176.117 -0.160 0.000 1.036 334 I CA -1.894 59.309 61.300 -0.162 0.000 1.336 334 I CB 1.136 39.088 38.000 -0.081 0.000 1.407 334 I HN 0.081 nan 8.210 nan 0.000 0.497 335 P HA 0.140 nan 4.420 nan 0.000 0.277 335 P C -0.265 177.040 177.300 0.009 0.000 1.240 335 P CA -0.304 62.699 63.100 -0.163 0.000 0.798 335 P CB 1.256 32.723 31.700 -0.389 0.000 0.979 336 D N 1.134 121.587 120.400 0.089 0.000 2.116 336 D HA -0.165 4.476 4.640 0.002 0.000 0.193 336 D C 1.910 178.273 176.300 0.106 0.000 0.998 336 D CA 1.106 55.220 54.000 0.189 0.000 0.836 336 D CB -0.503 40.496 40.800 0.331 0.000 0.951 336 D HN 0.324 nan 8.370 nan 0.000 0.449 337 L N -0.105 121.256 121.223 0.231 0.000 2.064 337 L HA -0.262 4.079 4.340 0.002 0.000 0.216 337 L C 2.349 179.302 176.870 0.140 0.000 1.077 337 L CA 1.355 56.357 54.840 0.271 0.000 0.766 337 L CB -0.329 42.002 42.059 0.453 0.000 0.890 337 L HN 0.022 nan 8.230 nan 0.000 0.435 338 F N 0.004 119.834 119.950 -0.200 0.000 2.102 338 F HA -0.300 4.229 4.527 0.003 0.000 0.298 338 F C 2.497 177.964 175.800 -0.555 0.000 1.105 338 F CA 1.628 59.214 58.000 -0.690 0.000 1.239 338 F CB -0.195 38.269 39.000 -0.893 0.000 0.991 338 F HN 0.023 nan 8.300 nan 0.000 0.474 339 M N 0.410 119.573 119.600 -0.729 0.000 2.117 339 M HA -0.194 4.287 4.480 0.002 0.000 0.262 339 M C 2.062 177.941 176.300 -0.703 0.000 1.065 339 M CA 1.569 56.167 55.300 -1.169 0.000 1.114 339 M CB -1.242 29.959 32.600 -2.331 0.000 1.361 339 M HN 0.158 nan 8.290 nan 0.000 0.408 340 K N -0.503 119.661 120.400 -0.393 0.000 1.985 340 K HA -0.132 4.189 4.320 0.002 0.000 0.210 340 K C 2.107 178.641 176.600 -0.109 0.000 1.047 340 K CA 0.990 57.233 56.287 -0.074 0.000 0.932 340 K CB -0.196 32.355 32.500 0.084 0.000 0.716 340 K HN 0.177 nan 8.250 nan 0.000 0.439 341 R N 0.803 121.234 120.500 -0.114 0.000 2.096 341 R HA -0.137 4.204 4.340 0.002 0.000 0.240 341 R C 2.354 178.529 176.300 -0.208 0.000 1.139 341 R CA 1.145 57.205 56.100 -0.066 0.000 0.952 341 R CB -1.236 29.125 30.300 0.102 0.000 0.854 341 R HN 0.106 nan 8.270 nan 0.000 0.436 342 V N 1.852 121.483 119.914 -0.473 0.000 2.332 342 V HA -0.252 3.869 4.120 0.002 0.000 0.248 342 V C 2.533 178.395 176.094 -0.388 0.000 1.055 342 V CA 2.263 64.249 62.300 -0.522 0.000 1.038 342 V CB -0.613 30.662 31.823 -0.915 0.000 0.651 342 V HN 0.514 nan 8.190 nan 0.000 0.450 343 E N 0.507 120.524 120.200 -0.304 0.000 2.158 343 E HA -0.210 4.141 4.350 0.002 0.000 0.191 343 E C 1.743 178.227 176.600 -0.194 0.000 0.982 343 E CA 1.178 57.372 56.400 -0.343 0.000 0.823 343 E CB -0.286 29.211 29.700 -0.339 0.000 0.766 343 E HN 0.712 nan 8.360 nan 0.000 0.468 344 E N 0.813 120.947 120.200 -0.111 0.000 2.516 344 E HA -0.071 4.280 4.350 0.002 0.000 0.199 344 E C 0.078 176.647 176.600 -0.051 0.000 1.069 344 E CA 0.150 56.516 56.400 -0.057 0.000 0.876 344 E CB -0.208 29.485 29.700 -0.012 0.000 0.843 344 E HN 0.208 nan 8.360 nan 0.000 0.530 345 N N 0.521 119.172 118.700 -0.081 0.000 2.727 345 N HA -0.151 4.590 4.740 0.002 0.000 0.249 345 N C -0.234 175.281 175.510 0.007 0.000 1.048 345 N CA 0.819 53.843 53.050 -0.043 0.000 0.714 345 N CB -1.104 37.363 38.487 -0.033 0.000 0.959 345 N HN 0.342 nan 8.380 nan 0.000 0.544 346 G N -1.445 107.369 108.800 0.024 0.000 2.641 346 G HA2 0.589 4.550 3.960 0.002 0.000 0.239 346 G HA3 0.589 4.550 3.960 0.002 0.000 0.239 346 G C 0.014 174.996 174.900 0.135 0.000 1.402 346 G CA 0.231 45.376 45.100 0.076 0.000 1.046 346 G HN 0.493 nan 8.290 nan 0.000 0.565 347 T N -2.824 111.836 114.554 0.175 0.000 2.927 347 T HA 0.528 4.879 4.350 0.002 0.000 0.281 347 T C -0.899 174.053 174.700 0.419 0.000 0.998 347 T CA -0.682 61.562 62.100 0.240 0.000 1.019 347 T CB 1.986 70.955 68.868 0.168 0.000 1.061 347 T HN 0.573 nan 8.240 nan 0.000 0.518 348 W N 1.191 122.613 121.300 0.204 0.000 3.097 348 W HA 0.403 5.063 4.660 -0.000 0.000 0.335 348 W C -1.588 175.069 176.519 0.230 0.000 1.114 348 W CA -0.771 56.755 57.345 0.302 0.000 1.231 348 W CB 2.341 32.041 29.460 0.401 0.000 1.388 348 W HN 0.739 nan 8.180 nan 0.000 0.485 349 T N 6.266 120.559 114.554 -0.435 0.000 2.794 349 T HA 0.446 4.797 4.350 0.002 0.000 0.280 349 T C 0.050 174.284 174.700 -0.777 0.000 0.987 349 T CA -0.465 61.270 62.100 -0.608 0.000 0.993 349 T CB 1.222 69.590 68.868 -0.834 0.000 0.939 349 T HN 0.220 nan 8.240 nan 0.000 0.449 350 L N 4.115 125.053 121.223 -0.474 0.000 2.290 350 L HA 0.549 4.890 4.340 0.002 0.000 0.284 350 L C -0.668 175.955 176.870 -0.411 0.000 1.078 350 L CA -0.516 54.195 54.840 -0.215 0.000 0.815 350 L CB 0.288 42.370 42.059 0.039 0.000 1.162 350 L HN 0.567 nan 8.230 nan 0.000 0.435 351 F N 0.337 120.368 119.950 0.135 0.000 2.598 351 F HA 0.442 4.970 4.527 0.002 0.000 0.327 351 F C 0.475 176.296 175.800 0.035 0.000 1.057 351 F CA -0.768 57.246 58.000 0.023 0.000 0.957 351 F CB 2.032 40.966 39.000 -0.110 0.000 1.278 351 F HN 0.322 nan 8.300 nan 0.000 0.484 352 S N 2.292 118.104 115.700 0.186 0.000 2.489 352 S HA 0.364 4.835 4.470 0.002 0.000 0.291 352 S C -1.734 172.934 174.600 0.114 0.000 1.151 352 S CA -1.819 56.420 58.200 0.065 0.000 1.082 352 S CB 1.248 64.473 63.200 0.042 0.000 1.019 352 S HN 0.365 nan 8.310 nan 0.000 0.492 353 P HA -0.087 nan 4.420 nan 0.000 0.221 353 P C 1.332 178.664 177.300 0.053 0.000 1.145 353 P CA 1.282 64.498 63.100 0.195 0.000 0.795 353 P CB -0.524 31.387 31.700 0.351 0.000 0.775 354 T N -3.407 111.179 114.554 0.053 0.000 2.985 354 T HA 0.001 4.352 4.350 0.002 0.000 0.266 354 T C 1.851 176.515 174.700 -0.059 0.000 1.076 354 T CA 1.064 63.175 62.100 0.019 0.000 1.135 354 T CB -0.977 67.928 68.868 0.062 0.000 0.890 354 T HN 0.036 nan 8.240 nan 0.000 0.480 355 S N 1.398 117.043 115.700 -0.091 0.000 2.501 355 S HA 0.535 5.006 4.470 0.002 0.000 0.220 355 S C 1.169 175.494 174.600 -0.459 0.000 0.997 355 S CA 0.178 58.270 58.200 -0.180 0.000 0.919 355 S CB 0.132 63.278 63.200 -0.090 0.000 0.778 355 S HN 0.761 nan 8.310 nan 0.000 0.523 356 A N 2.446 124.934 122.820 -0.552 0.000 3.370 356 A HA 0.494 4.815 4.320 0.002 0.000 0.295 356 A C -3.045 174.167 177.584 -0.621 0.000 1.030 356 A CA -1.264 50.071 52.037 -1.169 0.000 0.883 356 A CB 0.471 18.584 19.000 -1.480 0.000 1.191 356 A HN 0.103 nan 8.150 nan 0.000 0.507 357 P HA 0.448 nan 4.420 nan 0.000 0.278 357 P C 0.983 178.327 177.300 0.073 0.000 1.238 357 P CA 1.410 64.481 63.100 -0.049 0.000 0.794 357 P CB 1.468 33.164 31.700 -0.007 0.000 0.955 358 G N 0.982 109.844 108.800 0.103 0.000 2.234 358 G HA2 -0.272 3.689 3.960 0.002 0.000 0.235 358 G HA3 -0.272 3.689 3.960 0.002 0.000 0.235 358 G C 0.795 175.789 174.900 0.155 0.000 0.997 358 G CA 0.103 45.280 45.100 0.128 0.000 0.623 358 G HN 0.422 nan 8.290 nan 0.000 0.514 359 L N 2.288 123.575 121.223 0.107 0.000 2.089 359 L HA -0.076 4.265 4.340 0.002 0.000 0.213 359 L C 2.936 180.046 176.870 0.401 0.000 1.079 359 L CA 3.079 58.023 54.840 0.173 0.000 0.758 359 L CB -1.013 40.806 42.059 -0.400 0.000 0.891 359 L HN 0.872 nan 8.230 nan 0.000 0.433 360 S N -3.140 112.791 115.700 0.385 0.000 2.575 360 S HA 0.044 4.515 4.470 0.002 0.000 0.215 360 S C 1.162 175.906 174.600 0.239 0.000 0.966 360 S CA -0.014 58.370 58.200 0.307 0.000 0.911 360 S CB -0.049 63.297 63.200 0.243 0.000 0.780 360 S HN 0.357 nan 8.310 nan 0.000 0.514 361 D N 1.640 122.184 120.400 0.241 0.000 2.501 361 D HA 0.282 4.923 4.640 0.002 0.000 0.226 361 D C 0.046 176.480 176.300 0.223 0.000 1.198 361 D CA 0.034 54.163 54.000 0.215 0.000 0.830 361 D CB 0.871 41.779 40.800 0.181 0.000 1.014 361 D HN 0.608 nan 8.370 nan 0.000 0.496 362 C N -0.817 118.643 119.300 0.266 0.000 3.288 362 C HA 0.842 5.303 4.460 0.002 0.000 0.318 362 C C -0.843 174.357 174.990 0.350 0.000 1.356 362 C CA -1.222 57.958 59.018 0.268 0.000 1.359 362 C CB 0.926 28.763 27.740 0.162 0.000 1.688 362 C HN 0.225 nan 8.230 nan 0.000 0.467 363 Y N -0.509 119.865 120.300 0.123 0.000 2.715 363 Y HA 0.868 5.419 4.550 0.002 0.000 0.331 363 Y C 0.744 176.713 175.900 0.114 0.000 1.197 363 Y CA -0.152 57.980 58.100 0.052 0.000 1.079 363 Y CB 0.433 38.877 38.460 -0.027 0.000 1.298 363 Y HN 2.109 nan 8.280 nan 0.000 0.477 364 G N 1.119 109.961 108.800 0.070 0.000 2.652 364 G HA2 -0.378 3.583 3.960 0.002 0.000 0.318 364 G HA3 -0.378 3.583 3.960 0.002 0.000 0.318 364 G C 0.317 175.242 174.900 0.043 0.000 1.295 364 G CA 1.089 46.195 45.100 0.010 0.000 0.999 364 G HN 0.820 nan 8.290 nan 0.000 0.548 365 D N 0.314 120.681 120.400 -0.055 0.000 2.144 365 D HA -0.026 4.615 4.640 0.002 0.000 0.200 365 D C 2.125 178.401 176.300 -0.040 0.000 0.978 365 D CA 1.348 55.332 54.000 -0.027 0.000 0.833 365 D CB -0.368 40.401 40.800 -0.051 0.000 0.961 365 D HN 0.653 nan 8.370 nan 0.000 0.470 366 E N -0.142 120.007 120.200 -0.085 0.000 2.085 366 E HA -0.195 4.156 4.350 0.002 0.000 0.194 366 E C 1.985 178.576 176.600 -0.014 0.000 0.994 366 E CA 0.632 56.989 56.400 -0.071 0.000 0.801 366 E CB -0.173 29.470 29.700 -0.097 0.000 0.743 366 E HN 0.259 nan 8.360 nan 0.000 0.453 367 F N 1.757 121.661 119.950 -0.077 0.000 2.171 367 F HA -0.130 4.398 4.527 0.001 0.000 0.300 367 F C 1.937 177.746 175.800 0.015 0.000 1.090 367 F CA 1.454 59.445 58.000 -0.015 0.000 1.293 367 F CB 0.048 39.076 39.000 0.047 0.000 1.013 367 F HN -0.017 nan 8.300 nan 0.000 0.486 368 E N 0.449 120.608 120.200 -0.069 0.000 2.106 368 E HA -0.149 4.202 4.350 0.002 0.000 0.192 368 E C 2.396 178.906 176.600 -0.149 0.000 0.984 368 E CA 0.875 57.200 56.400 -0.124 0.000 0.806 368 E CB -0.366 29.370 29.700 0.059 0.000 0.750 368 E HN 0.540 nan 8.360 nan 0.000 0.458 369 A N 1.473 124.207 122.820 -0.143 0.000 1.873 369 A HA -0.145 4.176 4.320 0.002 0.000 0.215 369 A C 2.179 179.597 177.584 -0.275 0.000 1.186 369 A CA 0.867 52.807 52.037 -0.161 0.000 0.616 369 A CB -0.562 18.359 19.000 -0.130 0.000 0.823 369 A HN 0.183 nan 8.150 nan 0.000 0.442 370 L N -1.662 119.348 121.223 -0.355 0.000 2.012 370 L HA -0.157 4.184 4.340 0.002 0.000 0.210 370 L C 2.294 178.709 176.870 -0.758 0.000 1.073 370 L CA 2.264 56.753 54.840 -0.585 0.000 0.748 370 L CB -0.972 40.803 42.059 -0.475 0.000 0.891 370 L HN 0.523 nan 8.230 nan 0.000 0.431 371 Y N -0.008 119.839 120.300 -0.755 0.000 2.070 371 Y HA -0.312 4.239 4.550 0.001 0.000 0.280 371 Y C 2.628 178.332 175.900 -0.326 0.000 1.148 371 Y CA 2.529 60.244 58.100 -0.643 0.000 1.125 371 Y CB -0.808 37.115 38.460 -0.894 0.000 0.975 371 Y HN 0.183 nan 8.280 nan 0.000 0.492 372 T N 0.681 115.156 114.554 -0.132 0.000 2.653 372 T HA -0.295 4.056 4.350 0.002 0.000 0.268 372 T C 2.045 176.650 174.700 -0.159 0.000 1.035 372 T CA 1.933 63.977 62.100 -0.093 0.000 1.154 372 T CB -0.361 68.482 68.868 -0.042 0.000 0.862 372 T HN 0.324 nan 8.240 nan 0.000 0.441 373 R N -0.597 119.755 120.500 -0.248 0.000 2.120 373 R HA -0.066 4.275 4.340 0.002 0.000 0.234 373 R C 2.139 178.340 176.300 -0.165 0.000 1.123 373 R CA 1.347 57.309 56.100 -0.229 0.000 0.975 373 R CB -0.317 29.788 30.300 -0.326 0.000 0.866 373 R HN 0.583 nan 8.270 nan 0.000 0.446 374 Y N 0.431 120.544 120.300 -0.311 0.000 2.220 374 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 374 Y C 2.386 178.215 175.900 -0.119 0.000 1.129 374 Y CA 0.776 58.653 58.100 -0.372 0.000 1.161 374 Y CB 0.084 38.001 38.460 -0.906 0.000 0.997 374 Y HN 0.228 nan 8.280 nan 0.000 0.522 375 E N 0.816 121.037 120.200 0.034 0.000 2.012 375 E HA -0.256 4.095 4.350 0.002 0.000 0.197 375 E C 2.003 178.605 176.600 0.003 0.000 1.007 375 E CA 1.542 57.945 56.400 0.006 0.000 0.816 375 E CB -0.182 29.470 29.700 -0.080 0.000 0.762 375 E HN 0.377 nan 8.360 nan 0.000 0.451 376 K N 0.912 121.302 120.400 -0.017 0.000 2.074 376 K HA -0.198 4.123 4.320 0.002 0.000 0.209 376 K C 1.835 178.433 176.600 -0.002 0.000 1.048 376 K CA 1.511 57.790 56.287 -0.013 0.000 0.926 376 K CB -0.081 32.404 32.500 -0.025 0.000 0.713 376 K HN 0.127 nan 8.250 nan 0.000 0.444 377 E N -0.246 119.960 120.200 0.010 0.000 2.515 377 E HA -0.024 4.327 4.350 0.002 0.000 0.201 377 E C 0.471 177.082 176.600 0.017 0.000 1.071 377 E CA 0.253 56.663 56.400 0.016 0.000 0.880 377 E CB -0.028 29.694 29.700 0.036 0.000 0.828 377 E HN 0.481 nan 8.360 nan 0.000 0.540 378 G N 1.867 110.681 108.800 0.022 0.000 2.323 378 G HA2 -0.364 3.597 3.960 0.002 0.000 0.292 378 G HA3 -0.364 3.597 3.960 0.002 0.000 0.292 378 G C 0.656 175.570 174.900 0.023 0.000 1.040 378 G CA 0.606 45.713 45.100 0.012 0.000 0.942 378 G HN 0.307 nan 8.290 nan 0.000 0.506 379 R N -0.671 119.877 120.500 0.080 0.000 2.246 379 R HA 0.303 4.644 4.340 0.002 0.000 0.199 379 R C 1.854 178.247 176.300 0.154 0.000 0.984 379 R CA 1.008 57.158 56.100 0.083 0.000 1.015 379 R CB 0.276 30.553 30.300 -0.038 0.000 0.930 379 R HN 0.526 nan 8.270 nan 0.000 0.475 380 G N 0.097 108.926 108.800 0.048 0.000 3.243 380 G HA2 0.306 4.267 3.960 0.002 0.000 0.248 380 G HA3 0.306 4.267 3.960 0.002 0.000 0.248 380 G C -1.449 173.313 174.900 -0.230 0.000 1.267 380 G CA -0.599 44.365 45.100 -0.227 0.000 0.906 380 G HN 0.015 nan 8.290 nan 0.000 0.592 381 K N 0.418 120.653 120.400 -0.275 0.000 2.483 381 K HA 0.512 4.833 4.320 0.002 0.000 0.256 381 K C -0.888 175.628 176.600 -0.141 0.000 0.961 381 K CA -0.351 55.850 56.287 -0.143 0.000 0.873 381 K CB 1.259 33.722 32.500 -0.061 0.000 1.107 381 K HN 0.297 nan 8.250 nan 0.000 0.432 382 T N 5.276 119.769 114.554 -0.101 0.000 2.870 382 T HA 0.203 4.554 4.350 0.002 0.000 0.300 382 T C -0.147 174.587 174.700 0.056 0.000 0.989 382 T CA -0.217 61.858 62.100 -0.042 0.000 1.139 382 T CB 0.359 69.210 68.868 -0.028 0.000 0.920 382 T HN 0.481 nan 8.240 nan 0.000 0.537 383 I N 1.763 122.420 120.570 0.146 0.000 3.457 383 I HA 0.442 4.613 4.170 0.002 0.000 0.307 383 I C -0.494 175.774 176.117 0.252 0.000 1.138 383 I CA -1.796 59.625 61.300 0.201 0.000 0.974 383 I CB 1.998 40.153 38.000 0.258 0.000 1.324 383 I HN 0.341 nan 8.210 nan 0.000 0.485 384 K N 2.031 122.576 120.400 0.241 0.000 2.312 384 K HA 0.327 4.648 4.320 0.002 0.000 0.287 384 K C 0.833 177.622 176.600 0.314 0.000 1.062 384 K CA 0.233 56.659 56.287 0.232 0.000 0.934 384 K CB 1.016 33.616 32.500 0.167 0.000 1.027 384 K HN 0.661 nan 8.250 nan 0.000 0.478 385 A N 4.207 