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 2cvy_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 0.000 174.711 174.700 0.019 0.000 1.109 91 T CA 0.000 62.118 62.100 0.030 0.000 1.349 91 T CB 0.000 68.869 68.868 0.001 0.000 0.612 92 K N 1.848 122.266 120.400 0.030 0.000 4.444 92 K HA -0.230 4.092 4.320 0.003 0.000 0.281 92 K C -0.701 175.902 176.600 0.005 0.000 0.817 92 K CA 1.036 57.270 56.287 -0.089 0.000 0.793 92 K CB -0.751 31.613 32.500 -0.227 0.000 1.784 92 K HN 0.437 nan 8.250 nan 0.000 0.424 93 Q N 1.748 121.639 119.800 0.151 0.000 2.887 93 Q HA 0.091 4.433 4.340 0.003 0.000 0.211 93 Q C -0.363 175.738 176.000 0.168 0.000 0.879 93 Q CA -0.499 55.413 55.803 0.182 0.000 1.210 93 Q CB -0.093 28.687 28.738 0.070 0.000 1.663 93 Q HN 0.199 nan 8.270 nan 0.000 0.582 94 F N 2.973 123.027 119.950 0.173 0.000 2.069 94 F HA -0.177 4.352 4.527 0.003 0.000 0.298 94 F C 1.917 177.686 175.800 -0.051 0.000 1.113 94 F CA 2.753 60.781 58.000 0.047 0.000 1.214 94 F CB -0.242 38.874 39.000 0.194 0.000 0.978 94 F HN 0.687 nan 8.300 nan 0.000 0.474 95 S N -0.457 115.163 115.700 -0.133 0.000 2.419 95 S HA -0.260 4.211 4.470 0.003 0.000 0.235 95 S C 2.051 176.534 174.600 -0.196 0.000 1.019 95 S CA 1.413 59.463 58.200 -0.250 0.000 0.982 95 S CB -0.587 62.552 63.200 -0.103 0.000 0.789 95 S HN 0.423 nan 8.310 nan 0.000 0.490 96 K N 1.722 122.048 120.400 -0.122 0.000 2.076 96 K HA 0.080 4.402 4.320 0.003 0.000 0.204 96 K C 2.208 178.743 176.600 -0.109 0.000 1.051 96 K CA 1.439 57.679 56.287 -0.078 0.000 0.949 96 K CB -0.964 31.515 32.500 -0.036 0.000 0.726 96 K HN 0.405 nan 8.250 nan 0.000 0.443 97 V N -1.003 118.790 119.914 -0.202 0.000 2.515 97 V HA -0.100 4.022 4.120 0.003 0.000 0.250 97 V C 1.761 177.747 176.094 -0.181 0.000 1.058 97 V CA 1.765 63.943 62.300 -0.203 0.000 1.064 97 V CB -0.334 31.294 31.823 -0.326 0.000 0.675 97 V HN 0.053 nan 8.190 nan 0.000 0.461 98 V N 0.597 120.329 119.914 -0.303 0.000 2.343 98 V HA -0.201 3.921 4.120 0.003 0.000 0.247 98 V C 2.722 178.847 176.094 0.051 0.000 1.051 98 V CA 2.367 64.542 62.300 -0.208 0.000 1.036 98 V CB -0.850 30.701 31.823 -0.453 0.000 0.654 98 V HN 0.675 nan 8.190 nan 0.000 0.451 99 E N 0.882 121.121 120.200 0.064 0.000 2.023 99 E HA -0.236 4.115 4.350 0.003 0.000 0.196 99 E C 1.859 178.534 176.600 0.125 0.000 1.003 99 E CA 1.949 58.456 56.400 0.178 0.000 0.809 99 E CB -0.428 29.339 29.700 0.111 0.000 0.755 99 E HN 0.600 nan 8.360 nan 0.000 0.449 100 D N -0.129 120.308 120.400 0.061 0.000 2.104 100 D HA -0.168 4.474 4.640 0.003 0.000 0.194 100 D C 2.145 178.499 176.300 0.089 0.000 0.994 100 D CA 1.136 55.174 54.000 0.063 0.000 0.830 100 D CB -0.387 40.434 40.800 0.035 0.000 0.959 100 D HN 0.240 nan 8.370 nan 0.000 0.452 101 L N -0.473 120.790 121.223 0.065 0.000 2.046 101 L HA -0.204 4.138 4.340 0.003 0.000 0.208 101 L C 2.469 179.407 176.870 0.112 0.000 1.077 101 L CA 0.976 55.854 54.840 0.063 0.000 0.747 101 L CB -0.485 41.593 42.059 0.031 0.000 0.896 101 L HN 0.053 nan 8.230 nan 0.000 0.432 102 Y N 0.775 121.049 120.300 -0.043 0.000 2.293 102 Y HA -0.135 4.416 4.550 0.003 0.000 0.291 