127.216 122.820 0.314 0.000 1.944 385 A HA -0.303 4.018 4.320 0.002 0.000 0.222 385 A C 1.838 179.559 177.584 0.229 0.000 1.237 385 A CA 1.921 54.114 52.037 0.260 0.000 0.668 385 A CB -0.381 18.637 19.000 0.030 0.000 0.830 385 A HN 0.841 nan 8.150 nan 0.000 0.471 386 Q N -1.375 118.544 119.800 0.198 0.000 2.369 386 Q HA -0.091 4.250 4.340 0.002 0.000 0.206 386 Q C 2.097 178.332 176.000 0.392 0.000 0.963 386 Q CA 1.077 57.047 55.803 0.279 0.000 0.894 386 Q CB -0.066 28.779 28.738 0.179 0.000 0.965 386 Q HN 0.750 nan 8.270 nan 0.000 0.475 387 K N 0.885 121.511 120.400 0.377 0.000 2.025 387 K HA -0.115 4.206 4.320 0.002 0.000 0.207 387 K C 1.995 178.954 176.600 0.598 0.000 1.049 387 K CA 0.717 57.271 56.287 0.445 0.000 0.933 387 K CB -0.027 32.709 32.500 0.393 0.000 0.714 387 K HN 0.213 nan 8.250 nan 0.000 0.438 388 L N 0.473 122.031 121.223 0.558 0.000 2.017 388 L HA -0.234 4.107 4.340 0.002 0.000 0.208 388 L C 2.343 179.401 176.870 0.312 0.000 1.073 388 L CA 1.471 56.459 54.840 0.246 0.000 0.745 388 L CB -0.525 41.658 42.059 0.207 0.000 0.894 388 L HN 0.573 nan 8.230 nan 0.000 0.432 389 W N -0.065 121.396 121.300 0.268 0.000 2.301 389 W HA -0.376 4.286 4.660 0.003 0.000 0.325 389 W C 2.560 179.199 176.519 0.200 0.000 1.250 389 W CA 2.190 59.661 57.345 0.210 0.000 1.261 389 W CB -0.933 28.595 29.460 0.113 0.000 1.157 389 W HN 0.239 nan 8.180 nan 0.000 0.473 390 Y N 1.707 122.138 120.300 0.218 0.000 2.151 390 Y HA -0.333 4.218 4.550 0.003 0.000 0.284 390 Y C 2.865 178.785 175.900 0.033 0.000 1.166 390 Y CA 3.017 61.176 58.100 0.099 0.000 1.163 390 Y CB -0.663 37.904 38.460 0.179 0.000 0.974 390 Y HN -0.173 nan 8.280 nan 0.000 0.511 391 S N 0.367 116.141 115.700 0.123 0.000 2.368 391 S HA -0.184 4.286 4.470 0.002 0.000 0.225 391 S C 1.863 176.370 174.600 -0.156 0.000 1.030 391 S CA 1.334 59.556 58.200 0.037 0.000 0.999 391 S CB -0.374 62.990 63.200 0.274 0.000 0.844 391 S HN 0.400 nan 8.310 nan 0.000 0.459 392 I N 2.078 122.511 120.570 -0.227 0.000 2.069 392 I HA -0.199 3.972 4.170 0.002 0.000 0.237 392 I C 2.282 178.180 176.117 -0.365 0.000 1.053 392 I CA 1.525 62.629 61.300 -0.326 0.000 1.311 392 I CB -1.647 36.086 38.000 -0.445 0.000 1.030 392 I HN 0.290 nan 8.210 nan 0.000 0.398 393 L N 0.216 121.142 121.223 -0.495 0.000 2.079 393 L HA -0.240 4.101 4.340 0.002 0.000 0.210 393 L C 2.607 179.284 176.870 -0.322 0.000 1.081 393 L CA 1.662 56.259 54.840 -0.405 0.000 0.752 393 L CB -0.709 41.087 42.059 -0.438 0.000 0.896 393 L HN 0.403 nan 8.230 nan 0.000 0.433 394 E N 0.287 120.236 120.200 -0.418 0.000 2.077 394 E HA -0.228 4.123 4.350 0.002 0.000 0.193 394 E C 2.223 178.712 176.600 -0.184 0.000 0.989 394 E CA 1.278 57.479 56.400 -0.332 0.000 0.800 394 E CB 0.042 29.512 29.700 -0.385 0.000 0.746 394 E HN 0.460 nan 8.360 nan 0.000 0.452 395 A N 0.577 123.291 122.820 -0.177 0.000 1.897 395 A HA -0.201 4.120 4.320 0.002 0.000 0.215 395 A C 2.045 179.548 177.584 -0.135 0.000 1.181 395 A CA 1.414 53.367 52.037 -0.139 0.000 0.620 395 A CB -0.430 18.473 19.000 -0.163 0.000 0.821 395 A HN 0.297 nan 8.150 nan 0.000 0.443 396 Q N -0.791 118.922 119.800 -0.146 0.000 2.079 396 Q HA -0.116 4.225 4.340 0.002 0.000 0.200 396 Q C 2.072 178.040 176.000 -0.054 0.000 0.974 396 Q CA 1.824 57.569 55.803 -0.097 0.000 0.840 396 Q CB -0.478 28.218 28.738 -0.071 0.000 0.898 396 Q HN 0.623 nan 8.270 nan 0.000 0.430 397 T N 1.185 115.700 114.554 -0.065 0.000 2.803 397 T HA -0.162 4.189 4.350 0.002 0.000 0.269 397 T C 1.272 175.962 174.700 -0.017 0.000 1.052 397 T CA 1.521 63.601 62.100 -0.034 0.000 1.136 397 T CB -0.091 68.746 68.868 -0.051 0.000 0.864 397 T HN 0.381 nan 8.240 nan 0.000 0.467 398 E N 0.173 120.355 120.200 -0.030 0.000 2.251 398 E HA 0.030 4.381 4.350 0.002 0.000 0.194 398 E C 2.104 178.702 176.600 -0.004 0.000 0.964 398 E CA 1.038 57.431 56.400 -0.011 0.000 0.868 398 E CB 0.309 30.003 29.700 -0.010 0.000 0.828 398 E HN 0.549 nan 8.360 nan 0.000 0.481 399 T N -3.448 111.094 114.554 -0.021 0.000 3.058 399 T HA 0.307 4.658 4.350 0.002 0.000 0.278 399 T C 1.479 176.195 174.700 0.027 0.000 0.974 399 T CA 0.331 62.422 62.100 -0.014 0.000 0.893 399 T CB 0.852 69.674 68.868 -0.077 0.000 1.138 399 T HN 0.206 nan 8.240 nan 0.000 0.529 400 G N 1.763 110.582 108.800 0.032 0.000 2.186 400 G HA2 -0.243 3.718 3.960 0.002 0.000 0.266 400 G HA3 -0.243 3.718 3.960 0.002 0.000 0.266 400 G C 0.274 175.159 174.900 -0.025 0.000 0.982 400 G CA 1.040 46.185 45.100 0.074 0.000 0.670 400 G HN 1.488 nan 8.290 nan 0.000 0.533 401 T N -2.835 111.624 114.554 -0.159 0.000 2.883 401 T HA 0.767 5.118 4.350 0.002 0.000 0.296 401 T C -3.239 171.265 174.700 -0.326 0.000 1.117 401 T CA -1.523 60.348 62.100 -0.382 0.000 1.006 401 T CB 3.632 72.171 68.868 -0.550 0.000 1.191 401 T HN 0.037 nan 8.240 nan 0.000 0.508 402 P HA 0.334 nan 4.420 nan 0.000 0.274 402 P C -0.409 176.684 177.300 -0.346 0.000 1.231 402 P CA -0.634 62.165 63.100 -0.501 0.000 0.790 402 P CB 0.315 31.793 31.700 -0.371 0.000 0.951 403 F N -0.371 119.454 119.950 -0.208 0.000 2.485 403 F HA 0.225 4.752 4.527 0.001 0.000 0.327 403 F C 0.925 176.637 175.800 -0.147 0.000 1.203 403 F CA -0.539 57.371 58.000 -0.149 0.000 1.295 403 F CB 0.250 39.197 39.000 -0.089 0.000 1.191 403 F HN -0.050 nan 8.300 nan 0.000 0.588 404 V N 2.414 122.377 119.914 0.081 0.000 2.407 404 V HA 0.389 4.510 4.120 0.002 0.000 0.291 404 V C -0.667 175.301 176.094 -0.211 0.000 1.018 404 V CA -0.658 61.551 62.300 -0.152 0.000 0.842 404 V CB 1.514 33.144 31.823 -0.321 0.000 0.996 404 V HN 0.489 nan 8.190 nan 0.000 0.426 405 V N 5.114 124.931 119.914 -0.161 0.000 2.483 405 V HA 0.418 4.539 4.120 0.002 0.000 0.297 405 V C -0.866 175.011 176.094 -0.361 0.000 1.027 405 V CA -0.925 61.305 62.300 -0.117 0.000 0.855 405 V CB 1.585 33.607 31.823 0.331 0.000 0.995 405 V HN 0.754 nan 8.190 nan 0.000 0.424 406 Y N 3.740 123.967 120.300 -0.122 0.000 2.587 406 Y HA 0.100 4.651 4.550 0.002 0.000 0.344 406 Y C 1.608 177.189 175.900 -0.532 0.000 1.061 406 Y CA 0.089 58.045 58.100 -0.240 0.000 1.370 406 Y CB 0.628 39.065 38.460 -0.037 0.000 1.163 406 Y HN 0.701 nan 8.280 nan 0.000 0.527 407 K N 1.919 121.894 120.400 -0.709 0.000 2.032 407 K HA -0.232 4.089 4.320 0.002 0.000 0.209 407 K C 0.754 177.023 176.600 -0.552 0.000 1.048 407 K CA 2.205 57.780 56.287 -1.187 0.000 0.927 407 K CB 0.093 31.856 32.500 -1.229 0.000 0.712 407 K HN 0.684 nan 8.250 nan 0.000 0.441 408 D N 0.521 120.766 120.400 -0.257 0.000 2.103 408 D HA -0.093 4.548 4.640 0.002 0.000 0.199 408 D C 1.955 178.186 176.300 -0.115 0.000 0.978 408 D CA 1.338 55.297 54.000 -0.068 0.000 0.829 408 D CB -0.366 40.463 40.800 0.047 0.000 0.981 408 D HN 0.381 nan 8.370 nan 0.000 0.464 409 A N 0.694 123.437 122.820 -0.130 0.000 1.927 409 A HA -0.247 4.074 4.320 0.002 0.000 0.220 409 A C 2.558 180.028 177.584 -0.189 0.000 1.185 409 A CA 1.604 53.528 52.037 -0.189 0.000 0.639 409 A CB -1.069 17.851 19.000 -0.133 0.000 0.820 409 A HN 0.354 nan 8.150 nan 0.000 0.451 410 C N -0.908 118.277 119.300 -0.192 0.000 2.466 410 C HA -0.028 4.433 4.460 0.002 0.000 0.278 410 C C 2.725 177.609 174.990 -0.176 0.000 1.288 410 C CA 1.059 59.992 59.018 -0.143 0.000 1.722 410 C CB -1.306 26.346 27.740 -0.145 0.000 2.017 410 C HN 0.651 nan 8.230 nan 0.000 0.488 411 N N 0.102 118.604 118.700 -0.330 0.000 2.251 411 N HA -0.035 4.706 4.740 0.002 0.000 0.181 411 N C 1.989 177.195 175.510 -0.505 0.000 1.019 411 N CA 0.578 53.294 53.050 -0.556 0.000 0.862 411 N CB -0.416 37.376 38.487 -1.158 0.000 0.992 411 N HN 0.497 nan 8.380 nan 0.000 0.429 412 R N 1.358 121.664 120.500 -0.322 0.000 2.120 412 R HA -0.027 4.314 4.340 0.002 0.000 0.234 412 R C 0.211 176.452 176.300 -0.098 0.000 1.123 412 R CA 1.252 57.330 56.100 -0.037 0.000 0.975 412 R CB 0.179 30.499 30.300 0.034 0.000 0.866 412 R HN 0.014 nan 8.270 nan 0.000 0.446 413 K N -0.160 120.150 120.400 -0.150 0.000 3.010 413 K HA 0.141 4.462 4.320 0.002 0.000 0.211 413 K C -0.873 175.699 176.600 -0.047 0.000 1.146 413 K CA -0.196 56.020 56.287 -0.117 0.000 1.070 413 K CB 1.537 33.903 32.500 -0.222 0.000 0.908 413 K HN -0.102 nan 8.250 nan 0.000 0.463 414 S N 0.224 115.887 115.700 -0.061 0.000 2.478 414 S HA 0.176 4.647 4.470 0.002 0.000 0.312 414 S C 0.488 175.075 174.600 -0.021 0.000 1.094 414 S CA -0.735 57.446 58.200 -0.033 0.000 1.081 414 S CB 0.955 64.126 63.200 -0.048 0.000 1.007 414 S HN 0.318 nan 8.310 nan 0.000 0.475 415 N N 3.547 122.252 118.700 0.008 0.000 2.585 415 N HA -0.030 4.711 4.740 0.002 0.000 0.188 415 N C 1.247 176.767 175.510 0.016 0.000 1.102 415 N CA 1.119 54.187 53.050 0.029 0.000 0.920 415 N CB 0.046 38.581 38.487 0.080 0.000 0.963 415 N HN 0.712 nan 8.380 nan 0.000 0.447 416 Q N -0.608 119.178 119.800 -0.024 0.000 2.319 416 Q HA 0.006 4.347 4.340 0.002 0.000 0.202 416 Q C 1.314 177.254 176.000 -0.101 0.000 0.896 416 Q CA 0.035 55.795 55.803 -0.071 0.000 0.942 416 Q CB 0.247 28.925 28.738 -0.100 0.000 1.083 416 Q HN 0.557 nan 8.270 nan 0.000 0.510 417 K N 1.146 121.504 120.400 -0.071 0.000 2.286 417 K HA -0.191 4.130 4.320 0.002 0.000 0.203 417 K C 1.324 177.884 176.600 -0.067 0.000 1.045 417 K CA 1.694 57.940 56.287 -0.068 0.000 0.935 417 K CB -0.246 32.233 32.500 -0.035 0.000 0.737 417 K HN 0.147 nan 8.250 nan 0.000 0.460 418 N N 1.939 120.596 118.700 -0.073 0.000 2.381 418 N HA -0.153 4.588 4.740 0.002 0.000 0.182 418 N C 1.623 177.051 175.510 -0.136 0.000 1.025 418 N CA 1.054 54.059 53.050 -0.075 0.000 0.888 418 N CB -0.455 37.998 38.487 -0.056 0.000 0.965 418 N HN 0.341 nan 8.380 nan 0.000 0.438 419 L N -0.774 120.295 121.223 -0.256 0.000 2.141 419 L HA 0.132 4.473 4.340 0.002 0.000 0.209 419 L C 1.424 177.912 176.870 -0.635 0.000 1.094 419 L CA 0.872 55.397 54.840 -0.526 0.000 0.763 419 L CB -0.819 40.714 42.059 -0.876 0.000 0.908 419 L HN 0.486 nan 8.230 nan 0.000 0.437 420 G N -1.133 107.448 108.800 -0.366 0.000 2.334 420 G HA2 -0.019 3.942 3.960 0.002 0.000 0.315 420 G HA3 -0.019 3.942 3.960 0.002 0.000 0.315 420 G C -1.215 173.717 174.900 0.053 0.000 1.284 420 G CA -0.748 44.280 45.100 -0.120 0.000 0.985 420 G HN -0.233 nan 8.290 nan 0.000 0.504 421 V N 0.769 120.826 119.914 0.238 0.000 2.546 421 V HA 0.461 4.582 4.120 0.002 0.000 0.284 421 V C 0.950 177.206 176.094 0.271 0.000 1.050 421 V CA -0.320 62.108 62.300 0.214 0.000 0.981 421 V CB 1.305 33.272 31.823 0.239 0.000 0.990 421 V HN 0.586 nan 8.190 nan 0.000 0.474 422 I N 4.956 125.640 120.570 0.189 0.000 2.352 422 I HA 0.241 4.412 4.170 0.002 0.000 0.290 422 I C 1.036 177.202 176.117 0.081 0.000 1.036 422 I CA -0.004 61.385 61.300 0.148 0.000 1.336 422 I CB 0.846 38.945 38.000 0.165 0.000 1.407 422 I HN 0.669 nan 8.210 nan 0.000 0.497 423 K N 4.184 124.377 120.400 -0.344 0.000 2.358 423 K HA 0.166 4.487 4.320 0.002 0.000 0.197 423 K C 0.084 175.754 176.600 -1.551 0.000 1.025 423 K CA 0.032 55.867 56.287 -0.753 0.000 1.104 423 K CB 0.315 32.211 32.500 -1.006 0.000 0.855 423 K HN 0.769 nan 8.250 nan 0.000 0.531 424 S N -1.785 112.893 115.700 -1.704 0.000 2.627 424 S HA 0.269 4.740 4.470 0.002 0.000 0.268 424 S C -0.778 172.985 174.600 -1.394 0.000 1.130 424 S CA -0.944 56.066 58.200 -1.984 0.000 0.819 424 S CB 1.515 64.037 63.200 -1.130 0.000 1.100 424 S HN -0.042 nan 8.310 nan 0.000 0.465 425 S N 0.480 115.297 115.700 -1.471 0.000 2.618 425 S HA 0.653 5.124 4.470 0.002 0.000 0.284 425 S C -0.268 174.019 174.600 -0.521 0.000 1.102 425 S CA -0.371 57.480 58.200 -0.581 0.000 0.984 425 S CB 0.324 63.496 63.200 -0.048 0.000 1.280 425 S HN 1.031 nan 8.310 nan 0.000 0.525 426 N N 0.318 118.951 118.700 -0.111 0.000 2.741 426 N HA 0.164 4.905 4.740 0.002 0.000 0.310 426 N C 0.881 176.498 175.510 0.178 0.000 1.295 426 N CA -0.616 52.439 53.050 0.009 0.000 0.893 426 N CB 0.207 38.674 38.487 -0.033 0.000 1.247 426 N HN 0.498 nan 8.380 nan 0.000 0.596 427 L N 0.319 121.619 121.223 0.129 0.000 2.127 427 L HA -0.008 4.333 4.340 0.002 0.000 0.211 427 L C 1.362 178.258 176.870 0.043 0.000 1.089 427 L CA 1.556 56.488 54.840 0.154 0.000 0.757 427 L CB -1.024 41.094 42.059 0.098 0.000 0.899 427 L HN 0.693 nan 8.230 nan 0.000 0.434 428 C N -1.846 117.377 119.300 -0.129 0.000 3.038 428 C HA 0.294 4.755 4.460 0.002 0.000 0.279 428 C C 1.441 176.000 174.990 -0.718 0.000 1.276 428 C CA 0.000 58.683 59.018 -0.559 0.000 1.697 428 C CB -1.806 25.670 27.740 -0.441 0.000 2.032 428 C HN 0.760 nan 8.230 nan 0.000 0.636 429 C N 2.197 121.343 119.300 -0.256 0.000 4.550 429 C HA -0.119 4.342 4.460 0.002 0.000 0.282 429 C C 1.888 176.827 174.990 -0.084 0.000 1.290 429 C CA 1.423 60.376 59.018 -0.108 0.000 1.964 429 C CB -2.531 25.099 27.740 -0.183 0.000 1.284 429 C HN 0.816 nan 8.230 nan 0.000 0.758 430 E N -0.025 120.129 120.200 -0.078 0.000 2.330 430 E HA 0.122 4.473 4.350 0.002 0.000 0.200 430 E C 0.523 177.134 176.600 0.018 0.000 0.922 430 E CA 0.399 56.795 56.400 -0.006 0.000 0.935 430 E CB 0.166 29.875 29.700 0.015 0.000 0.917 430 E HN 0.607 nan 8.360 nan 0.000 0.491 431 I N 3.176 123.742 120.570 -0.006 0.000 2.371 431 I HA 0.180 4.351 4.170 0.002 0.000 0.290 431 I C 0.043 176.159 176.117 -0.002 0.000 1.028 431 I CA -0.670 60.624 61.300 -0.009 0.000 1.345 431 I CB 1.330 39.307 38.000 -0.038 0.000 1.407 431 I HN -0.054 nan 8.210 nan 0.000 0.501 432 V N 7.462 127.388 119.914 0.020 0.000 2.340 432 V HA 0.497 4.618 4.120 0.002 0.000 0.277 432 V C -0.491 175.616 176.094 0.023 0.000 1.017 432 V CA -0.105 62.221 62.300 0.042 0.000 0.820 432 V CB 0.908 32.798 31.823 0.112 0.000 1.028 432 V HN 0.871 nan 8.190 nan 0.000 0.436 433 E N 4.469 124.665 120.200 -0.006 0.000 2.340 433 E HA 0.335 4.686 4.350 0.002 0.000 0.273 433 E C -1.720 174.892 176.600 0.021 0.000 0.891 433 E CA -0.923 55.482 56.400 0.009 0.000 0.757 433 E CB 2.689 32.391 29.700 0.003 0.000 1.231 433 E HN 0.685 nan 8.360 nan 0.000 0.439 434 Y N 2.139 122.385 120.300 -0.089 0.000 2.597 434 Y HA 0.154 4.704 4.550 0.001 0.000 0.336 434 Y C -0.225 175.661 175.900 -0.023 0.000 1.216 434 Y CA 0.253 58.305 58.100 -0.079 0.000 1.463 434 Y CB 0.605 38.980 38.460 -0.142 0.000 1.303 434 Y HN 0.495 nan 8.280 nan 0.000 0.576 435 S N 3.675 118.974 115.700 -0.669 0.000 2.588 435 S HA 0.985 5.456 4.470 0.002 0.000 0.275 435 S C -1.141 173.064 174.600 -0.659 0.000 1.130 435 S CA -0.405 57.511 58.200 -0.474 0.000 0.855 435 S CB 1.711 64.821 63.200 -0.150 0.000 1.116 435 S HN 1.250 nan 8.310 nan 0.000 0.472 436 A N 0.901 123.526 122.820 -0.325 0.000 2.588 436 A HA 0.892 5.213 4.320 0.002 0.000 0.290 436 A C -2.701 174.858 177.584 -0.042 0.000 1.136 436 A CA -1.662 50.281 52.037 -0.158 0.000 0.681 436 A CB 0.043 18.996 19.000 -0.079 0.000 1.282 436 A HN 0.517 nan 8.150 nan 0.000 0.421 437 P HA -0.178 nan 4.420 nan 0.000 0.218 437 P C 0.319 177.628 177.300 0.016 0.000 1.150 437 P CA 2.208 65.316 63.100 0.012 0.000 0.841 437 P CB 0.096 31.819 31.700 0.039 0.000 0.784 438 D N -2.443 117.977 120.400 0.032 0.000 2.479 438 D HA 0.060 4.701 4.640 0.002 0.000 0.218 438 D C -0.052 176.273 176.300 0.041 0.000 1.177 438 D CA -0.000 54.021 54.000 0.036 0.000 0.830 438 D CB -0.208 40.621 40.800 0.047 0.000 1.014 438 D HN 0.134 nan 8.370 nan 0.000 0.503 439 E N -0.035 120.187 120.200 0.037 0.000 2.255 439 E HA 0.313 4.664 4.350 0.002 0.000 0.256 439 E C -1.108 175.505 176.600 0.021 0.000 0.887 439 E CA -0.489 55.945 56.400 0.056 0.000 0.782 439 E CB 1.839 31.631 29.700 0.153 0.000 1.214 439 E HN -0.124 nan 8.360 nan 0.000 0.417 440 T N 2.004 116.584 114.554 0.043 0.000 2.743 440 T HA 0.432 4.783 4.350 0.002 0.000 0.292 440 T C -0.050 174.720 174.700 0.115 0.000 0.972 440 T CA -0.443 61.696 62.100 0.064 0.000 0.967 440 T CB 0.996 69.914 68.868 0.083 0.000 0.926 440 T HN 0.495 nan 8.240 nan 0.000 0.459 441 A N 3.675 126.542 122.820 0.079 0.000 2.371 441 A HA 0.660 4.981 4.320 0.002 0.000 0.257 441 A C -0.021 177.601 177.584 0.063 0.000 1.089 441 A CA -0.422 51.661 52.037 0.075 0.000 0.794 441 A CB 0.363 19.382 19.000 0.032 0.000 1.029 441 A HN 0.669 nan 8.150 nan 0.000 0.488 442 V N 0.385 120.313 119.914 0.023 0.000 2.715 442 V HA 0.390 4.511 4.120 0.002 0.000 0.310 442 V C -0.400 175.622 176.094 -0.121 0.000 1.054 442 V CA -0.652 61.584 62.300 -0.108 0.000 0.928 442 V CB 1.671 33.510 31.823 0.027 0.000 1.007 442 V HN 0.980 nan 8.190 nan 0.000 0.437 443 c N 3.109 121.576 118.600 -0.222 0.000 2.281 443 c HA 0.496 5.067 4.570 0.002 0.000 0.323 443 c C 0.222 174.242 174.090 -0.116 0.000 1.270 443 c CA -1.082 55.164 56.329 -0.138 0.000 1.559 443 c CB -0.570 41.851 42.510 -0.149 0.000 2.239 443 c HN 0.932 nan 8.230 nan 0.000 0.488 444 N N 3.137 121.807 118.700 -0.051 0.000 2.501 444 N HA 0.656 5.396 4.740 0.002 0.000 0.245 444 N C -1.097 174.410 175.510 -0.006 0.000 0.974 444 N CA -0.202 52.837 53.050 -0.018 0.000 0.941 444 N CB 0.708 39.202 38.487 0.010 0.000 1.122 444 N HN 0.545 nan 8.380 nan 0.000 0.507 445 L N 1.485 122.709 121.223 0.001 0.000 2.362 445 L HA 0.964 5.305 4.340 0.002 0.000 0.271 445 L C -0.306 176.550 176.870 -0.025 0.000 1.002 445 L CA -0.967 53.868 54.840 -0.008 0.000 0.818 445 L CB 1.881 43.936 42.059 -0.007 0.000 1.298 445 L HN 0.503 nan 8.230 nan 0.000 0.420 446 A N 1.319 124.090 122.820 -0.081 0.000 2.612 446 A HA 0.844 5.165 4.320 0.002 0.000 0.293 446 A C -1.083 176.455 177.584 -0.078 0.000 1.075 446 A CA -0.488 51.437 52.037 -0.187 0.000 0.680 446 A CB 2.061 20.770 19.000 -0.485 0.000 1.279 446 A HN 0.638 nan 8.150 nan 0.000 0.411 447 S N -0.004 115.684 115.700 -0.019 0.000 2.536 447 S HA 0.719 5.190 4.470 0.002 0.000 0.287 447 S C -0.751 173.921 174.600 0.119 0.000 1.101 447 S CA -0.686 57.543 58.200 0.048 0.000 0.950 447 S CB 1.309 64.552 63.200 0.071 0.000 1.056 447 S HN 1.174 nan 8.310 nan 0.000 0.481 448 V N 2.046 122.028 119.914 0.114 0.000 2.546 448 V HA 0.606 4.727 4.120 0.002 0.000 0.284 448 V C 0.775 176.992 176.094 0.205 0.000 1.050 448 V CA -0.398 62.024 62.300 0.203 0.000 0.981 448 V CB 1.153 33.058 31.823 0.138 0.000 0.990 448 V HN 1.152 nan 8.190 nan 0.000 0.474 449 A N 5.472 128.438 122.820 0.244 0.000 2.666 449 A HA 0.413 4.734 4.320 0.002 0.000 0.312 449 A C 1.196 178.835 177.584 0.090 0.000 1.471 449 A CA -0.326 51.794 52.037 0.138 0.000 1.134 449 A CB -0.365 18.736 19.000 0.169 0.000 1.129 449 A HN 0.923 nan 8.150 nan 0.000 0.539 450 L N 2.114 123.379 121.223 0.070 0.000 2.064 450 L HA -0.194 4.147 4.340 0.002 0.000 0.216 450 L C -0.475 176.456 176.870 0.102 0.000 1.077 450 L CA 1.802 56.731 54.840 0.149 0.000 0.766 450 L CB -1.467 40.580 42.059 -0.021 0.000 0.890 450 L HN 0.424 nan 8.230 nan 0.000 0.435 451 P HA -0.100 nan 4.420 nan 0.000 0.221 451 P C 1.294 178.455 177.300 -0.232 0.000 1.150 451 P CA 1.381 64.327 63.100 -0.257 0.000 0.800 451 P CB -0.045 31.318 31.700 -0.562 0.000 0.787 452 A N -1.770 120.831 122.820 -0.365 0.000 2.272 452 A HA -0.108 4.213 4.320 0.002 0.000 0.213 452 A C 1.227 178.410 177.584 -0.668 0.000 1.183 452 A CA 1.121 52.795 52.037 -0.605 0.000 0.719 452 A CB -1.682 16.750 19.000 -0.946 0.000 0.771 452 A HN 0.206 nan 8.150 nan 0.000 0.484 453 F N -1.201 118.601 119.950 -0.248 0.000 2.682 453 F HA 0.382 4.910 4.527 0.002 0.000 0.308 453 F C 0.487 175.898 175.800 -0.648 0.000 1.093 453 F CA -0.590 57.126 58.000 -0.473 0.000 1.244 453 F CB 0.247 38.785 39.000 -0.769 0.000 1.052 453 F HN -0.032 nan 8.300 nan 0.000 0.573 454 I N 1.459 121.880 120.570 -0.249 0.000 2.588 454 I HA 0.056 4.227 4.170 0.002 0.000 0.283 454 I C -0.136 175.922 176.117 -0.100 0.000 1.119 454 I CA 0.603 61.831 61.300 -0.119 0.000 1.419 454 I CB 0.602 38.592 38.000 -0.016 0.000 1.394 454 I HN 0.108 nan 8.210 nan 0.000 0.562 455 E N 3.936 124.097 120.200 -0.065 0.000 2.263 455 E HA 0.279 4.630 4.350 0.002 0.000 0.268 455 E C -1.240 175.349 176.600 -0.017 0.000 0.884 455 E CA -0.626 55.748 56.400 -0.043 0.000 0.766 455 E CB 2.006 31.681 29.700 -0.043 0.000 1.196 455 E HN 0.443 nan 8.360 nan 0.000 0.416 456 T N 2.173 116.719 114.554 -0.013 0.000 2.891 456 T HA 0.280 4.631 4.350 0.002 0.000 0.315 456 T C -0.039 174.660 174.700 -0.002 0.000 1.054 456 T CA -0.236 61.862 62.100 -0.003 0.000 0.958 456 T CB 0.547 69.415 68.868 -0.001 0.000 1.008 456 T HN 0.162 nan 8.240 nan 0.000 0.521 457 S N 2.310 118.010 115.700 0.001 0.000 2.722 457 S HA 0.218 4.689 4.470 0.002 0.000 0.292 457 S C 0.257 174.859 174.600 0.002 0.000 1.135 457 S CA -1.187 57.014 58.200 0.001 0.000 1.003 457 S CB 0.634 63.836 63.200 0.003 0.000 1.067 457 S HN 0.767 nan 8.310 nan 0.000 0.546 458 E N 1.690 121.891 120.200 0.001 0.000 1.852 458 E HA -0.150 4.201 4.350 0.002 0.000 0.244 458 E C -0.474 176.127 176.600 0.002 0.000 0.575 458 E CA 0.550 56.951 56.400 0.001 0.000 0.826 458 E CB -0.721 28.979 29.700 0.000 0.000 0.903 458 E HN 0.397 nan 8.360 nan 0.000 0.344 459 D N -0.734 119.668 120.400 0.003 0.000 4.961 459 D HA 0.220 4.861 4.640 0.002 0.000 0.369 459 D C 0.572 176.875 176.300 0.005 0.000 1.778 459 D CA 0.246 54.248 54.000 0.004 0.000 1.016 459 D CB -0.507 40.296 40.800 0.005 0.000 1.513 459 D HN 0.226 nan 8.370 nan 0.000 0.667 460 G N -0.293 108.511 108.800 0.006 0.000 2.443 460 G HA2 0.181 4.142 3.960 0.002 0.000 0.188 460 G HA3 0.181 4.142 3.960 0.002 0.000 0.188 460 G C 0.501 175.406 174.900 0.009 0.000 1.654 460 G CA 0.753 45.858 45.100 0.007 0.000 0.685 460 G HN 0.341 nan 8.290 nan 0.000 0.694 461 K N 0.922 121.328 120.400 0.010 0.000 2.374 461 K HA 0.317 4.638 4.320 0.002 0.000 0.196 461 K C 0.133 176.741 176.600 0.012 0.000 1.023 461 K CA 0.213 56.507 56.287 0.012 0.000 1.103 461 K CB 0.056 32.565 32.500 0.013 0.000 0.848 461 K HN 0.126 nan 8.250 nan 0.000 0.528 462 T N 1.262 115.823 114.554 0.012 0.000 2.834 462 T HA 0.182 4.533 4.350 0.002 0.000 0.298 462 T C -0.388 174.322 174.700 0.016 0.000 0.966 462 T CA -0.212 61.896 62.100 0.014 0.000 1.141 462 T CB 0.991 69.868 68.868 0.014 0.000 0.905 462 T HN 0.178 nan 8.240 nan 0.000 0.535 463 S N 2.075 117.788 115.700 0.021 0.000 2.537 463 S HA 0.735 5.206 4.470 0.002 0.000 0.301 463 S C 0.442 175.067 174.600 0.041 0.000 1.092 463 S CA -0.948 57.267 58.200 0.025 0.000 1.048 463 S CB 1.507 64.723 63.200 0.026 0.000 1.053 463 S HN 0.878 nan 8.310 nan 0.000 0.501 464 T N -0.051 114.527 114.554 0.040 0.000 2.883 464 T HA 0.619 4.970 4.350 0.002 0.000 0.284 464 T C -1.544 173.197 174.700 0.068 0.000 1.041 464 T CA -0.630 61.510 62.100 0.067 0.000 1.007 464 T CB 0.880 69.781 68.868 0.054 0.000 1.220 464 T HN 0.465 nan 8.240 nan 0.000 0.552 465 Y N 1.491 121.733 120.300 -0.097 0.000 2.328 465 Y HA 0.452 5.003 4.550 0.002 0.000 0.333 465 Y C -0.025 175.645 175.900 -0.383 0.000 0.958 465 Y CA -1.193 56.719 58.100 -0.313 0.000 1.167 465 Y CB 1.213 39.331 38.460 -0.570 0.000 1.151 465 Y HN 0.702 nan 8.280 nan 0.000 0.470 466 N N 5.892 124.240 118.700 -0.586 0.000 2.671 466 N HA 0.007 4.748 4.740 0.002 0.000 0.274 466 N C 0.221 175.542 175.510 -0.315 0.000 1.188 466 N CA 0.431 53.306 53.050 -0.290 0.000 1.065 466 N CB -0.348 38.072 38.487 -0.112 0.000 1.415 466 N HN 0.690 nan 8.380 nan 0.000 0.511 467 F N 1.501 121.473 119.950 0.036 0.000 2.365 467 F HA -0.044 4.484 4.527 0.002 0.000 0.300 467 F C 2.068 177.981 175.800 0.188 0.000 1.090 467 F CA 0.791 58.873 58.000 0.137 0.000 1.408 467 F CB 0.198 39.325 39.000 0.212 0.000 1.060 467 F HN 0.345 nan 8.300 nan 0.000 0.534 468 K N 0.087 120.657 120.400 0.284 0.000 2.025 468 K HA -0.151 4.170 4.320 0.002 0.000 0.207 468 K C 2.173 178.850 176.600 0.128 0.000 1.049 468 K CA 0.942 57.379 56.287 0.250 0.000 0.933 468 K CB -0.130 32.457 32.500 0.145 0.000 0.714 468 K HN -0.051 nan 8.250 nan 0.000 0.438 469 K N 1.190 121.620 120.400 0.052 0.000 2.097 469 K HA -0.113 4.208 4.320 0.002 0.000 0.206 469 K C 2.117 178.644 176.600 -0.121 0.000 1.049 469 K CA 0.814 57.137 56.287 0.060 0.000 0.933 469 K CB -0.396 32.244 32.500 0.233 0.000 0.717 469 K HN 0.062 nan 8.250 nan 0.000 0.442 470 L N 0.981 121.858 121.223 -0.576 0.000 1.989 470 L HA -0.207 4.134 4.340 0.002 0.000 0.211 470 L C 2.488 179.138 176.870 -0.367 0.000 1.071 470 L CA 1.970 56.228 54.840 -0.971 0.000 0.749 470 L CB -0.785 40.810 42.059 -0.773 0.000 0.890 470 L HN 0.361 nan 8.230 nan 0.000 0.431 471 H N -0.544 118.366 119.070 -0.266 0.000 2.353 471 H HA -0.220 4.337 4.556 0.002 0.000 0.298 471 H C 2.128 177.304 175.328 -0.252 0.000 1.103 471 H CA 2.153 58.003 56.048 -0.329 0.000 1.293 471 H CB 0.241 29.726 29.762 -0.462 0.000 1.372 471 H HN 0.593 nan 8.280 nan 0.000 0.501 472 E N -0.031 120.133 120.200 -0.060 0.000 2.015 472 E HA -0.134 4.217 4.350 0.002 0.000 0.191 472 E C 2.374 178.902 176.600 -0.121 0.000 0.991 472 E CA 0.922 57.284 56.400 -0.063 0.000 0.802 472 E CB 0.061 29.756 29.700 -0.009 0.000 0.759 472 E HN 0.307 nan 8.360 nan 0.000 0.447 473 I N 1.337 121.859 120.570 -0.079 0.000 2.286 473 I HA -0.228 3.943 4.170 0.002 0.000 0.248 473 I C 2.327 178.329 176.117 -0.191 0.000 1.115 473 I CA 1.370 62.639 61.300 -0.052 0.000 1.392 473 I CB -0.518 37.616 38.000 0.224 0.000 1.065 473 I HN 0.147 nan 8.210 nan 0.000 0.418 474 A N -0.283 122.403 122.820 -0.224 0.000 2.015 474 A HA -0.177 4.144 4.320 0.002 0.000 0.219 474 A C 2.278 179.689 177.584 -0.288 0.000 1.163 474 A CA 1.236 53.112 52.037 -0.268 0.000 0.646 474 A CB -0.441 18.395 19.000 -0.273 0.000 0.806 474 A HN 0.302 nan 8.150 nan 0.000 0.448 475 K N -0.258 119.960 120.400 -0.302 0.000 2.097 475 K HA -0.063 4.258 4.320 0.002 0.000 0.205 475 K C 1.922 178.409 176.600 -0.188 0.000 1.050 475 K CA 1.357 57.492 56.287 -0.254 0.000 0.938 475 K CB -0.409 31.947 32.500 -0.240 0.000 0.718 475 K HN 0.385 nan 8.250 nan 0.000 0.442 476 V N 1.233 121.028 119.914 -0.198 0.000 2.270 476 V HA -0.191 3.930 4.120 0.002 0.000 0.245 476 V C 2.450 178.414 176.094 -0.217 0.000 1.043 476 V CA 1.379 63.581 62.300 -0.163 0.000 1.014 476 V CB -0.405 31.335 31.823 -0.137 0.000 0.645 476 V HN -0.007 nan 8.190 nan 0.000 0.447 477 V N 0.078 119.735 119.914 -0.428 0.000 2.407 477 V HA -0.266 3.855 4.120 0.002 0.000 0.248 477 V C 2.564 178.539 176.094 -0.199 0.000 1.055 477 V CA 2.482 64.515 62.300 -0.445 0.000 1.049 477 V CB -1.237 30.231 31.823 -0.592 0.000 0.662 477 V HN 0.621 nan 8.190 nan 0.000 0.455 478 T N -0.150 114.302 114.554 -0.171 0.000 2.720 478 T HA -0.206 4.145 4.350 0.002 0.000 0.268 478 T C 2.068 176.740 174.700 -0.048 0.000 1.037 478 T CA 1.561 63.601 62.100 -0.100 0.000 1.144 478 T CB -0.244 68.555 68.868 -0.114 0.000 0.864 478 T HN 0.460 nan 8.240 nan 0.000 0.444 479 R N 0.988 121.465 120.500 -0.038 0.000 2.066 479 R HA -0.033 4.308 4.340 0.002 0.000 0.232 479 R C 2.437 178.778 176.300 0.069 0.000 1.131 479 R CA 1.326 57.440 56.100 0.023 0.000 0.955 479 R CB -0.432 29.890 30.300 0.037 0.000 0.851 479 R HN 0.350 nan 8.270 nan 0.000 0.432 480 N N 1.199 119.952 118.700 0.089 0.000 2.036 480 N HA -0.177 4.564 4.740 0.002 0.000 0.195 480 N C 1.881 177.429 175.510 0.064 0.000 1.037 480 N CA 1.329 54.425 53.050 0.077 0.000 0.855 480 N CB -0.486 38.136 38.487 0.224 0.000 1.033 480 N HN 0.169 nan 8.380 nan 0.000 0.423 481 L N 0.668 121.937 121.223 0.078 0.000 2.191 481 L HA -0.084 4.257 4.340 0.002 0.000 0.212 481 L C 1.897 178.792 176.870 0.042 0.000 1.103 481 L CA 0.718 55.598 54.840 0.067 0.000 0.769 481 L CB -0.400 41.677 42.059 0.031 0.000 0.908 481 L HN 0.271 nan 8.230 nan 0.000 0.438 482 N N 0.063 118.783 118.700 0.032 0.000 2.084 482 N HA -0.157 4.584 4.740 0.002 0.000 0.190 482 N C 1.933 177.467 175.510 0.040 0.000 1.030 482 N CA 1.081 54.153 53.050 0.037 0.000 0.849 482 N CB -0.030 38.477 38.487 0.033 0.000 1.012 482 N HN 0.328 nan 8.380 nan 0.000 0.423 483 R N 0.950 121.465 120.500 0.024 0.000 2.081 483 R HA -0.041 4.300 4.340 0.002 0.000 0.235 483 R C 2.308 178.611 176.300 0.006 0.000 1.131 483 R CA 0.631 56.737 56.100 0.009 0.000 0.960 483 R CB -1.180 29.091 30.300 -0.047 0.000 0.856 483 R HN 0.121 nan 8.270 nan 0.000 0.436 484 V N 1.966 121.877 119.914 -0.005 0.000 2.380 484 V HA -0.244 3.877 4.120 0.002 0.000 0.251 484 V C 2.460 178.574 176.094 0.034 0.000 1.063 484 V CA 1.666 63.965 62.300 -0.002 0.000 1.055 484 V CB -0.495 31.337 31.823 0.014 0.000 0.657 484 V HN 0.225 nan 8.190 nan 0.000 0.455 485 I N -0.096 120.518 120.570 0.074 0.000 2.226 485 I HA -0.237 3.934 4.170 0.002 0.000 0.245 485 I C 2.258 178.494 176.117 0.198 0.000 1.100 485 I CA 1.731 63.122 61.300 0.152 0.000 1.374 485 I CB -0.456 37.618 38.000 0.123 0.000 1.057 485 I HN 0.345 nan 8.210 nan 0.000 0.413 486 D N 0.464 120.939 120.400 0.125 0.000 2.194 486 D HA -0.075 4.566 4.640 0.002 0.000 0.204 486 D C 2.068 178.439 176.300 0.119 0.000 0.964 486 D CA 1.042 55.118 54.000 0.127 0.000 0.846 486 D CB -0.029 40.822 40.800 0.085 0.000 0.962 486 D HN 0.293 nan 8.370 nan 0.000 0.490 487 R N 0.215 120.757 120.500 0.070 0.000 2.334 487 R HA 0.109 4.450 4.340 0.002 0.000 0.216 487 R C 0.389 176.702 176.300 0.022 0.000 0.905 487 R CA -0.353 55.778 56.100 0.052 0.000 1.064 487 R CB 0.187 30.504 30.300 0.028 0.000 1.046 487 R HN -0.010 nan 8.270 nan 0.000 0.508 488 N N 0.393 119.066 118.700 -0.044 0.000 2.453 488 N HA -0.122 4.619 4.740 0.002 0.000 0.253 488 N C -1.141 174.224 175.510 -0.242 0.000 1.252 488 N CA -0.079 52.843 53.050 -0.213 0.000 0.917 488 N CB 0.411 38.613 38.487 -0.476 0.000 1.117 488 N HN -0.014 nan 8.380 nan 0.000 0.442 489 Y N 3.263 123.399 120.300 -0.273 0.000 2.365 489 Y HA 0.279 4.830 4.550 0.002 0.000 0.340 489 Y C -1.192 174.553 175.900 -0.259 0.000 1.016 489 Y CA -0.520 57.476 58.100 -0.174 0.000 1.196 489 Y CB 0.021 38.451 38.460 -0.050 0.000 1.167 489 Y HN 0.457 nan 8.280 nan 0.000 0.509 490 Y N 8.912 128.883 120.300 -0.549 0.000 2.404 490 Y HA 0.261 4.812 4.550 0.002 0.000 0.344 490 Y C -1.317 174.162 175.900 -0.702 0.000 0.970 490 Y CA -2.348 55.506 58.100 -0.410 0.000 1.180 490 Y CB 0.749 39.113 38.460 -0.160 0.000 1.138 490 Y HN 0.577 nan 8.280 nan 0.000 0.510 491 P HA -0.102 nan 4.420 nan 0.000 0.222 491 P C -0.173 177.026 177.300 -0.169 0.000 1.147 491 P CA 1.095 64.033 63.100 -0.269 0.000 0.790 491 P CB 0.412 32.014 31.700 -0.164 0.000 0.780 492 V N -4.303 115.536 119.914 -0.125 0.000 2.971 492 V HA 0.430 4.551 4.120 0.002 0.000 0.309 492 V C 1.379 177.450 176.094 -0.039 0.000 1.130 492 V CA -0.879 61.375 62.300 -0.077 0.000 0.964 492 V CB 1.977 33.743 31.823 -0.095 0.000 1.029 492 V HN -0.262 nan 8.190 nan 0.000 0.427 493 E N 2.436 122.615 120.200 -0.034 0.000 2.070 493 E HA -0.233 4.118 4.350 0.002 0.000 0.197 493 E C 1.534 178.103 176.600 -0.052 0.000 1.004 493 E CA 2.497 58.873 56.400 -0.040 0.000 0.805 493 E CB -0.227 29.459 29.700 -0.023 0.000 0.744 493 E HN 0.907 nan 8.360 nan 0.000 0.451 494 E N 0.093 120.277 120.200 -0.027 0.000 2.169 494 E HA -0.253 4.098 4.350 0.002 0.000 0.202 494 E C 1.919 178.513 176.600 -0.010 0.000 1.016 494 E CA 1.779 58.171 56.400 -0.013 0.000 0.817 494 E CB -0.452 29.248 29.700 0.001 0.000 0.736 494 E HN 0.454 nan 8.360 nan 0.000 0.462 495 A N 0.568 123.396 122.820 0.013 0.000 1.930 495 A HA -0.093 4.228 4.320 0.002 0.000 0.215 495 A C 2.099 179.557 177.584 -0.210 0.000 1.176 495 A CA 1.119 53.214 52.037 0.097 0.000 0.632 495 A CB -0.264 18.964 19.000 0.381 0.000 0.819 495 A HN 0.060 nan 8.150 nan 0.000 0.445 496 R N 0.093 120.340 120.500 -0.423 0.000 2.080 496 R HA -0.169 4.172 4.340 0.002 0.000 0.236 496 R C 2.296 178.313 176.300 -0.472 0.000 1.137 496 R CA 1.988 57.568 56.100 -0.867 0.000 0.943 496 R CB -0.331 29.687 30.300 -0.469 0.000 0.846 496 R HN 0.553 nan 8.270 nan 0.000 0.431 497 K N -0.010 120.249 120.400 -0.234 0.000 2.020 497 K HA -0.177 4.144 4.320 0.002 0.000 0.212 497 K C 2.152 178.667 176.600 -0.141 0.000 1.050 497 K CA 1.992 58.192 56.287 -0.145 0.000 0.929 497 K CB -0.345 32.116 32.500 -0.064 0.000 0.714 497 K HN 0.104 nan 8.250 nan 0.000 0.443 498 S N 0.733 116.391 115.700 -0.070 0.000 2.359 498 S HA -0.209 4.262 4.470 0.002 0.000 0.223 498 S C 1.825 176.402 174.600 -0.039 0.000 1.039 498 S CA 1.953 60.166 58.200 0.020 0.000 1.042 498 S CB -0.446 62.824 63.200 0.116 0.000 0.915 498 S HN 0.376 nan 8.310 nan 0.000 0.439 499 N N 0.410 119.054 118.700 -0.092 0.000 2.188 499 N HA 0.047 4.788 4.740 0.002 0.000 0.184 499 N C 1.707 177.172 175.510 -0.075 0.000 1.018 499 N CA 1.276 54.297 53.050 -0.047 0.000 0.858 499 N CB -0.341 38.157 38.487 0.018 0.000 0.989 499 N HN 0.389 nan 8.380 nan 0.000 0.426 500 M N -0.228 119.280 119.600 -0.152 0.000 2.254 500 M HA 0.027 4.508 4.480 0.002 0.000 0.265 500 M C 2.018 178.261 176.300 -0.095 0.000 1.066 500 M CA 0.934 56.175 55.300 -0.098 0.000 1.123 500 M CB -0.792 31.741 32.600 -0.113 0.000 1.388 500 M HN 0.109 nan 8.290 nan 0.000 0.425 501 R N -0.699 119.674 120.500 -0.211 0.000 2.075 501 R HA -0.085 4.256 4.340 0.002 0.000 0.226 501 R C 1.674 177.812 176.300 -0.269 0.000 1.114 501 R CA 1.140 57.047 56.100 -0.322 0.000 0.972 501 R CB 0.173 30.125 30.300 -0.579 0.000 0.869 501 R HN 0.457 nan 8.270 nan 0.000 0.437 502 H N -0.888 118.223 119.070 0.070 0.000 3.046 502 H HA 0.269 4.826 4.556 0.002 0.000 0.262 502 H C -0.082 175.112 175.328 -0.224 0.000 1.044 502 H CA -0.087 55.940 56.048 -0.035 0.000 1.209 502 H CB 0.539 30.273 29.762 -0.046 0.000 1.507 502 H HN 0.075 nan 8.280 nan 0.000 0.507 503 R N 0.874 121.370 120.500 -0.007 0.000 3.225 503 R HA -0.113 4.228 4.340 0.002 0.000 0.245 503 R C -2.545 173.722 176.300 -0.056 0.000 0.928 503 R CA 0.128 56.218 56.100 -0.016 0.000 0.632 503 R CB -1.850 28.460 30.300 0.017 0.000 1.038 503 R HN 0.370 nan 8.270 nan 0.000 0.461 504 P HA 0.187 nan 4.420 nan 0.000 0.275 504 P C -0.020 177.276 177.300 -0.007 0.000 1.227 504 P CA 0.048 63.128 63.100 -0.033 0.000 0.781 504 P CB 0.846 32.541 31.700 -0.009 0.000 0.906 505 I N 1.726 122.293 120.570 -0.006 0.000 2.892 505 I HA 0.565 4.736 4.170 0.002 0.000 0.306 505 I C 0.002 176.122 176.117 0.005 0.000 1.078 505 I CA -1.544 59.757 61.300 0.002 0.000 1.032 505 I CB 1.758 39.760 38.000 0.004 0.000 1.229 505 I HN 0.414 nan 8.210 nan 0.000 0.435 506 A N 5.460 128.281 122.820 0.001 0.000 3.007 506 A HA 0.595 4.916 4.320 0.002 0.000 0.314 506 A C -1.071 176.516 177.584 0.006 0.000 1.153 506 A CA -0.315 51.727 52.037 0.008 0.000 0.780 506 A CB 0.178 19.178 19.000 0.001 0.000 1.258 506 A HN 0.490 nan 8.150 nan 0.000 0.460 507 L N 1.268 122.498 121.223 0.012 0.000 2.395 507 L HA 0.752 5.093 4.340 0.002 0.000 0.269 507 L C 0.981 177.880 176.870 0.048 0.000 1.133 507 L CA 1.058 55.898 54.840 0.001 0.000 0.812 507 L CB 1.631 43.683 42.059 -0.012 0.000 1.125 507 L HN 0.724 nan 8.230 nan 0.000 0.452 508 G N 1.168 109.997 108.800 0.048 0.000 2.911 508 G HA2 0.714 4.675 3.960 0.002 0.000 0.299 508 G HA3 0.714 4.675 3.960 0.002 0.000 0.299 508 G C -1.466 173.491 174.900 0.097 0.000 1.283 508 G CA 0.078 45.248 45.100 0.116 0.000 0.805 508 G HN 0.722 nan 8.290 nan 0.000 0.548 509 V N -2.545 117.469 119.914 0.165 0.000 3.181 509 V HA 0.957 5.078 4.120 0.002 0.000 0.308 509 V C -1.239 174.945 176.094 0.150 0.000 1.214 509 V CA -0.717 61.660 62.300 0.127 0.000 1.053 509 V CB 1.372 33.244 31.823 0.082 0.000 1.069 509 V HN 1.360 nan 8.190 nan 0.000 0.441 510 Q N 0.426 120.287 119.800 0.102 0.000 2.522 510 Q HA 0.655 4.996 4.340 0.002 0.000 0.285 510 Q C 0.157 176.160 176.000 0.005 0.000 0.982 510 Q CA -0.559 55.297 55.803 0.089 0.000 0.805 510 Q CB 1.457 30.268 28.738 0.122 0.000 1.457 510 Q HN 2.597 nan 8.270 nan 0.000 0.394 511 G N 0.830 109.619 108.800 -0.019 0.000 2.176 511 G HA2 -0.263 3.698 3.960 0.002 0.000 0.252 511 G HA3 -0.263 3.698 3.960 0.002 0.000 0.252 511 G C 0.247 175.018 174.900 -0.216 0.000 1.024 511 G CA 0.390 45.376 45.100 -0.191 0.000 0.755 511 G HN 0.581 nan 8.290 nan 0.000 0.507 512 L N -0.387 120.750 121.223 -0.144 0.000 1.976 512 L HA -0.034 4.307 4.340 0.002 0.000 0.209 512 L C 3.136 179.736 176.870 -0.450 0.000 1.071 512 L CA 2.736 57.371 54.840 -0.341 0.000 0.746 512 L CB -0.862 41.110 42.059 -0.145 0.000 0.890 512 L HN 0.535 nan 8.230 nan 0.000 0.432 513 A N -0.021 122.765 122.820 -0.057 0.000 1.908 513 A HA -0.282 4.039 4.320 0.002 0.000 0.218 513 A C 1.687 179.298 177.584 0.046 0.000 1.181 513 A CA 2.206 54.332 52.037 0.149 0.000 0.627 513 A CB -0.757 18.391 19.000 0.245 0.000 0.818 513 A HN 0.566 nan 8.150 nan 0.000 0.445 514 D N -0.818 119.567 120.400 -0.025 0.000 2.117 514 D HA -0.083 4.558 4.640 0.002 0.000 0.197 514 D C 1.929 178.066 176.300 -0.271 0.000 0.987 514 D CA 1.747 55.668 54.000 -0.132 0.000 0.829 514 D CB -0.521 40.238 40.800 -0.068 0.000 0.961 514 D HN 0.390 nan 8.370 nan 0.000 0.460 515 T N 0.445 114.839 114.554 -0.266 0.000 2.674 515 T HA -0.131 4.220 4.350 0.002 0.000 0.265 515 T C 1.512 176.158 174.700 -0.090 0.000 1.039 515 T CA 0.772 62.745 62.100 -0.212 0.000 1.150 515 T CB -0.440 68.263 68.868 -0.276 0.000 0.864 515 T HN 0.011 nan 8.240 nan 0.000 0.427 516 F N 1.501 121.379 119.950 -0.119 0.000 2.063 516 F HA -0.116 4.412 4.527 0.002 0.000 0.298 516 F C 2.456 178.173 175.800 -0.137 0.000 1.109 516 F CA 0.939 58.867 58.000 -0.120 0.000 1.212 516 F CB -1.221 37.729 39.000 -0.084 0.000 0.973 516 F HN 0.160 nan 8.300 nan 0.000 0.480 517 M N -1.280 118.335 119.600 0.025 0.000 2.159 517 M HA -0.193 4.288 4.480 0.002 0.000 0.263 517 M C 2.084 178.266 176.300 -0.196 0.000 1.063 517 M CA 1.068 56.292 55.300 -0.127 0.000 1.110 517 M CB -0.482 32.035 32.600 -0.140 0.000 1.374 517 M HN 0.088 nan 8.290 nan 0.000 0.411 518 L N 0.033 121.096 121.223 -0.267 0.000 2.156 518 L HA -0.029 4.312 4.340 0.002 0.000 0.208 518 L C 1.829 178.655 176.870 -0.072 0.000 1.095 518 L CA 1.665 56.382 54.840 -0.204 0.000 0.770 518 L CB -0.588 41.341 42.059 -0.217 0.000 0.914 518 L HN 0.297 nan 8.230 nan 0.000 0.439 519 L N -0.672 120.526 121.223 -0.041 0.000 2.612 519 L HA 0.100 4.441 4.340 0.002 0.000 0.230 519 L C 0.400 177.260 176.870 -0.017 0.000 1.140 519 L CA -0.105 54.734 54.840 -0.001 0.000 0.896 519 L CB -0.139 41.942 42.059 0.037 0.000 1.065 519 L HN 0.232 nan 8.230 nan 0.000 0.447 520 R N 0.638 121.111 120.500 -0.045 0.000 3.422 520 R HA -0.156 4.185 4.340 0.002 0.000 0.267 520 R C -0.780 175.474 176.300 -0.076 0.000 1.074 520 R CA 0.613 56.671 56.100 -0.069 0.000 0.718 520 R CB -2.303 27.972 30.300 -0.042 0.000 1.157 520 R HN 0.346 nan 8.270 nan 0.000 0.440 521 L N 0.877 122.057 121.223 -0.072 0.000 2.319 521 L HA 0.428 4.769 4.340 0.002 0.000 0.281 521 L C -2.037 174.745 176.870 -0.146 0.000 1.005 521 L CA -2.255 52.511 54.840 -0.123 0.000 0.828 521 L CB 1.696 43.655 42.059 -0.166 0.000 1.227 521 L HN -0.262 nan 8.230 nan 0.000 0.415 522 P HA -0.056 nan 4.420 nan 0.000 0.264 522 P C 0.559 177.763 177.300 -0.161 0.000 1.183 522 P CA 0.028 63.074 63.100 -0.089 0.000 0.763 522 P CB 0.451 32.112 31.700 -0.065 0.000 0.807 523 F N 3.002 122.852 119.950 -0.166 0.000 2.236 523 F HA -0.232 4.296 4.527 0.001 0.000 0.302 523 F C 1.154 176.825 175.800 -0.215 0.000 1.073 523 F CA 2.064 59.951 58.000 -0.188 0.000 1.336 523 F CB -0.213 38.827 39.000 0.066 0.000 1.040 523 F HN 0.344 nan 8.300 nan 0.000 0.507 524 D N -1.499 118.921 120.400 0.033 0.000 2.368 524 D HA 0.115 4.756 4.640 0.002 0.000 0.218 524 D C 0.662 176.912 176.300 -0.084 0.000 1.112 524 D CA 0.206 54.206 54.000 0.002 0.000 0.834 524 D CB -0.579 40.260 40.800 0.066 0.000 0.953 524 D HN 0.149 nan 8.370 nan 0.000 0.505 525 S N -0.120 115.480 115.700 -0.166 0.000 2.584 525 S HA 0.052 4.523 4.470 0.002 0.000 0.270 525 S C 1.281 175.779 174.600 -0.169 0.000 1.346 525 S CA -0.545 57.562 58.200 -0.155 0.000 1.018 525 S CB 1.764 64.852 63.200 -0.187 0.000 0.899 525 S HN 0.113 nan 8.310 nan 0.000 0.542 526 E N 0.947 121.077 120.200 -0.117 0.000 2.204 526 E HA -0.153 4.198 4.350 0.002 0.000 0.195 526 E C 1.398 177.917 176.600 -0.136 0.000 0.990 526 E CA 1.621 57.958 56.400 -0.105 0.000 0.821 526 E CB -0.322 29.340 29.700 -0.064 0.000 0.750 526 E HN 0.794 nan 8.360 nan 0.000 0.477 527 E N 0.159 120.267 120.200 -0.153 0.000 2.072 527 E HA 0.029 4.380 4.350 0.002 0.000 0.190 527 E C 1.978 178.443 176.600 -0.225 0.000 0.982 527 E CA 1.274 57.586 56.400 -0.148 0.000 0.803 527 E CB -0.423 29.209 29.700 -0.113 0.000 0.755 527 E HN 0.399 nan 8.360 nan 0.000 0.453 528 A N 1.203 123.778 122.820 -0.407 0.000 1.908 528 A HA -0.252 4.069 4.320 0.002 0.000 0.218 528 A C 2.144 179.435 177.584 -0.488 0.000 1.181 528 A CA 1.833 53.392 52.037 -0.797 0.000 0.627 528 A CB -0.517 17.636 19.000 -1.412 0.000 0.818 528 A HN 0.129 nan 8.150 nan 0.000 0.445 529 R N -0.618 119.685 120.500 -0.328 0.000 2.096 529 R HA -0.056 4.285 4.340 0.002 0.000 0.235 529 R C 2.002 178.215 176.300 -0.144 0.000 1.127 529 R CA 1.442 57.427 56.100 -0.191 0.000 0.968 529 R CB -0.287 29.934 30.300 -0.132 0.000 0.861 529 R HN 0.548 nan 8.270 nan 0.000 0.440 530 L N 0.578 121.706 121.223 -0.158 0.000 2.131 530 L HA -0.111 4.229 4.340 0.002 0.000 0.206 530 L C 2.215 178.982 176.870 -0.171 0.000 1.087 530 L CA 0.672 55.400 54.840 -0.186 0.000 0.767 530 L CB -0.215 41.752 42.059 -0.154 0.000 0.917 530 L HN 0.282 nan 8.230 nan 0.000 0.441 531 L N 0.549 121.724 121.223 -0.080 0.000 2.093 531 L HA -0.210 4.131 4.340 0.002 0.000 0.208 531 L C 2.063 178.972 176.870 0.066 0.000 1.085 531 L CA 1.720 56.570 54.840 0.016 0.000 0.755 531 L CB -0.868 41.228 42.059 0.062 0.000 0.904 531 L HN 0.277 nan 8.230 nan 0.000 0.435 532 N N -0.063 118.708 118.700 0.118 0.000 2.036 532 N HA -0.241 4.500 4.740 0.002 0.000 0.195 532 N C 1.825 177.464 175.510 0.215 0.000 1.037 532 N CA 2.326 55.502 53.050 0.211 0.000 0.855 532 N CB -0.304 38.269 38.487 0.143 0.000 1.033 532 N HN 0.479 nan 8.380 nan 0.000 0.423 533 I N 0.641 121.240 120.570 0.049 0.000 2.142 533 I HA -0.320 3.851 4.170 0.002 0.000 0.240 533 I C 2.495 178.586 176.117 -0.044 0.000 1.078 533 I CA 1.323 62.649 61.300 0.044 0.000 1.343 533 I CB -0.454 37.477 38.000 -0.114 0.000 1.046 533 I HN 0.409 nan 8.210 nan 0.000 0.405 534 Q N 0.899 120.581 119.800 -0.197 0.000 2.079 534 Q HA -0.184 4.157 4.340 0.002 0.000 0.200 534 Q C 2.295 178.315 176.000 0.033 0.000 0.974 534 Q CA 1.584 57.256 55.803 -0.218 0.000 0.840 534 Q CB -0.565 27.870 28.738 -0.505 0.000 0.898 534 Q HN 0.492 nan 8.270 nan 0.000 0.430 535 I N 0.316 120.962 120.570 0.126 0.000 2.151 535 I HA -0.268 3.903 4.170 0.002 0.000 0.243 535 I C 1.933 177.968 176.117 -0.136 0.000 1.080 535 I CA 1.551 62.872 61.300 0.035 0.000 1.339 535 I CB -0.225 37.669 38.000 -0.175 0.000 1.039 535 I HN 0.091 nan 8.210 nan 0.000 0.409 536 F N 0.343 120.287 119.950 -0.010 0.000 2.456 536 F HA -0.100 4.428 4.527 0.002 0.000 0.298 536 F C 2.508 178.229 175.800 -0.132 0.000 1.104 536 F CA 0.914 58.906 58.000 -0.013 0.000 1.435 536 F CB -0.273 38.756 39.000 0.049 0.000 1.078 536 F HN 0.072 nan 8.300 nan 0.000 0.546 537 E N -0.046 120.012 120.200 -0.238 0.000 2.047 537 E HA -0.231 4.120 4.350 0.002 0.000 0.191 537 E C 2.347 179.011 176.600 0.106 0.000 0.987 537 E CA 1.721 57.886 56.400 -0.392 0.000 0.799 537 E CB -0.138 29.395 29.700 -0.277 0.000 0.752 537 E HN 0.330 nan 8.360 nan 0.000 0.449 538 T N -0.220 114.416 114.554 0.138 0.000 2.867 538 T HA -0.083 4.267 4.350 0.002 0.000 0.268 538 T C 1.961 176.594 174.700 -0.112 0.000 1.057 538 T CA 1.048 63.164 62.100 0.027 0.000 1.136 538 T CB -0.277 68.885 68.868 0.491 0.000 0.874 538 T HN 0.159 nan 8.240 nan 0.000 0.466 539 I N -0.210 120.326 120.570 -0.057 0.000 2.226 539 I HA -0.070 4.101 4.170 0.002 0.000 0.245 539 I C 2.376 178.521 176.117 0.047 0.000 1.100 539 I CA 1.484 62.731 61.300 -0.088 0.000 1.374 539 I CB -0.485 37.438 38.000 -0.128 0.000 1.057 539 I HN 0.267 nan 8.210 nan 0.000 0.413 540 Y N 1.061 121.410 120.300 0.081 0.000 2.163 540 Y HA -0.299 4.252 4.550 0.002 0.000 0.288 540 Y C 2.784 178.827 175.900 0.237 0.000 1.136 540 Y CA 1.749 59.989 58.100 0.234 0.000 1.147 540 Y CB -0.949 37.778 38.460 0.445 0.000 0.987 540 Y HN 0.221 nan 8.280 nan 0.000 0.509 541 H N 0.121 119.189 119.070 -0.004 0.000 2.352 541 H HA -0.174 4.383 4.556 0.001 0.000 0.299 541 H C 2.045 177.059 175.328 -0.523 0.000 1.097 541 H CA 1.729 57.452 56.048 -0.541 0.000 1.311 541 H CB -0.225 29.026 29.762 -0.853 0.000 1.377 541 H HN 0.449 nan 8.280 nan 0.000 0.504 542 A N 0.631 123.126 122.820 -0.542 0.000 1.845 542 A HA -0.184 4.137 4.320 0.002 0.000 0.215 542 A C 2.821 180.104 177.584 -0.502 0.000 1.195 542 A CA 2.387 53.889 52.037 -0.891 0.000 0.616 542 A CB -1.013 17.375 19.000 -1.020 0.000 0.832 542 A HN 0.659 nan 8.150 nan 0.000 0.443 543 S N -0.739 114.785 115.700 -0.294 0.000 2.400 543 S HA -0.168 4.303 4.470 0.002 0.000 0.232 543 S C 1.894 176.411 174.600 -0.137 0.000 1.025 543 S CA 1.750 59.854 58.200 -0.160 0.000 0.993 543 S CB -0.441 62.741 63.200 -0.031 0.000 0.808 543 S HN 0.372 nan 8.310 nan 0.000 0.478 544 M N 1.494 120.980 119.600 -0.191 0.000 2.156 544 M HA 0.086 4.567 4.480 0.002 0.000 0.264 544 M C 2.419 178.589 176.300 -0.216 0.000 1.067 544 M CA 1.423 56.620 55.300 -0.173 0.000 1.131 544 M CB -1.263 31.188 32.600 -0.248 0.000 1.368 544 M HN 0.546 nan 8.290 nan 0.000 0.416 545 E N 0.462 120.444 120.200 -0.363 0.000 2.023 545 E HA -0.191 4.160 4.350 0.002 0.000 0.196 545 E C 1.977 178.457 176.600 -0.199 0.000 1.003 545 E CA 1.676 57.887 56.400 -0.314 0.000 0.809 545 E CB 0.037 29.499 29.700 -0.397 0.000 0.755 545 E HN 0.415 nan 8.360 nan 0.000 0.449 546 A N 0.358 123.051 122.820 -0.212 0.000 1.940 546 A HA -0.206 4.115 4.320 0.002 0.000 0.219 546 A C 2.320 179.843 177.584 -0.102 0.000 1.176 546 A CA 2.000 53.947 52.037 -0.151 0.000 0.631 546 A CB -0.819 18.082 19.000 -0.165 0.000 0.814 546 A HN 0.346 nan 8.150 nan 0.000 0.446 547 S N -1.760 113.887 115.700 -0.090 0.000 2.423 547 S HA -0.157 4.314 4.470 0.002 0.000 0.231 547 S C 1.945 176.519 174.600 -0.043 0.000 1.014 547 S CA 1.273 59.448 58.200 -0.042 0.000 0.965 547 S CB -0.792 62.404 63.200 -0.006 0.000 0.785 547 S HN 0.704 nan 8.310 nan 0.000 0.495 548 C N 1.430 120.692 119.300 -0.063 0.000 2.466 548 C HA 0.088 4.549 4.460 0.002 0.000 0.278 548 C C 2.376 177.323 174.990 -0.072 0.000 1.288 548 C CA 1.021 60.005 59.018 -0.058 0.000 1.722 548 C CB -1.407 26.306 27.740 -0.046 0.000 2.017 548 C HN 0.694 nan 8.230 nan 0.000 0.488 549 E N 0.622 120.772 120.200 -0.082 0.000 2.049 549 E HA -0.253 4.098 4.350 0.002 0.000 0.198 549 E C 2.048 178.598 176.600 -0.084 0.000 1.007 549 E CA 1.689 58.034 56.400 -0.091 0.000 0.809 549 E CB -0.367 29.283 29.700 -0.084 0.000 0.749 549 E HN 0.637 nan 8.360 nan 0.000 0.450 550 L N 0.624 121.810 121.223 -0.063 0.000 2.043 550 L HA -0.265 4.076 4.340 0.002 0.000 0.212 550 L C 2.587 179.426 176.870 -0.052 0.000 1.075 550 L CA 1.173 55.987 54.840 -0.045 0.000 0.752 550 L CB -0.552 41.494 42.059 -0.023 0.000 0.891 550 L HN 0.187 nan 8.230 nan 0.000 0.432 551 A N -0.754 122.027 122.820 -0.066 0.000 1.972 551 A HA -0.236 4.085 4.320 0.002 0.000 0.219 551 A C 2.214 179.743 177.584 -0.093 0.000 1.169 551 A CA 1.484 53.467 52.037 -0.090 0.000 0.635 551 A CB -0.369 18.543 19.000 -0.146 0.000 0.810 551 A HN 0.487 nan 8.150 nan 0.000 0.446 552 Q N -0.123 119.605 119.800 -0.121 0.000 2.046 552 Q HA -0.169 4.172 4.340 0.002 0.000 0.200 552 Q C 2.080 178.010 176.000 -0.117 0.000 0.975 552 Q CA 1.833 57.526 55.803 -0.183 0.000 0.836 552 Q CB -0.180 28.371 28.738 -0.312 0.000 0.896 552 Q HN 0.679 nan 8.270 nan 0.000 0.428 553 K N 0.326 120.673 120.400 -0.088 0.000 2.001 553 K HA -0.116 4.205 4.320 0.002 0.000 0.208 553 K C 0.952 177.529 176.600 -0.039 0.000 1.048 553 K CA 1.380 57.633 56.287 -0.057 0.000 0.932 553 K CB 0.064 32.538 32.500 -0.043 0.000 0.715 553 K HN 0.198 nan 8.250 nan 0.000 0.437 554 D N -0.683 119.697 120.400 -0.033 0.000 2.433 554 D HA 0.160 4.801 4.640 0.002 0.000 0.211 554 D C 0.577 176.866 176.300 -0.018 0.000 1.114 554 D CA 0.394 54.385 54.000 -0.016 0.000 0.837 554 D CB 1.023 41.822 40.800 -0.001 0.000 0.984 554 D HN 0.322 nan 8.370 nan 0.000 0.505 555 G N 1.890 110.668 108.800 -0.037 0.000 2.730 555 G HA2 -0.148 3.813 3.960 0.002 0.000 0.686 555 G HA3 -0.148 3.813 3.960 0.002 0.000 0.686 555 G C -3.005 171.849 174.900 -0.076 0.000 1.343 555 G CA -1.205 43.865 45.100 -0.050 0.000 0.826 555 G HN -0.080 nan 8.290 nan 0.000 0.582 556 P HA 0.421 nan 4.420 nan 0.000 0.274 556 P C 0.150 177.390 177.300 -0.101 0.000 1.231 556 P CA -0.327 62.615 63.100 -0.264 0.000 0.790 556 P CB 0.169 31.565 31.700 -0.507 0.000 0.951 557 Y N -0.610 119.687 120.300 -0.006 0.000 2.788 557 Y HA -0.013 4.538 4.550 0.001 0.000 0.341 557 Y C 1.497 177.458 175.900 0.102 0.000 1.258 557 Y CA -0.076 58.060 58.100 0.059 0.000 1.503 557 Y CB -0.484 38.035 38.460 0.098 0.000 1.325 557 Y HN 0.504 nan 8.280 nan 0.000 0.614 558 E N 0.878 121.178 120.200 0.167 0.000 2.284 558 E HA -0.212 4.139 4.350 0.002 0.000 0.200 558 E C 1.127 177.783 176.600 0.093 0.000 1.008 558 E CA 1.655 58.108 56.400 0.088 0.000 0.829 558 E CB -0.141 29.599 29.700 0.066 0.000 0.744 558 E HN 0.846 nan 8.360 nan 0.000 0.491 559 T N -0.776 113.889 114.554 0.186 0.000 3.044 559 T HA 0.095 4.446 4.350 0.002 0.000 0.260 559 T C 0.809 175.551 174.700 0.069 0.000 1.019 559 T CA -0.506 61.738 62.100 0.239 0.000 0.921 559 T CB -0.171 69.012 68.868 0.525 0.000 1.053 559 T HN 0.176 nan 8.240 nan 0.000 0.533 560 F N 2.169 121.749 119.950 -0.617 0.000 2.063 560 F HA -0.041 4.487 4.527 0.002 0.000 0.298 560 F C 1.200 176.869 175.800 -0.219 0.000 1.109 560 F CA 1.312 58.912 58.000 -0.666 0.000 1.212 560 F CB -0.051 38.460 39.000 -0.814 0.000 0.973 560 F HN 0.113 nan 8.300 nan 0.000 0.480 561 Q N 0.133 119.835 119.800 -0.164 0.000 2.263 561 Q HA 0.199 4.540 4.340 0.002 0.000 0.289 561 Q C 0.870 176.744 176.000 -0.210 0.000 1.061 561 Q CA 0.853 56.531 55.803 -0.208 0.000 0.927 561 Q CB 0.272 28.983 28.738 -0.045 0.000 1.154 561 Q HN 0.710 nan 8.270 nan 0.000 0.378 562 G N 1.888 110.536 108.800 -0.253 0.000 2.176 562 G HA2 -0.258 3.703 3.960 0.002 0.000 0.232 562 G HA3 -0.258 3.703 3.960 0.002 0.000 0.232 562 G C 0.069 174.865 174.900 -0.173 0.000 0.986 562 G CA 0.159 45.159 45.100 -0.166 0.000 0.643 562 G HN 0.705 nan 8.290 nan 0.000 0.522 563 S N -0.114 115.425 115.700 -0.269 0.000 2.654 563 S HA 0.727 5.198 4.470 0.002 0.000 0.283 563 S C -0.952 173.552 174.600 -0.160 0.000 1.180 563 S CA -0.817 57.277 58.200 -0.177 0.000 1.021 563 S CB 2.691 65.812 63.200 -0.132 0.000 1.018 563 S HN -0.072 nan 8.310 nan 0.000 0.532 564 P HA -0.172 nan 4.420 nan 0.000 0.216 564 P C 1.546 178.817 177.300 -0.048 0.000 1.154 564 P CA 2.241 65.311 63.100 -0.051 0.000 0.865 564 P CB -0.204 31.484 31.700 -0.020 0.000 0.789 565 A N -0.211 122.598 122.820 -0.018 0.000 1.933 565 A HA -0.187 4.134 4.320 0.002 0.000 0.218 565 A C 2.383 179.954 177.584 -0.021 0.000 1.175 565 A CA 2.229 54.300 52.037 0.056 0.000 0.628 565 A CB -1.603 17.535 19.000 0.230 0.000 0.814 565 A HN 0.353 nan 8.150 nan 0.000 0.444 566 S N -0.847 114.653 115.700 -0.333 0.000 2.423 566 S HA -0.129 4.342 4.470 0.002 0.000 0.231 566 S C 1.406 175.906 174.600 -0.167 0.000 1.014 566 S CA 1.161 59.060 58.200 -0.500 0.000 0.965 566 S CB -0.272 62.333 63.200 -0.993 0.000 0.785 566 S HN 0.517 nan 8.310 nan 0.000 0.495 567 Q N 0.910 120.634 119.800 -0.127 0.000 2.322 567 Q HA 0.297 4.638 4.340 0.002 0.000 0.203 567 Q C 1.376 177.368 176.000 -0.014 0.000 0.923 567 Q CA 0.540 56.307 55.803 -0.060 0.000 0.949 567 Q CB -0.563 28.139 28.738 -0.060 0.000 1.039 567 Q HN 0.787 nan 8.270 nan 0.000 0.496 568 G N 1.454 110.260 108.800 0.011 0.000 2.168 568 G HA2 -0.283 3.678 3.960 0.002 0.000 0.257 568 G HA3 -0.283 3.678 3.960 0.002 0.000 0.257 568 G C 0.151 175.062 174.900 0.018 0.000 0.997 568 G CA 0.076 45.202 45.100 0.042 0.000 0.708 568 G HN 0.416 nan 8.290 nan 0.000 0.520 569 I N 1.302 121.867 120.570 -0.009 0.000 2.291 569 I HA 0.356 4.527 4.170 0.002 0.000 0.292 569 I C 1.053 177.129 176.117 -0.070 0.000 1.064 569 I CA -0.488 60.790 61.300 -0.037 0.000 1.269 569 I CB 0.452 38.433 38.000 -0.031 0.000 1.418 569 I HN 0.010 nan 8.210 nan 0.000 0.485 570 L N 4.761 125.872 121.223 -0.188 0.000 2.440 570 L HA 0.287 4.628 4.340 0.002 0.000 0.262 570 L C 1.370 178.027 176.870 -0.354 0.000 1.072 570 L CA -0.594 54.080 54.840 -0.277 0.000 0.798 570 L CB 0.640 42.403 42.059 -0.493 0.000 1.307 570 L HN 0.444 nan 8.230 nan 0.000 0.475 571 Q N 0.861 120.506 119.800 -0.259 0.000 2.030 571 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 571 Q C 1.789 177.740 176.000 -0.081 0.000 0.986 571 Q CA 2.456 58.176 55.803 -0.138 0.000 0.843 571 Q CB -0.450 28.167 28.738 -0.203 0.000 0.904 571 Q HN 0.565 nan 8.270 nan 0.000 0.420 572 F N -0.340 119.598 119.950 -0.020 0.000 2.202 572 F HA -0.102 4.426 4.527 0.001 0.000 0.301 572 F C 1.476 177.303 175.800 0.043 0.000 1.082 572 F CA 1.131 59.071 58.000 -0.101 0.000 1.313 572 F CB -0.719 38.115 39.000 -0.277 0.000 1.024 572 F HN 0.037 nan 8.300 nan 0.000 0.495 573 D N 1.491 121.880 120.400 -0.018 0.000 2.149 573 D HA -0.172 4.469 4.640 0.002 0.000 0.198 573 D C 2.104 178.447 176.300 0.073 0.000 0.990 573 D CA 1.841 55.879 54.000 0.063 0.000 0.839 573 D CB -0.360 40.415 40.800 -0.042 0.000 0.948 573 D HN 0.478 nan 8.370 nan 0.000 0.460 574 M N -1.470 118.173 119.600 0.072 0.000 2.595 574 M HA 0.000 4.481 4.480 0.002 0.000 0.248 574 M C 0.917 177.200 176.300 -0.028 0.000 1.119 574 M CA 0.446 55.755 55.300 0.016 0.000 1.079 574 M CB -0.010 32.578 32.600 -0.020 0.000 1.472 574 M HN 0.009 nan 8.290 nan 0.000 0.501 575 W N 0.973 122.234 121.300 -0.065 0.000 3.353 575 W HA 0.137 4.798 4.660 0.002 0.000 0.304 575 W C -0.044 176.447 176.519 -0.048 0.000 1.273 575 W CA -0.442 56.862 57.345 -0.068 0.000 1.773 575 W CB -0.179 29.228 29.460 -0.088 0.000 1.095 575 W HN 0.230 nan 8.180 nan 0.000 0.676 576 D N 1.702 122.183 120.400 0.136 0.000 2.755 576 D HA -0.220 4.420 4.640 0.002 0.000 0.227 576 D C -0.062 176.301 176.300 0.106 0.000 1.211 576 D CA 0.993 55.049 54.000 0.094 0.000 0.663 576 D CB -1.008 39.813 40.800 0.035 0.000 0.983 576 D HN 0.351 nan 8.370 nan 0.000 0.407 577 Q N -0.257 119.628 119.800 0.143 0.000 2.421 577 Q HA 0.380 4.720 4.340 0.002 0.000 0.280 577 Q C -0.265 175.773 176.000 0.063 0.000 1.085 577 Q CA -1.091 54.760 55.803 0.079 0.000 0.807 577 Q CB 2.071 30.832 28.738 0.040 0.000 1.405 577 Q HN -0.139 nan 8.270 nan 0.000 0.419 578 K N 2.263 122.655 120.400 -0.013 0.000 2.218 578 K HA 0.368 4.689 4.320 0.002 0.000 0.276 578 K C -2.261 174.191 176.600 -0.247 0.000 1.022 578 K CA -2.017 54.219 56.287 -0.084 0.000 0.946 578 K CB -0.001 32.467 32.500 -0.055 0.000 1.000 578 K HN 0.399 nan 8.250 nan 0.000 0.468 579 P HA -0.044 nan 4.420 nan 0.000 0.268 579 P C 0.547 177.776 177.300 -0.118 0.000 1.208 579 P CA -0.051 62.658 63.100 -0.651 0.000 0.777 579 P CB 0.353 31.372 31.700 -1.135 0.000 0.875 580 Y N 1.945 122.240 120.300 -0.008 0.000 2.256 580 Y HA -0.118 4.432 4.550 0.001 0.000 0.288 580 Y C 1.721 177.605 175.900 -0.027 0.000 1.155 580 Y CA 2.364 60.465 58.100 0.003 0.000 1.203 580 Y CB -0.460 38.021 38.460 0.036 0.000 0.980 580 Y HN 0.667 nan 8.280 nan 0.000 0.530 581 G N -0.142 108.601 108.800 -0.095 0.000 2.163 581 G HA2 -0.357 3.604 3.960 0.002 0.000 0.213 581 G HA3 -0.357 3.604 3.960 0.002 0.000 0.213 581 G C 0.942 175.675 174.900 -0.277 0.000 0.991 581 G CA 0.368 45.367 45.100 -0.168 0.000 0.653 581 G HN 0.517 nan 8.290 nan 0.000 0.518 582 M N -0.985 118.464 119.600 -0.252 0.000 2.149 582 M HA 0.170 4.651 4.480 0.002 0.000 0.261 582 M C 1.058 176.878 176.300 -0.799 0.000 1.064 582 M CA 1.594 56.605 55.300 -0.482 0.000 1.102 582 M CB -0.017 32.328 32.600 -0.425 0.000 1.369 582 M HN 0.351 nan 8.290 nan 0.000 0.408 583 W N -0.096 120.994 121.300 -0.351 0.000 2.671 583 W HA 0.340 5.001 4.660 0.001 0.000 0.360 583 W C -0.617 175.595 176.519 -0.512 0.000 1.128 583 W CA -0.734 56.197 57.345 -0.691 0.000 1.184 583 W CB 0.385 28.930 29.460 -1.526 0.000 1.415 583 W HN -0.057 nan 8.180 nan 0.000 0.604 584 D N 0.366 120.640 120.400 -0.211 0.000 2.467 584 D HA 0.115 4.756 4.640 0.002 0.000 0.220 584 D C -0.110 176.231 176.300 0.069 0.000 1.103 584 D CA -0.536 53.452 54.000 -0.021 0.000 0.886 584 D CB 0.241 41.042 40.800 0.002 0.000 1.025 584 D HN 0.373 nan 8.370 nan 0.000 0.514 585 W N 2.135 123.565 121.300 0.216 0.000 2.658 585 W HA 0.025 4.687 4.660 0.002 0.000 0.263 585 W C 1.577 178.218 176.519 0.205 0.000 1.274 585 W CA -0.221 57.293 57.345 0.281 0.000 1.343 585 W CB 0.415 30.070 29.460 0.324 0.000 1.106 585 W HN 0.345 nan 8.180 nan 0.000 0.615 586 D N -0.294 120.307 120.400 0.335 0.000 2.084 586 D HA -0.154 4.487 4.640 0.002 0.000 0.194 586 D C 2.097 178.503 176.300 0.177 0.000 0.990 586 D CA 2.174 56.310 54.000 0.227 0.000 0.826 586 D CB -0.901 39.989 40.800 0.150 0.000 0.971 586 D HN 0.001 nan 8.370 nan 0.000 0.453 587 T N 1.630 116.268 114.554 0.141 0.000 2.684 587 T HA -0.162 4.189 4.350 0.002 0.000 0.267 587 T C 1.928 176.685 174.700 0.095 0.000 1.036 587 T CA 0.623 62.782 62.100 0.099 0.000 1.148 587 T CB -0.454 68.460 68.868 0.077 0.000 0.863 587 T HN -0.000 nan 8.240 nan 0.000 0.436 588 L N 1.594 122.879 121.223 0.102 0.000 1.990 588 L HA -0.070 4.270 4.340 0.002 0.000 0.213 588 L C 2.552 179.494 176.870 0.120 0.000 1.072 588 L CA 1.834 56.703 54.840 0.049 0.000 0.755 588 L CB -0.729 41.278 42.059 -0.086 0.000 0.889 588 L HN 0.116 nan 8.230 nan 0.000 0.432 589 R N -0.374 120.252 120.500 0.211 0.000 2.120 589 R HA -0.204 4.137 4.340 0.002 0.000 0.234 589 R C 2.393 178.769 176.300 0.126 0.000 1.123 589 R CA 1.665 57.880 56.100 0.191 0.000 0.975 589 R CB -0.244 30.194 30.300 0.230 0.000 0.866 589 R HN 0.490 nan 8.270 nan 0.000 0.446 590 K N 0.244 120.707 120.400 0.106 0.000 2.057 590 K HA -0.148 4.172 4.320 0.002 0.000 0.206 590 K C 1.047 177.671 176.600 0.039 0.000 1.050 590 K CA 1.839 58.166 56.287 0.066 0.000 0.935 590 K CB -0.097 32.440 32.500 0.062 0.000 0.715 590 K HN 0.087 nan 8.250 nan 0.000 0.439 591 D N 1.360 121.794 120.400 0.056 0.000 2.097 591 D HA -0.128 4.513 4.640 0.002 0.000 0.195 591 D C 2.090 178.426 176.300 0.060 0.000 0.989 591 D CA 1.185 55.226 54.000 0.068 0.000 0.827 591 D CB -0.241 40.619 40.800 0.100 0.000 0.966 591 D HN 0.289 nan 8.370 nan 0.000 0.456 592 I N 0.689 121.305 120.570 0.077 0.000 2.151 592 I HA -0.314 3.857 4.170 0.002 0.000 0.243 592 I C 2.453 178.657 176.117 0.145 0.000 1.080 592 I CA 1.119 62.481 61.300 0.104 0.000 1.339 592 I CB -0.272 37.815 38.000 0.144 0.000 1.039 592 I HN 0.011 nan 8.210 nan 0.000 0.409 593 M N -0.140 119.532 119.600 0.120 0.000 2.229 593 M HA -0.191 4.290 4.480 0.002 0.000 0.264 593 M C 2.247 178.577 176.300 0.050 0.000 1.063 593 M CA 1.502 56.877 55.300 0.125 0.000 1.114 593 M CB -0.387 32.255 32.600 0.070 0.000 1.387 593 M HN 0.077 nan 8.290 nan 0.000 0.420 594 K N 0.419 120.769 120.400 -0.083 0.000 1.995 594 K HA -0.088 4.233 4.320 0.002 0.000 0.207 594 K C 1.348 177.741 176.600 -0.345 0.000 1.041 594 K CA 1.691 57.800 56.287 -0.296 0.000 0.942 594 K CB -0.103 32.066 32.500 -0.551 0.000 0.731 594 K HN 0.397 nan 8.250 nan 0.000 0.439 595 H N -1.091 117.961 119.070 -0.029 0.000 2.592 595 H HA 0.350 4.907 4.556 0.002 0.000 0.265 595 H C 0.612 175.781 175.328 -0.264 0.000 0.955 595 H CA 0.025 56.012 56.048 -0.102 0.000 1.175 595 H CB 0.874 30.583 29.762 -0.087 0.000 1.433 595 H HN 0.479 nan 8.280 nan 0.000 0.537 596 G N 0.610 109.231 108.800 -0.299 0.000 2.725 596 G HA2 -0.148 3.813 3.960 0.002 0.000 0.220 596 G HA3 -0.148 3.813 3.960 0.002 0.000 0.220 596 G C -0.508 174.097 174.900 -0.493 0.000 1.357 596 G CA -0.406 44.079 45.100 -1.024 0.000 0.866 596 G HN 0.643 nan 8.290 nan 0.000 0.548 597 V N -3.486 116.119 119.914 -0.516 0.000 3.001 597 V HA 0.887 5.007 4.120 0.002 0.000 0.314 597 V C 1.236 177.337 176.094 0.012 0.000 1.099 597 V CA 0.064 62.302 62.300 -0.104 0.000 0.989 597 V CB 1.801 33.675 31.823 0.085 0.000 1.040 597 V HN 1.222 nan 8.190 nan 0.000 0.434 598 R N 1.292 121.833 120.500 0.069 0.000 2.153 598 R HA 0.198 4.539 4.340 0.002 0.000 0.218 598 R C 0.398 176.843 176.300 0.241 0.000 1.072 598 R CA 1.122 57.302 56.100 0.133 0.000 0.990 598 R CB -0.186 30.147 30.300 0.055 0.000 0.889 598 R HN 0.923 nan 8.270 nan 0.000 0.452 599 N N -0.627 118.167 118.700 0.156 0.000 2.417 599 N HA 0.062 4.803 4.740 0.002 0.000 0.274 599 N C 0.270 175.673 175.510 -0.178 0.000 0.987 599 N CA -0.010 53.029 53.050 -0.019 0.000 0.912 599 N CB 1.968 40.456 38.487 0.003 0.000 1.177 599 N HN 0.065 nan 8.380 nan 0.000 0.490 600 S N 2.500 117.741 115.700 -0.766 0.000 2.400 600 S HA -0.072 4.399 4.470 0.002 0.000 0.232 600 S C 0.501 175.009 174.600 -0.154 0.000 1.025 600 S CA 0.837 58.582 58.200 -0.759 0.000 0.993 600 S CB -0.197 62.532 63.200 -0.785 0.000 0.808 600 S HN 0.462 nan 8.310 nan 0.000 0.478 601 L N -0.888 120.280 121.223 -0.092 0.000 2.479 601 L HA 0.499 4.840 4.340 0.002 0.000 0.255 601 L C 0.529 177.416 176.870 0.029 0.000 1.026 601 L CA -0.037 54.807 54.840 0.005 0.000 0.842 601 L CB 2.327 44.380 42.059 -0.010 0.000 1.444 601 L HN 0.250 nan 8.230 nan 0.000 0.409 602 T N -3.879 110.715 114.554 0.067 0.000 3.123 602 T HA 0.356 4.707 4.350 0.002 0.000 0.259 602 T C 0.017 174.758 174.700 0.068 0.000 0.871 602 T CA -0.194 61.951 62.100 0.074 0.000 0.857 602 T CB 0.458 69.403 68.868 0.128 0.000 1.267 602 T HN 0.221 nan 8.240 nan 0.000 0.556 603 M N 1.717 121.355 119.600 0.063 0.000 2.321 603 M HA 0.787 5.268 4.480 0.002 0.000 0.315 603 M C -1.269 175.057 176.300 0.042 0.000 1.052 603 M CA -0.673 54.663 55.300 0.059 0.000 0.936 603 M CB 1.805 34.438 32.600 0.056 0.000 1.639 603 M HN 0.329 nan 8.290 nan 0.000 0.433 604 A N 4.099 126.955 122.820 0.060 0.000 2.913 604 A HA 0.590 4.911 4.320 0.002 0.000 0.284 604 A C -2.861 174.789 177.584 0.109 0.000 1.273 604 A CA -0.961 51.116 52.037 0.067 0.000 0.899 604 A CB 0.301 19.328 19.000 0.045 0.000 1.444 604 A HN 0.434 nan 8.150 nan 0.000 0.586 605 P HA 0.218 nan 4.420 nan 0.000 0.262 605 P C 0.276 177.811 177.300 0.392 0.000 1.199 605 P CA 0.437 63.703 63.100 0.277 0.000 0.763 605 P CB 0.465 32.303 31.700 0.229 0.000 0.790 606 M N 3.930 123.704 119.600 0.290 0.000 2.849 606 M HA 0.730 5.211 4.480 0.002 0.000 0.299 606 M C -2.952 173.391 176.300 0.073 0.000 1.223 606 M CA -2.871 52.516 55.300 0.145 0.000 0.856 606 M CB 0.067 32.697 32.600 0.050 0.000 1.680 606 M HN -0.099 nan 8.290 nan 0.000 0.506 607 P HA 0.286 nan 4.420 nan 0.000 0.271 607 P C 0.098 177.393 177.300 -0.008 0.000 1.218 607 P CA 0.177 63.251 63.100 -0.044 0.000 0.780 607 P CB 0.500 32.187 31.700 -0.021 0.000 0.901 608 T N -1.063 113.484 114.554 -0.011 0.000 2.959 608 T HA 0.424 4.775 4.350 0.002 0.000 0.254 608 T C 1.245 175.950 174.700 0.008 0.000 1.003 608 T CA 0.458 62.562 62.100 0.006 0.000 0.950 608 T CB -0.425 68.451 68.868 0.014 0.000 1.090 608 T HN 0.411 nan 8.240 nan 0.000 0.503 609 A N 2.207 125.033 122.820 0.011 0.000 5.138 609 A HA -0.348 3.973 4.320 0.002 0.000 0.356 609 A C 2.045 179.642 177.584 0.021 0.000 1.635 609 A CA 2.565 54.617 52.037 0.025 0.000 0.691 609 A CB -2.031 17.000 19.000 0.051 0.000 1.508 609 A HN 0.587 nan 8.150 nan 0.000 0.410 610 S N -0.620 115.108 115.700 0.046 0.000 2.470 610 S HA 0.046 4.517 4.470 0.002 0.000 0.225 610 S C 1.935 176.480 174.600 -0.091 0.000 1.006 610 S CA 1.853 60.075 58.200 0.036 0.000 0.934 610 S CB -0.382 62.928 63.200 0.184 0.000 0.778 610 S HN 1.365 nan 8.310 nan 0.000 0.517 611 T N 0.234 114.735 114.554 -0.088 0.000 3.055 611 T HA 0.003 4.354 4.350 0.002 0.000 0.265 611 T C 1.829 176.466 174.700 -0.105 0.000 1.111 611 T CA 1.168 63.176 62.100 -0.153 0.000 1.118 611 T CB -0.285 68.523 68.868 -0.101 0.000 0.909 611 T HN 0.403 nan 8.240 nan 0.000 0.501 612 S N 0.665 116.333 115.700 -0.053 0.000 2.439 612 S HA 0.050 4.521 4.470 0.002 0.000 0.224 612 S C 2.121 176.672 174.600 -0.081 0.000 1.029 612 S CA 0.120 58.306 58.200 -0.023 0.000 0.946 612 S CB -0.404 62.819 63.200 0.039 0.000 0.797 612 S HN 0.464 nan 8.310 nan 0.000 0.504 613 Q N 1.379 121.128 119.800 -0.085 0.000 2.014 613 Q HA -0.050 4.291 4.340 0.002 0.000 0.207 613 Q C 2.035 177.887 176.000 -0.247 0.000 0.993 613 Q CA 2.262 57.997 55.803 -0.113 0.000 0.850 613 Q CB -0.635 28.087 28.738 -0.028 0.000 0.916 613 Q HN 0.629 nan 8.270 nan 0.000 0.417 614 I N 0.256 120.673 120.570 -0.255 0.000 2.194 614 I HA -0.320 3.851 4.170 0.002 0.000 0.246 614 I C 1.778 177.781 176.117 -0.190 0.000 1.093 614 I CA 1.181 62.300 61.300 -0.301 0.000 1.355 614 I CB -0.317 37.441 38.000 -0.403 0.000 1.046 614 I HN 0.241 nan 8.210 nan 0.000 0.413 615 L N 0.234 121.321 121.223 -0.226 0.000 2.554 615 L HA 0.170 4.511 4.340 0.002 0.000 0.226 615 L C 1.625 178.105 176.870 -0.650 0.000 1.137 615 L CA 0.634 55.272 54.840 -0.337 0.000 0.863 615 L CB -0.665 41.199 42.059 -0.325 0.000 0.985 615 L HN 0.571 nan 8.230 nan 0.000 0.451 616 G N -0.630 107.872 108.800 -0.497 0.000 2.143 616 G HA2 -0.298 3.663 3.960 0.002 0.000 0.249 616 G HA3 -0.298 3.663 3.960 0.002 0.000 0.249 616 G C 0.023 174.759 174.900 -0.274 0.000 0.981 616 G CA -0.131 44.690 45.100 -0.464 0.000 0.665 616 G HN 0.388 nan 8.290 nan 0.000 0.528 617 Y N -0.326 119.949 120.300 -0.042 0.000 2.596 617 Y HA 0.535 5.086 4.550 0.002 0.000 0.326 617 Y C 0.908 176.815 175.900 0.012 0.000 1.167 617 Y CA -1.189 56.920 58.100 0.016 0.000 1.246 617 Y CB 0.824 39.290 38.460 0.010 0.000 1.347 617 Y HN 0.076 nan 8.280 nan 0.000 0.515 618 N N 1.115 119.955 118.700 0.233 0.000 2.524 618 N HA -0.033 4.708 4.740 0.002 0.000 0.283 618 N C -0.656 174.893 175.510 0.065 0.000 1.142 618 N CA -0.273 52.849 53.050 0.119 0.000 0.984 618 N CB 0.737 39.319 38.487 0.159 0.000 1.155 618 N HN 0.652 nan 8.380 nan 0.000 0.467 619 E N 2.426 122.631 120.200 0.009 0.000 3.298 619 E HA -0.157 4.194 4.350 0.002 0.000 0.224 619 E C 1.476 178.027 176.600 -0.082 0.000 1.033 619 E CA 0.309 56.690 56.400 -0.033 0.000 0.929 619 E CB -1.010 28.670 29.700 -0.033 0.000 0.920 619 E HN 0.778 nan 8.360 nan 0.000 0.564 620 C N 2.767 122.028 119.300 -0.066 0.000 5.841 620 C HA -0.358 4.103 4.460 0.002 0.000 0.326 620 C C 1.582 176.596 174.990 0.041 0.000 2.422 620 C CA 1.754 60.732 59.018 -0.066 0.000 2.192 620 C CB -1.755 25.834 27.740 -0.252 0.000 3.221 620 C HN 0.827 nan 8.230 nan 0.000 0.263 621 F N 3.408 123.462 119.950 0.173 0.000 2.746 621 F HA 0.495 5.023 4.527 0.001 0.000 0.320 621 F C 0.638 176.613 175.800 0.291 0.000 1.097 621 F CA -0.068 58.066 58.000 0.224 0.000 1.195 621 F CB -0.904 38.249 39.000 0.254 0.000 1.056 621 F HN 0.851 nan 8.300 nan 0.000 0.562 622 E N 2.368 122.566 120.200 -0.003 0.000 2.371 622 E HA 0.397 4.748 4.350 0.002 0.000 0.257 622 E C -2.699 173.900 176.600 -0.002 0.000 1.134 622 E CA -2.012 54.425 56.400 0.061 0.000 0.919 622 E CB 0.104 29.791 29.700 -0.021 0.000 1.025 622 E HN 0.022 nan 8.360 nan 0.000 0.438 623 P HA 0.024 nan 4.420 nan 0.000 0.289 623 P C -0.545 176.657 177.300 -0.164 0.000 1.299 623 P CA -0.637 62.270 63.100 -0.322 0.000 0.766 623 P CB 0.270 31.477 31.700 -0.822 0.000 1.226 624 V N -2.381 117.512 119.914 -0.036 0.000 2.637 624 V HA 0.169 4.290 4.120 0.002 0.000 0.296 624 V C 1.316 177.380 176.094 -0.050 0.000 1.046 624 V CA 0.592 62.939 62.300 0.077 0.000 1.066 624 V CB -0.285 31.656 31.823 0.196 0.000 0.968 624 V HN 0.764 nan 8.190 nan 0.000 0.483 625 T N 0.622 115.195 114.554 0.031 0.000 3.043 625 T HA 0.151 4.502 4.350 0.002 0.000 0.263 625 T C 0.841 175.551 174.700 0.016 0.000 1.094 625 T CA 0.824 62.891 62.100 -0.054 0.000 1.127 625 T CB 0.024 68.956 68.868 0.106 0.000 0.905 625 T HN 1.076 nan 8.240 nan 0.000 0.490 626 S N -0.598 115.024 115.700 -0.130 0.000 2.565 626 S HA 0.424 4.895 4.470 0.002 0.000 0.269 626 S C -0.695 173.812 174.600 -0.156 0.000 1.153 626 S CA -0.853 57.224 58.200 -0.205 0.000 0.835 626 S CB 1.286 64.219 63.200 -0.446 0.000 1.122 626 S HN 0.129 nan 8.310 nan 0.000 0.462 627 N N 1.456 120.117 118.700 -0.065 0.000 2.336 627 N HA 0.233 4.974 4.740 0.002 0.000 0.189 627 N C -0.759 174.727 175.510 -0.039 0.000 1.113 627 N CA 0.424 53.465 53.050 -0.014 0.000 0.858 627 N CB 0.151 38.641 38.487 0.006 0.000 0.970 627 N HN 0.472 nan 8.380 nan 0.000 0.471 628 M N 0.778 120.302 119.600 -0.127 0.000 2.106 628 M HA 0.252 4.733 4.480 0.002 0.000 0.288 628 M C -1.396 174.760 176.300 -0.240 0.000 0.941 628 M CA -0.530 54.715 55.300 -0.092 0.000 0.934 628 M CB 1.014 33.590 32.600 -0.039 0.000 1.551 628 M HN -0.084 nan 8.290 nan 0.000 0.437 629 Y N 1.089 121.377 120.300 -0.020 0.000 2.330 629 Y HA 0.531 5.082 4.550 0.002 0.000 0.336 629 Y C 1.128 176.979 175.900 -0.083 0.000 1.036 629 Y CA 0.320 58.389 58.100 -0.052 0.000 1.125 629 Y CB 1.436 39.844 38.460 -0.087 0.000 1.194 629 Y HN 0.894 nan 8.280 nan 0.000 0.469 639 Q N 1.975 121.946 119.800 0.285 0.000 3.684 639 Q HA 0.145 4.486 4.340 0.002 0.000 0.113 639 Q C -2.716 173.320 176.000 0.060 0.000 0.940 639 Q CA -0.022 55.859 55.803 0.130 0.000 1.324 639 Q CB -0.806 28.011 28.738 0.131 0.000 0.955 639 Q HN 0.421 nan 8.270 nan 0.000 0.597 640 V N 2.741 122.654 119.914 -0.002 0.000 2.709 640 V HA 0.738 4.859 4.120 0.002 0.000 0.308 640 V C 0.347 176.454 176.094 0.021 0.000 1.062 640 V CA -0.628 61.665 62.300 -0.011 0.000 0.901 640 V CB 1.624 33.404 31.823 -0.071 0.000 1.003 640 V HN 0.624 nan 8.190 nan 0.000 0.425 641 V N 3.301 123.222 119.914 0.011 0.000 2.607 641 V HA 0.438 4.559 4.120 0.002 0.000 0.289 641 V C 0.628 176.672 176.094 -0.084 0.000 1.053 641 V CA -0.411 61.872 62.300 -0.029 0.000 0.996 641 V CB 1.466 33.249 31.823 -0.067 0.000 0.995 641 V HN 1.062 nan 8.190 nan 0.000 0.476 642 N N 8.282 126.946 118.700 -0.059 0.000 2.160 642 N HA -0.013 4.728 4.740 0.002 0.000 0.283 642 N C -1.353 174.004 175.510 -0.256 0.000 1.363 642 N CA -0.419 52.577 53.050 -0.091 0.000 0.848 642 N CB 1.002 39.477 38.487 -0.019 0.000 1.127 642 N HN 0.582 nan 8.380 nan 0.000 0.493 643 P HA -0.166 nan 4.420 nan 0.000 0.218 643 P C 0.644 177.714 177.300 -0.384 0.000 1.148 643 P CA 1.577 64.431 63.100 -0.409 0.000 0.822 643 P CB -0.067 31.361 31.700 -0.452 0.000 0.784 644 Y N -0.204 120.094 120.300 -0.003 0.000 2.184 644 Y HA -0.064 4.487 4.550 0.002 0.000 0.290 644 Y C 2.695 178.532 175.900 -0.104 0.000 1.129 644 Y CA 0.068 58.200 58.100 0.053 0.000 1.144 644 Y CB -1.601 37.008 38.460 0.247 0.000 0.995 644 Y HN -0.171 nan 8.280 nan 0.000 0.513 645 L N 0.200 121.217 121.223 -0.343 0.000 2.043 645 L HA -0.204 4.137 4.340 0.002 0.000 0.212 645 L C 2.197 178.825 176.870 -0.403 0.000 1.075 645 L CA 1.392 55.781 54.840 -0.752 0.000 0.752 645 L CB -0.792 40.744 42.059 -0.872 0.000 0.891 645 L HN 0.286 nan 8.230 nan 0.000 0.432 646 L N 0.111 121.101 121.223 -0.388 0.000 1.970 646 L HA -0.224 4.117 4.340 0.002 0.000 0.212 646 L C 2.783 179.417 176.870 -0.392 0.000 1.071 646 L CA 2.350 56.878 54.840 -0.520 0.000 0.751 646 L CB -1.031 40.722 42.059 -0.510 0.000 0.889 646 L HN 0.428 nan 8.230 nan 0.000 0.432 647 R N -0.113 120.252 120.500 -0.225 0.000 2.133 647 R HA -0.213 4.128 4.340 0.002 0.000 0.247 647 R C 1.844 178.104 176.300 -0.066 0.000 1.151 647 R CA 2.166 58.198 56.100 -0.113 0.000 0.971 647 R CB -0.717 29.572 30.300 -0.018 0.000 0.866 647 R HN 0.507 nan 8.270 nan 0.000 0.447 648 D N -0.283 120.092 120.400 -0.041 0.000 2.194 648 D HA -0.059 4.582 4.640 0.002 0.000 0.204 648 D C 1.841 178.140 176.300 -0.001 0.000 0.964 648 D CA 1.083 55.095 54.000 0.020 0.000 0.846 648 D CB 0.007 40.870 40.800 0.105 0.000 0.962 648 D HN 0.313 nan 8.370 nan 0.000 0.490 649 L N 0.116 121.300 121.223 -0.065 0.000 2.156 649 L HA -0.067 4.274 4.340 0.002 0.000 0.208 649 L C 2.443 179.351 176.870 0.064 0.000 1.095 649 L CA 0.323 55.169 54.840 0.010 0.000 0.770 649 L CB -0.214 41.861 42.059 0.028 0.000 0.914 649 L HN -0.091 nan 8.230 nan 0.000 0.439 650 V N -0.087 119.803 119.914 -0.040 0.000 2.270 650 V HA -0.280 3.840 4.120 0.002 0.000 0.245 650 V C 1.842 177.960 176.094 0.041 0.000 1.043 650 V CA 1.939 64.252 62.300 0.022 0.000 1.014 650 V CB -0.459 31.328 31.823 -0.061 0.000 0.645 650 V HN 0.381 nan 8.190 nan 0.000 0.447 651 D N -0.353 120.057 120.400 0.018 0.000 2.393 651 D HA -0.113 4.528 4.640 0.002 0.000 0.220 651 D C 1.448 177.772 176.300 0.041 0.000 0.974 651 D CA 1.099 55.117 54.000 0.030 0.000 0.931 651 D CB -0.054 40.764 40.800 0.029 0.000 0.889 651 D HN 0.372 nan 8.370 nan 0.000 0.512 652 L N -1.970 119.285 121.223 0.052 0.000 2.858 652 L HA 0.259 4.600 4.340 0.002 0.000 0.251 652 L C 1.672 178.579 176.870 0.062 0.000 1.149 652 L CA 0.155 55.028 54.840 0.054 0.000 0.955 652 L CB 0.639 42.731 42.059 0.055 0.000 1.289 652 L HN 0.106 nan 8.230 nan 0.000 0.542 653 G N 1.551 110.398 108.800 0.078 0.000 2.270 653 G HA2 -0.380 3.581 3.960 0.002 0.000 0.268 653 G HA3 -0.380 3.581 3.960 0.002 0.000 0.268 653 G C 0.981 175.942 174.900 0.103 0.000 0.982 653 G CA 0.914 46.066 45.100 0.086 0.000 0.628 653 G HN 0.538 nan 8.290 nan 0.000 0.544 654 I N -2.778 117.856 120.570 0.106 0.000 3.334 654 I HA 0.184 4.355 4.170 0.002 0.000 0.282 654 I C 1.716 177.927 176.117 0.157 0.000 1.313 654 I CA 0.065 61.421 61.300 0.094 0.000 1.396 654 I CB -0.223 37.815 38.000 0.064 0.000 1.054 654 I HN 0.393 nan 8.210 nan 0.000 0.495 655 W N 5.126 126.418 121.300 -0.014 0.000 3.377 655 W HA -0.015 4.646 4.660 0.001 0.000 0.284 655 W C -0.097 176.417 176.519 -0.008 0.000 1.324 655 W CA -0.644 56.693 57.345 -0.013 0.000 1.568 655 W CB -0.400 29.054 29.460 -0.011 0.000 1.028 655 W HN 0.461 nan 8.180 nan 0.000 0.753 656 D N -0.286 120.048 120.400 -0.110 0.000 2.362 656 D HA -0.172 4.469 4.640 0.002 0.000 0.238 656 D C 1.113 177.219 176.300 -0.324 0.000 1.212 656 D CA 0.125 54.009 54.000 -0.193 0.000 0.902 656 D CB 0.618 41.364 40.800 -0.090 0.000 1.180 656 D HN -0.148 nan 8.370 nan 0.000 0.445 657 E N 0.151 120.190 120.200 -0.268 0.000 2.265 657 E HA -0.046 4.305 4.350 0.002 0.000 0.196 657 E C 2.021 178.506 176.600 -0.192 0.000 0.996 657 E CA 1.001 57.237 56.400 -0.274 0.000 0.832 657 E CB -0.791 28.802 29.700 -0.179 0.000 0.756 657 E HN 0.661 nan 8.360 nan 0.000 0.491 658 G N -0.338 108.382 108.800 -0.133 0.000 3.194 658 G HA2 -0.104 3.857 3.960 0.002 0.000 0.208 658 G HA3 -0.104 3.857 3.960 0.002 0.000 0.208 658 G C 0.924 175.781 174.900 -0.072 0.000 1.240 658 G CA 0.455 45.514 45.100 -0.068 0.000 1.044 658 G HN 0.169 nan 8.290 nan 0.000 0.495 659 M N -1.290 118.233 119.600 -0.129 0.000 2.260 659 M HA 0.180 4.661 4.480 0.002 0.000 0.189 659 M C 2.036 178.302 176.300 -0.057 0.000 1.833 659 M CA -0.041 55.214 55.300 -0.075 0.000 1.037 659 M CB -0.399 32.167 32.600 -0.057 0.000 1.463 659 M HN 0.133 nan 8.290 nan 0.000 0.594 660 K N 1.046 121.210 120.400 -0.394 0.000 2.127 660 K HA -0.228 4.093 4.320 0.002 0.000 0.208 660 K C 1.883 178.473 176.600 -0.017 0.000 1.047 660 K CA 1.776 57.944 56.287 -0.198 0.000 0.927 660 K CB 0.012 32.298 32.500 -0.358 0.000 0.716 660 K HN 0.286 nan 8.250 nan 0.000 0.450 661 Q N -0.309 119.466 119.800 -0.042 0.000 1.969 661 Q HA -0.178 4.163 4.340 0.002 0.000 0.198 661 Q C 2.058 178.091 176.000 0.056 0.000 0.978 661 Q CA 1.625 57.429 55.803 0.002 0.000 0.830 661 Q CB -0.556 28.171 28.738 -0.018 0.000 0.896 661 Q HN 0.408 nan 8.270 nan 0.000 0.431 662 Y N 1.329 121.607 120.300 -0.037 0.000 2.029 662 Y HA -0.357 4.194 4.550 0.002 0.000 0.269 662 Y C 2.177 178.080 175.900 0.004 0.000 1.201 662 Y CA 2.088 60.180 58.100 -0.013 0.000 1.115 662 Y CB -0.703 37.754 38.460 -0.007 0.000 0.945 662 Y HN 0.181 nan 8.280 nan 0.000 0.497 663 L N 0.490 121.924 121.223 0.353 0.000 1.990 663 L HA -0.266 4.075 4.340 0.002 0.000 0.213 663 L C 2.506 179.417 176.870 0.069 0.000 1.072 663 L CA 2.407 57.405 54.840 0.263 0.000 0.755 663 L CB -1.075 41.140 42.059 0.261 0.000 0.889 663 L HN 0.558 nan 8.230 nan 0.000 0.432 664 I N -3.040 117.556 120.570 0.044 0.000 2.179 664 I HA -0.185 3.986 4.170 0.002 0.000 0.242 664 I C 1.422 177.503 176.117 -0.060 0.000 1.088 664 I CA 1.601 62.898 61.300 -0.004 0.000 1.357 664 I CB -1.561 36.446 38.000 0.012 0.000 1.051 664 I HN 0.338 nan 8.210 nan 0.000 0.409 665 T N -1.156 113.339 114.554 -0.097 0.000 3.535 665 T HA 0.259 4.610 4.350 0.002 0.000 0.238 665 T C 0.751 175.302 174.700 -0.248 0.000 0.909 665 T CA -0.168 61.844 62.100 -0.147 0.000 0.928 665 T CB 0.066 68.856 68.868 -0.130 0.000 1.134 665 T HN 0.396 nan 8.240 nan 0.000 0.627 666 Q N 0.461 120.126 119.800 -0.225 0.000 1.988 666 Q HA 0.223 4.564 4.340 0.002 0.000 0.199 666 Q C 0.279 176.208 176.000 -0.119 0.000 0.767 666 Q CA -0.162 55.495 55.803 -0.243 0.000 0.966 666 Q CB 0.483 28.974 28.738 -0.412 0.000 1.219 666 Q HN 0.460 nan 8.270 nan 0.000 0.432 667 N N -0.209 118.433 118.700 -0.096 0.000 2.994 667 N HA -0.157 4.584 4.740 0.002 0.000 0.221 667 N C 0.573 176.058 175.510 -0.041 0.000 0.900 667 N CA 1.543 54.547 53.050 -0.076 0.000 1.008 667 N CB -1.083 37.346 38.487 -0.096 0.000 1.053 667 N HN 0.445 nan 8.380 nan 0.000 0.580 668 G N -0.195 108.599 108.800 -0.009 0.000 2.204 668 G HA2 -0.202 3.759 3.960 0.002 0.000 0.244 668 G HA3 -0.202 3.759 3.960 0.002 0.000 0.244 668 G C -0.165 174.777 174.900 0.071 0.000 1.062 668 G CA 0.854 45.970 45.100 0.026 0.000 0.798 668 G HN 0.915 nan 8.290 nan 0.000 0.496 669 S N -0.912 114.848 115.700 0.101 0.000 2.565 669 S HA 0.749 5.220 4.470 0.002 0.000 0.290 669 S C 1.484 176.210 174.600 0.209 0.000 1.150 669 S CA -0.187 58.096 58.200 0.138 0.000 1.058 669 S CB 1.053 64.320 63.200 0.111 0.000 1.032 669 S HN 1.145 nan 8.310 nan 0.000 0.510 670 I N 0.342 121.021 120.570 0.180 0.000 4.288 670 I HA 0.348 4.519 4.170 0.002 0.000 0.331 670 I C 0.034 176.233 176.117 0.137 0.000 1.322 670 I CA -0.602 60.796 61.300 0.164 0.000 1.149 670 I CB -0.044 38.035 38.000 0.132 0.000 1.112 670 I HN 0.368 nan 8.210 nan 0.000 0.403 671 Q N 2.810 122.693 119.800 0.139 0.000 2.333 671 Q HA 0.101 4.442 4.340 0.002 0.000 0.299 671 Q C 1.251 177.324 176.000 0.120 0.000 1.067 671 Q CA 1.295 57.167 55.803 0.114 0.000 0.943 671 Q CB -0.098 28.703 28.738 0.107 0.000 1.233 671 Q HN 0.629 nan 8.270 nan 0.000 0.401 672 G N 1.837 110.691 108.800 0.090 0.000 2.258 672 G HA2 -0.292 3.669 3.960 0.002 0.000 0.274 672 G HA3 -0.292 3.669 3.960 0.002 0.000 0.274 672 G C -0.088 174.870 174.900 0.097 0.000 1.021 672 G CA 0.247 45.402 45.100 0.091 0.000 0.798 672 G HN 0.456 nan 8.290 nan 0.000 0.507 673 L N 0.359 121.596 121.223 0.023 0.000 2.371 673 L HA 0.331 4.672 4.340 0.002 0.000 0.272 673 L C 0.073 176.901 176.870 -0.070 0.000 1.124 673 L CA -1.813 52.943 54.840 -0.141 0.000 0.816 673 L CB 1.319 43.235 42.059 -0.239 0.000 1.129 673 L HN -0.010 nan 8.230 nan 0.000 0.448 674 P HA -0.064 nan 4.420 nan 0.000 0.222 674 P C 0.303 177.586 177.300 -0.030 0.000 1.153 674 P CA 0.932 64.012 63.100 -0.033 0.000 0.798 674 P CB 0.267 31.951 31.700 -0.026 0.000 0.796 675 N N -0.502 118.168 118.700 -0.049 0.000 2.401 675 N HA 0.196 4.937 4.740 0.002 0.000 0.264 675 N C -1.316 174.190 175.510 -0.008 0.000 1.238 675 N CA -0.174 52.861 53.050 -0.024 0.000 0.889 675 N CB 0.305 38.776 38.487 -0.027 0.000 1.196 675 N HN -0.224 nan 8.380 nan 0.000 0.511 676 V N 1.503 121.417 119.914 -0.000 0.000 2.531 676 V HA 0.511 4.632 4.120 0.002 0.000 0.301 676 V C -2.116 174.002 176.094 0.039 0.000 1.034 676 V CA -1.793 60.522 62.300 0.024 0.000 0.865 676 V CB 1.865 33.703 31.823 0.025 0.000 0.995 676 V HN 0.128 nan 8.190 nan 0.000 0.424 677 P HA 0.063 nan 4.420 nan 0.000 0.267 677 P C 0.473 177.805 177.300 0.054 0.000 1.200 677 P CA 0.009 63.137 63.100 0.047 0.000 0.772 677 P CB 0.662 32.393 31.700 0.051 0.000 0.855 678 Q N 2.562 122.387 119.800 0.042 0.000 2.226 678 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 678 Q C 1.727 177.750 176.000 0.039 0.000 0.975 678 Q CA 2.089 57.916 55.803 0.041 0.000 0.866 678 Q CB -0.443 28.313 28.738 0.030 0.000 0.915 678 Q HN 0.632 nan 8.270 nan 0.000 0.440 679 E N -0.678 119.542 120.200 0.035 0.000 2.106 679 E HA -0.151 4.200 4.350 0.002 0.000 0.192 679 E C 1.745 178.360 176.600 0.025 0.000 0.984 679 E CA 1.169 57.580 56.400 0.019 0.000 0.806 679 E CB -0.494 29.214 29.700 0.012 0.000 0.750 679 E HN 0.390 nan 8.360 nan 0.000 0.458 680 L N 0.591 121.862 121.223 0.081 0.000 2.056 680 L HA -0.101 4.239 4.340 0.002 0.000 0.207 680 L C 2.496 179.484 176.870 0.196 0.000 1.078 680 L CA 1.329 56.274 54.840 0.176 0.000 0.749 680 L CB -0.599 41.613 42.059 0.254 0.000 0.901 680 L HN 0.176 nan 8.230 nan 0.000 0.433 681 K N 0.213 120.697 120.400 0.140 0.000 2.059 681 K HA -0.233 4.088 4.320 0.002 0.000 0.212 681 K C 1.565 178.221 176.600 0.094 0.000 1.050 681 K CA 1.679 58.041 56.287 0.125 0.000 0.927 681 K CB -0.451 32.100 32.500 0.086 0.000 0.714 681 K HN 0.408 nan 8.250 nan 0.000 0.447 682 D N 0.592 121.019 120.400 0.044 0.000 2.224 682 D HA -0.093 4.548 4.640 0.002 0.000 0.205 682 D C 1.859 178.144 176.300 -0.024 0.000 0.965 682 D CA 0.528 54.537 54.000 0.016 0.000 0.852 682 D CB 0.034 40.834 40.800 -0.001 0.000 0.947 682 D HN 0.051 nan 8.370 nan 0.000 0.494 683 L N -0.824 120.333 121.223 -0.110 0.000 2.446 683 L HA 0.014 4.355 4.340 0.002 0.000 0.219 683 L C 0.430 177.080 176.870 -0.367 0.000 1.116 683 L CA 0.996 55.651 54.840 -0.308 0.000 0.844 683 L CB 0.049 41.779 42.059 -0.549 0.000 0.970 683 L HN -0.067 nan 8.230 nan 0.000 0.457 684 Y N -0.320 120.039 120.300 0.098 0.000 2.672 684 Y HA 0.316 4.867 4.550 0.002 0.000 0.272 684 Y C 0.239 176.193 175.900 0.091 0.000 1.055 684 Y CA -0.940 57.224 58.100 0.107 0.000 1.151 684 Y CB 0.109 38.633 38.460 0.106 0.000 1.190 684 Y HN -0.136 nan 8.280 nan 0.000 0.574 685 K N 1.013 121.516 120.400 0.171 0.000 2.448 685 K HA 0.100 4.421 4.320 0.002 0.000 0.278 685 K C 0.480 177.139 176.600 0.097 0.000 1.009 685 K CA 0.156 56.517 56.287 0.123 0.000 0.995 685 K CB 0.675 33.224 32.500 0.081 0.000 0.917 685 K HN 0.094 nan 8.250 nan 0.000 0.481 686 T N 1.225 115.837 114.554 0.096 0.000 2.860 686 T HA -0.043 4.308 4.350 0.002 0.000 0.299 686 T C 1.476 176.131 174.700 -0.074 0.000 1.045 686 T CA -0.366 61.770 62.100 0.060 0.000 1.071 686 T CB 1.260 70.234 68.868 0.177 0.000 0.985 686 T HN 0.433 nan 8.240 nan 0.000 0.537 687 V N 2.325 122.054 119.914 -0.308 0.000 2.720 687 V HA -0.107 4.014 4.120 0.002 0.000 0.256 687 V C 1.310 177.112 176.094 -0.487 0.000 1.082 687 V CA 1.591 63.527 62.300 -0.606 0.000 1.101 687 V CB -0.594 30.522 31.823 -1.180 0.000 0.693 687 V HN 0.948 nan 8.190 nan 0.000 0.479 688 W N 0.173 121.397 121.300 -0.126 0.000 2.525 688 W HA 0.007 4.668 4.660 0.001 0.000 0.259 688 W C 2.164 178.687 176.519 0.006 0.000 1.253 688 W CA 0.796 58.137 57.345 -0.006 0.000 1.262 688 W CB -0.055 29.417 29.460 0.019 0.000 1.122 688 W HN 0.288 nan 8.180 nan 0.000 0.607 689 E N -0.355 119.941 120.200 0.160 0.000 2.498 689 E HA 0.171 4.522 4.350 0.002 0.000 0.203 689 E C 0.034 176.671 176.600 0.063 0.000 1.013 689 E CA -0.116 56.355 56.400 0.118 0.000 0.927 689 E CB 0.349 30.119 29.700 0.116 0.000 1.012 689 E HN 0.134 nan 8.360 nan 0.000 0.482 690 I N 1.160 121.737 120.570 0.012 0.000 2.354 690 I HA 0.073 4.244 4.170 0.002 0.000 0.292 690 I C 0.203 176.342 176.117 0.037 0.000 0.989 690 I CA -0.555 60.750 61.300 0.009 0.000 1.188 690 I CB 1.739 39.697 38.000 -0.070 0.000 1.342 690 I HN -0.107 nan 8.210 nan 0.000 0.457 691 S N 4.893 120.630 115.700 0.063 0.000 2.575 691 S HA -0.054 4.417 4.470 0.002 0.000 0.295 691 S C 1.250 175.903 174.600 0.088 0.000 1.267 691 S CA -0.348 57.894 58.200 0.070 0.000 1.074 691 S CB 0.431 63.666 63.200 0.058 0.000 0.829 691 S HN 0.515 nan 8.310 nan 0.000 0.497 692 Q N 3.783 123.641 119.800 0.098 0.000 2.449 692 Q HA -0.120 4.221 4.340 0.002 0.000 0.214 692 Q C 1.730 177.828 176.000 0.164 0.000 0.986 692 Q CA 1.219 57.102 55.803 0.134 0.000 0.893 692 Q CB -0.205 28.616 28.738 0.138 0.000 0.940 692 Q HN 0.755 nan 8.270 nan 0.000 0.477 693 K N -0.505 119.964 120.400 0.114 0.000 2.116 693 K HA -0.045 4.276 4.320 0.002 0.000 0.203 693 K C 1.879 178.609 176.600 0.218 0.000 1.052 693 K CA 1.241 57.598 56.287 0.116 0.000 0.952 693 K CB 0.274 32.733 32.500 -0.068 0.000 0.729 693 K HN 0.081 nan 8.250 nan 0.000 0.446 694 T N 1.949 116.605 114.554 0.170 0.000 2.701 694 T HA -0.093 4.258 4.350 0.002 0.000 0.263 694 T C 1.734 176.580 174.700 0.243 0.000 1.040 694 T CA 1.091 63.304 62.100 0.187 0.000 1.147 694 T CB -0.087 68.884 68.868 0.171 0.000 0.865 694 T HN 0.062 nan 8.240 nan 0.000 0.426 695 I N 1.430 122.153 120.570 0.254 0.000 2.113 695 I HA -0.187 3.984 4.170 0.002 0.000 0.242 695 I C 2.392 178.673 176.117 0.274 0.000 1.064 695 I CA 1.600 63.078 61.300 0.296 0.000 1.320 695 I CB -1.308 36.833 38.000 0.235 0.000 1.028 695 I HN 0.285 nan 8.210 nan 0.000 0.406 696 I N 0.612 121.341 120.570 0.264 0.000 2.286 696 I HA -0.293 3.878 4.170 0.002 0.000 0.248 696 I C 2.266 178.492 176.117 0.181 0.000 1.115 696 I CA 1.060 62.504 61.300 0.240 0.000 1.392 696 I CB -0.486 37.700 38.000 0.310 0.000 1.065 696 I HN 0.293 nan 8.210 nan 0.000 0.418 697 N N 0.872 119.697 118.700 0.209 0.000 2.084 697 N HA -0.160 4.581 4.740 0.002 0.000 0.190 697 N C 1.901 177.455 175.510 0.073 0.000 1.030 697 N CA 1.544 54.672 53.050 0.131 0.000 0.849 697 N CB -0.279 38.299 38.487 0.151 0.000 1.012 697 N HN 0.347 nan 8.380 nan 0.000 0.423 698 M N 0.304 119.967 119.600 0.105 0.000 2.229 698 M HA -0.043 4.438 4.480 0.002 0.000 0.264 698 M C 2.130 178.436 176.300 0.011 0.000 1.063 698 M CA 1.088 56.423 55.300 0.058 0.000 1.114 698 M CB -0.137 32.532 32.600 0.114 0.000 1.387 698 M HN 0.131 nan 8.290 nan 0.000 0.420 699 A N 0.378 123.251 122.820 0.088 0.000 1.898 699 A HA -0.012 4.308 4.320 0.002 0.000 0.216 699 A C 2.360 179.950 177.584 0.011 0.000 1.181 699 A CA 1.780 53.883 52.037 0.110 0.000 0.620 699 A CB -0.823 18.281 19.000 0.173 0.000 0.819 699 A HN 0.475 nan 8.150 nan 0.000 0.442 700 A N 0.003 122.819 122.820 -0.008 0.000 1.930 700 A HA -0.144 4.177 4.320 0.002 0.000 0.217 700 A C 1.768 179.208 177.584 -0.240 0.000 1.175 700 A CA 1.782 53.779 52.037 -0.066 0.000 0.627 700 A CB -0.517 18.479 19.000 -0.006 0.000 0.815 700 A HN 0.462 nan 8.150 nan 0.000 0.443 701 D N -0.058 120.235 120.400 -0.179 0.000 2.087 701 D HA -0.199 4.442 4.640 0.002 0.000 0.192 701 D C 2.230 178.331 176.300 -0.331 0.000 0.993 701 D CA 1.919 55.793 54.000 -0.211 0.000 0.828 701 D CB -0.457 40.279 40.800 -0.108 0.000 0.968 701 D HN 0.727 nan 8.370 nan 0.000 0.448 702 R N 0.707 120.997 120.500 -0.350 0.000 2.148 702 R HA 0.052 4.393 4.340 0.002 0.000 0.227 702 R C 1.994 177.933 176.300 -0.602 0.000 1.103 702 R CA 1.179 56.985 56.100 -0.490 0.000 0.983 702 R CB -0.439 29.234 30.300 -1.044 0.000 0.874 702 R HN -0.124 nan 8.270 nan 0.000 0.451 703 S N 1.117 116.438 115.700 -0.632 0.000 2.440 703 S HA -0.093 4.378 4.470 0.002 0.000 0.238 703 S C 1.877 175.808 174.600 -1.115 0.000 1.010 703 S CA 1.322 59.112 58.200 -0.684 0.000 0.972 703 S CB -0.100 62.794 63.200 -0.510 0.000 0.774 703 S HN 0.481 nan 8.310 nan 0.000 0.501 704 V N -1.880 117.178 119.914 -1.427 0.000 3.380 704 V HA 0.092 4.213 4.120 0.002 0.000 0.268 704 V C 0.986 176.536 176.094 -0.907 0.000 1.168 704 V CA 0.990 62.363 62.300 -1.545 0.000 1.156 704 V CB -1.207 29.880 31.823 -1.226 0.000 0.785 704 V HN 0.591 nan 8.190 nan 0.000 0.487 705 Y N -0.133 119.932 120.300 -0.391 0.000 2.481 705 Y HA 0.521 5.072 4.550 0.002 0.000 0.247 705 Y C 0.861 176.481 175.900 -0.468 0.000 1.151 705 Y CA -0.803 57.145 58.100 -0.253 0.000 1.238 705 Y CB 0.849 39.359 38.460 0.084 0.000 1.179 705 Y HN 0.163 nan 8.280 nan 0.000 0.524 706 I N 1.117 121.496 120.570 -0.318 0.000 2.310 706 I HA 0.071 4.242 4.170 0.002 0.000 0.287 706 I C 0.476 176.481 176.117 -0.188 0.000 1.073 706 I CA -0.311 60.852 61.300 -0.228 0.000 1.216 706 I CB 0.520 38.413 38.000 -0.178 0.000 1.415 706 I HN 0.213 nan 8.210 nan 0.000 0.480 707 D N 3.796 124.046 120.400 -0.250 0.000 2.565 707 D HA -0.247 4.394 4.640 0.002 0.000 0.189 707 D C 1.422 177.717 176.300 -0.008 0.000 1.052 707 D CA 2.126 56.068 54.000 -0.097 0.000 0.889 707 D CB 0.569 41.350 40.800 -0.031 0.000 0.911 707 D HN 0.638 nan 8.370 nan 0.000 0.464 708 Q N -1.323 118.481 119.800 0.006 0.000 3.081 708 Q HA 0.394 4.735 4.340 0.002 0.000 0.214 708 Q C 0.448 176.490 176.000 0.069 0.000 1.170 708 Q CA -0.359 55.466 55.803 0.037 0.000 0.310 708 Q CB 0.645 29.401 28.738 0.031 0.000 5.825 708 Q HN 0.065 nan 8.270 nan 0.000 0.316 709 S N -1.108 114.640 115.700 0.080 0.000 2.840 709 S HA 0.480 4.951 4.470 0.002 0.000 0.307 709 S C -1.900 172.800 174.600 0.167 0.000 1.180 709 S CA -0.651 57.620 58.200 0.119 0.000 0.846 709 S CB 1.219 64.474 63.200 0.092 0.000 1.233 709 S HN 0.618 nan 8.310 nan 0.000 0.548 710 H N -1.224 117.822 119.070 -0.040 0.000 2.961 710 H HA 0.655 5.212 4.556 0.002 0.000 0.371 710 H C -1.210 174.168 175.328 0.083 0.000 1.190 710 H CA -0.925 55.103 56.048 -0.034 0.000 1.138 710 H CB 1.070 30.653 29.762 -0.298 0.000 1.816 710 H HN 0.313 nan 8.280 nan 0.000 0.551 711 S N 2.818 118.680 115.700 0.269 0.000 2.503 711 S HA 0.040 4.510 4.470 0.002 0.000 0.317 711 S C 0.041 174.841 174.600 0.332 0.000 1.162 711 S CA -0.666 57.585 58.200 0.085 0.000 1.124 711 S CB -0.207 62.893 63.200 -0.167 0.000 1.207 711 S HN 0.501 nan 8.310 nan 0.000 0.538 712 L N 4.865 126.197 121.223 0.181 0.000 2.407 712 L HA 0.297 4.638 4.340 0.002 0.000 0.261 712 L C -0.102 176.927 176.870 0.265 0.000 1.108 712 L CA -0.215 54.772 54.840 0.244 0.000 0.995 712 L CB -0.484 41.590 42.059 0.024 0.000 1.349 712 L HN 0.549 nan 8.230 nan 0.000 0.423 713 N N 2.801 121.684 118.700 0.304 0.000 2.441 713 N HA 0.199 4.940 4.740 0.002 0.000 0.251 713 N C -0.911 174.636 175.510 0.062 0.000 1.242 713 N CA -0.215 52.917 53.050 0.135 0.000 0.898 713 N CB 0.787 39.327 38.487 0.089 0.000 1.100 713 N HN 0.317 nan 8.380 nan 0.000 0.443 714 L N 2.820 123.919 121.223 -0.207 0.000 2.386 714 L HA 0.511 4.852 4.340 0.002 0.000 0.271 714 L C -1.315 175.298 176.870 -0.428 0.000 0.993 714 L CA -0.535 54.242 54.840 -0.106 0.000 0.819 714 L CB 1.199 43.266 42.059 0.013 0.000 1.294 714 L HN 0.432 nan 8.230 nan 0.000 0.414 715 F N 4.255 124.128 119.950 -0.128 0.000 2.460 715 F HA 0.603 5.131 4.527 0.001 0.000 0.341 715 F C -0.216 175.565 175.800 -0.031 0.000 1.130 715 F CA -0.563 57.272 58.000 -0.275 0.000 0.962 715 F CB 1.281 39.829 39.000 -0.753 0.000 1.171 715 F HN 0.076 nan 8.300 nan 0.000 0.436 716 L N 3.753 125.152 121.223 0.294 0.000 2.362 716 L HA 0.539 4.880 4.340 0.002 0.000 0.275 716 L C 0.822 177.956 176.870 0.440 0.000 0.998 716 L CA -0.907 54.118 54.840 0.309 0.000 0.820 716 L CB 2.128 44.293 42.059 0.176 0.000 1.270 716 L HN 0.542 nan 8.230 nan 0.000 0.415 717 R N 3.064 123.773 120.500 0.349 0.000 2.056 717 R HA 0.185 4.526 4.340 0.002 0.000 0.220 717 R C 0.590 176.964 176.300 0.124 0.000 1.187 717 R CA 1.458 57.708 56.100 0.250 0.000 0.932 717 R CB -0.303 30.120 30.300 0.205 0.000 0.821 717 R HN 0.670 nan 8.270 nan 0.000 0.449 718 A N 3.160 126.040 122.820 0.101 0.000 3.095 718 A HA 0.380 4.701 4.320 0.002 0.000 0.301 718 A C -2.252 175.375 177.584 0.072 0.000 1.432 718 A CA -1.476 50.601 52.037 0.065 0.000 1.140 718 A CB -0.349 18.682 19.000 0.051 0.000 1.174 718 A HN 0.255 nan 8.150 nan 0.000 0.546 719 P HA 0.136 nan 4.420 nan 0.000 0.266 719 P C 0.169 177.507 177.300 0.064 0.000 1.215 719 P CA 0.658 63.804 63.100 0.077 0.000 0.763 719 P CB 0.804 32.549 31.700 0.076 0.000 0.806 720 T N 0.104 114.701 114.554 0.071 0.000 2.940 720 T HA 0.362 4.713 4.350 0.002 0.000 0.288 720 T C 1.286 176.040 174.700 0.090 0.000 1.033 720 T CA -0.854 61.293 62.100 0.079 0.000 1.033 720 T CB 0.940 69.857 68.868 0.082 0.000 1.079 720 T HN -0.042 nan 8.240 nan 0.000 0.496 721 M N 1.720 121.388 119.600 0.113 0.000 2.267 721 M HA 0.146 4.627 4.480 0.002 0.000 0.263 721 M C 2.310 178.726 176.300 0.193 0.000 1.063 721 M CA 1.661 57.047 55.300 0.144 0.000 1.090 721 M CB -1.311 31.426 32.600 0.229 0.000 1.392 721 M HN 0.958 nan 8.290 nan 0.000 0.422 722 G N -1.092 107.808 108.800 0.167 0.000 2.403 722 G HA2 -0.183 3.778 3.960 0.002 0.000 0.216 722 G HA3 -0.183 3.778 3.960 0.002 0.000 0.216 722 G C 1.772 176.763 174.900 0.151 0.000 1.154 722 G CA 0.525 45.722 45.100 0.161 0.000 0.784 722 G HN 0.393 nan 8.290 nan 0.000 0.538 723 K N -0.393 120.079 120.400 0.120 0.000 2.097 723 K HA 0.183 4.504 4.320 0.002 0.000 0.205 723 K C 2.390 179.057 176.600 0.113 0.000 1.050 723 K CA 0.407 56.756 56.287 0.103 0.000 0.938 723 K CB -0.214 32.337 32.500 0.084 0.000 0.718 723 K HN 0.224 nan 8.250 nan 0.000 0.442 724 L N 0.529 121.817 121.223 0.108 0.000 2.056 724 L HA -0.195 4.146 4.340 0.002 0.000 0.207 724 L C 2.062 179.045 176.870 0.189 0.000 1.078 724 L CA 1.356 56.227 54.840 0.052 0.000 0.749 724 L CB -0.315 41.759 42.059 0.025 0.000 0.901 724 L HN 0.237 nan 8.230 nan 0.000 0.433 725 T N -1.254 113.536 114.554 0.393 0.000 2.803 725 T HA -0.168 4.183 4.350 0.002 0.000 0.269 725 T C 1.990 177.051 174.700 0.603 0.000 1.052 725 T CA 1.646 64.176 62.100 0.716 0.000 1.136 725 T CB -0.040 69.194 68.868 0.609 0.000 0.864 725 T HN 0.283 nan 8.240 nan 0.000 0.467 726 S N 0.389 116.296 115.700 0.345 0.000 2.436 726 S HA 0.184 4.655 4.470 0.002 0.000 0.228 726 S C 1.916 176.726 174.600 0.349 0.000 1.014 726 S CA 0.459 58.834 58.200 0.292 0.000 0.950 726 S CB -0.183 63.107 63.200 0.149 0.000 0.784 726 S HN 0.415 nan 8.310 nan 0.000 0.504 727 M N 0.230 119.995 119.600 0.275 0.000 2.236 727 M HA -0.048 4.433 4.480 0.002 0.000 0.266 727 M C 1.802 178.290 176.300 0.313 0.000 1.070 727 M CA 1.266 56.704 55.300 0.229 0.000 1.137 727 M CB -0.071 32.567 32.600 0.064 0.000 1.378 727 M HN 0.266 nan 8.290 nan 0.000 0.426 728 H N -0.817 118.519 119.070 0.445 0.000 2.363 728 H HA -0.050 4.507 4.556 0.001 0.000 0.301 728 H C 1.805 177.357 175.328 0.374 0.000 1.074 728 H CA 1.531 57.839 56.048 0.433 0.000 1.354 728 H CB -0.409 29.681 29.762 0.546 0.000 1.397 728 H HN 0.371 nan 8.280 nan 0.000 0.516 729 F N -0.416 119.823 119.950 0.482 0.000 2.206 729 F HA -0.149 4.380 4.527 0.003 0.000 0.298 729 F C 2.501 178.526 175.800 0.374 0.000 1.090 729 F CA 0.629 58.871 58.000 0.403 0.000 1.323 729 F CB -0.545 38.613 39.000 0.264 0.000 1.028 729 F HN 0.068 nan 8.300 nan 0.000 0.492 730 Y N 0.889 121.413 120.300 0.373 0.000 2.070 730 Y HA -0.160 4.391 4.550 0.001 0.000 0.280 730 Y C 2.549 178.560 175.900 0.187 0.000 1.148 730 Y CA 1.521 59.760 58.100 0.232 0.000 1.125 730 Y CB -1.064 37.513 38.460 0.194 0.000 0.975 730 Y HN 0.022 nan 8.280 nan 0.000 0.492 731 G N -0.756 108.174 108.800 0.216 0.000 2.491 731 G HA2 -0.371 3.590 3.960 0.002 0.000 0.218 731 G HA3 -0.371 3.590 3.960 0.002 0.000 0.218 731 G C 1.496 176.448 174.900 0.086 0.000 1.180 731 G CA 1.026 46.221 45.100 0.160 0.000 0.774 731 G HN 0.649 nan 8.290 nan 0.000 0.562 732 W N 1.518 122.747 121.300 -0.118 0.000 2.315 732 W HA -0.096 4.565 4.660 0.000 0.000 0.323 732 W C 2.623 178.932 176.519 -0.350 0.000 1.233 732 W CA 2.004 59.033 57.345 -0.527 0.000 1.267 732 W CB -0.297 28.724 29.460 -0.732 0.000 1.160 732 W HN 0.163 nan 8.180 nan 0.000 0.474 733 K N -0.179 119.979 120.400 -0.404 0.000 2.283 733 K HA -0.126 4.195 4.320 0.002 0.000 0.202 733 K C 1.804 178.158 176.600 -0.409 0.000 1.048 733 K CA 0.940 56.901 56.287 -0.544 0.000 0.948 733 K CB -0.181 32.164 32.500 -0.258 0.000 0.742 733 K HN -0.069 nan 8.250 nan 0.000 0.458 734 K N -0.234 119.966 120.400 -0.333 0.000 2.555 734 K HA -0.014 4.307 4.320 0.002 0.000 0.193 734 K C 1.011 177.529 176.600 -0.137 0.000 1.032 734 K CA 0.843 56.990 56.287 -0.234 0.000 1.004 734 K CB 0.295 32.650 32.500 -0.243 0.000 0.804 734 K HN 0.413 nan 8.250 nan 0.000 0.496 735 G N 1.394 110.019 108.800 -0.291 0.000 2.143 735 G HA2 -0.259 3.702 3.960 0.002 0.000 0.249 735 G HA3 -0.259 3.702 3.960 0.002 0.000 0.249 735 G C 0.162 174.926 174.900 -0.227 0.000 0.981 735 G CA 0.008 44.877 45.100 -0.384 0.000 0.665 735 G HN 0.241 nan 8.290 nan 0.000 0.528 736 L N -0.371 120.869 121.223 0.028 0.000 2.506 736 L HA 0.178 4.519 4.340 0.002 0.000 0.281 736 L C 1.922 178.921 176.870 0.215 0.000 1.228 736 L CA 0.407 55.370 54.840 0.205 0.000 0.850 736 L CB 0.375 42.563 42.059 0.216 0.000 1.110 736 L HN 0.158 nan 8.230 nan 0.000 0.496 737 K N 0.588 121.104 120.400 0.194 0.000 2.067 737 K HA 0.025 4.346 4.320 0.002 0.000 0.203 737 K C 0.408 177.088 176.600 0.133 0.000 1.048 737 K CA 0.838 57.210 56.287 0.142 0.000 0.954 737 K CB 0.076 32.641 32.500 0.109 0.000 0.737 737 K HN 0.537 nan 8.250 nan 0.000 0.444 738 T N 0.695 115.305 114.554 0.092 0.000 2.832 738 T HA 0.181 4.532 4.350 0.002 0.000 0.313 738 T C 0.841 175.588 174.700 0.079 0.000 1.035 738 T CA -0.492 61.630 62.100 0.038 0.000 0.950 738 T CB 1.444 70.306 68.868 -0.010 0.000 0.984 738 T HN 0.345 nan 8.240 nan 0.000 0.486 739 G N 3.003 111.846 108.800 0.071 0.000 2.430 739 G HA2 0.146 4.107 3.960 0.002 0.000 0.216 739 G HA3 0.146 4.107 3.960 0.002 0.000 0.216 739 G C 0.340 175.374 174.900 0.223 0.000 1.146 739 G CA 0.281 45.536 45.100 0.258 0.000 0.793 739 G HN 0.580 nan 8.290 nan 0.000 0.537 740 M N -1.234 118.454 119.600 0.147 0.000 2.307 740 M HA 0.370 4.851 4.480 0.002 0.000 0.279 740 M C -1.117 175.294 176.300 0.184 0.000 1.080 740 M CA -0.883 54.529 55.300 0.187 0.000 0.964 740 M CB 1.422 34.181 32.600 0.264 0.000 1.825 740 M HN 0.074 nan 8.290 nan 0.000 0.489 741 Y N 4.131 124.416 120.300 -0.025 0.000 3.407 741 Y HA 0.362 4.913 4.550 0.001 0.000 0.384 741 Y C -0.720 175.162 175.900 -0.031 0.000 0.918 741 Y CA 0.465 58.424 58.100 -0.236 0.000 1.557 741 Y CB -0.185 38.145 38.460 -0.215 0.000 1.414 741 Y HN 0.592 nan 8.280 nan 0.000 0.595 742 Y N 1.148 121.134 120.300 -0.522 0.000 2.326 742 Y HA 0.221 4.772 4.550 0.002 0.000 0.333 742 Y C 0.173 175.968 175.900 -0.174 0.000 1.240 742 Y CA -0.299 57.654 58.100 -0.245 0.000 1.365 742 Y CB 0.385 38.619 38.460 -0.376 0.000 1.289 742 Y HN 0.181 nan 8.280 nan 0.000 0.548 743 L N 5.408 126.674 121.223 0.073 0.000 2.259 743 L HA 0.376 4.717 4.340 0.002 0.000 0.288 743 L C -0.617 176.219 176.870 -0.056 0.000 1.051 743 L CA -0.437 54.385 54.840 -0.029 0.000 0.824 743 L CB 0.004 42.073 42.059 0.017 0.000 1.206 743 L HN 0.715 nan 8.230 nan 0.000 0.429 744 R N 2.990 123.344 120.500 -0.242 0.000 2.368 744 R HA 0.544 4.885 4.340 0.002 0.000 0.302 744 R C -0.382 176.041 176.300 0.205 0.000 1.002 744 R CA -0.573 55.488 56.100 -0.066 0.000 0.929 744 R CB 1.995 32.203 30.300 -0.152 0.000 1.073 744 R HN 0.431 nan 8.270 nan 0.000 0.464 745 T N 0.765 115.535 114.554 0.361 0.000 2.804 745 T HA 0.451 4.802 4.350 0.002 0.000 0.290 745 T C -1.404 173.412 174.700 0.193 0.000 1.099 745 T CA -0.278 62.020 62.100 0.330 0.000 1.011 745 T CB 1.505 70.462 68.868 0.149 0.000 1.291 745 T HN 0.738 nan 8.240 nan 0.000 0.523 746 Q N 0.000 119.847 119.800 0.078 0.000 2.315 746 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 746 Q CA 0.000 55.777 55.803 -0.043 0.000 1.022 746 Q CB 0.000 28.698 28.738 -0.067 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481