102 Y C 2.369 178.187 175.900 -0.136 0.000 1.137 102 Y CA 1.332 59.346 58.100 -0.142 0.000 1.202 102 Y CB 0.074 38.316 38.460 -0.363 0.000 0.990 102 Y HN -0.004 nan 8.280 nan 0.000 0.537 103 R N -0.833 119.641 120.500 -0.043 0.000 2.334 103 R HA -0.015 4.327 4.340 0.003 0.000 0.216 103 R C -0.348 175.911 176.300 -0.068 0.000 0.905 103 R CA -0.284 55.749 56.100 -0.112 0.000 1.064 103 R CB -1.189 29.094 30.300 -0.029 0.000 1.046 103 R HN 0.304 nan 8.270 nan 0.000 0.508 104 Y N 1.234 121.467 120.300 -0.111 0.000 2.811 104 Y HA -0.043 4.508 4.550 0.003 0.000 0.334 104 Y C -0.159 175.681 175.900 -0.101 0.000 1.247 104 Y CA 0.234 58.283 58.100 -0.084 0.000 1.526 104 Y CB 0.556 38.977 38.460 -0.066 0.000 1.284 104 Y HN -0.289 nan 8.280 nan 0.000 0.586 105 V N 7.144 126.504 119.914 -0.923 0.000 2.588 105 V HA 0.150 4.272 4.120 0.003 0.000 0.304 105 V C -0.253 175.221 176.094 -1.033 0.000 1.042 105 V CA -1.522 60.351 62.300 -0.712 0.000 0.877 105 V CB 1.742 33.336 31.823 -0.381 0.000 0.996 105 V HN 0.823 nan 8.190 nan 0.000 0.425 106 N N 3.096 121.445 118.700 -0.584 0.000 2.400 106 N HA 0.101 4.842 4.740 0.003 0.000 0.267 106 N C 1.102 176.485 175.510 -0.212 0.000 1.208 106 N CA 0.509 53.377 53.050 -0.303 0.000 0.951 106 N CB 1.730 40.171 38.487 -0.078 0.000 1.227 106 N HN 0.867 nan 8.380 nan 0.000 0.488 107 A N 4.162 126.869 122.820 -0.188 0.000 1.933 107 A HA -0.132 4.190 4.320 0.003 0.000 0.218 107 A C 2.108 179.649 177.584 -0.071 0.000 1.175 107 A CA 1.753 53.719 52.037 -0.118 0.000 0.628 107 A CB -0.474 18.478 19.000 -0.081 0.000 0.814 107 A HN 0.741 nan 8.150 nan 0.000 0.444 108 A N -1.907 120.884 122.820 -0.047 0.000 2.070 108 A HA -0.019 4.303 4.320 0.003 0.000 0.220 108 A C 2.165 179.728 177.584 -0.036 0.000 1.159 108 A CA 2.287 54.306 52.037 -0.030 0.000 0.656 108 A CB -0.538 18.453 19.000 -0.014 0.000 0.800 108 A HN 0.524 nan 8.150 nan 0.000 0.453 109 T N -3.788 110.736 114.554 -0.049 0.000 2.958 109 T HA 0.386 4.738 4.350 0.003 0.000 0.256 109 T C 1.207 175.872 174.700 -0.059 0.000 0.983 109 T CA 1.243 63.315 62.100 -0.047 0.000 0.924 109 T CB -0.089 68.754 68.868 -0.042 0.000 1.136 109 T HN 1.541 nan 8.240 nan 0.000 0.506 110 G N 2.257 111.009 108.800 -0.080 0.000 2.168 110 G HA2 -0.230 3.732 3.960 0.003 0.000 0.263 110 G HA3 -0.230 3.732 3.960 0.003 0.000 0.263 110 G C -0.102 174.739 174.900 -0.098 0.000 0.977 110 G CA 0.423 45.470 45.100 -0.089 0.000 0.659 110 G HN 0.603 nan 8.290 nan 0.000 0.533 111 K N 1.260 121.600 120.400 -0.100 0.000 2.258 111 K HA 0.421 4.743 4.320 0.003 0.000 0.284 111 K C -2.561 173.957 176.600 -0.137 0.000 1.051 111 K CA -1.828 54.400 56.287 -0.098 0.000 0.923 111 K CB 1.295 33.752 32.500 -0.072 0.000 1.046 111 K HN 0.028 nan 8.250 nan 0.000 0.474 112 P HA -0.016 nan 4.420 nan 0.000 0.267 112 P C -0.984 176.236 177.300 -0.134 0.000 1.209 112 P CA -0.054 62.945 63.100 -0.168 0.000 0.763 112 P CB 0.739 32.341 31.700 -0.163 0.000 0.816 113 A N 5.317 128.072 122.820 -0.109 0.000 3.204 113 A HA 0.477 4.799 4.320 0.003 0.000 0.327 113 A C -2.429 175.195 177.584 0.068 0.000 0.998 113 A CA -1.538 50.509 52.037 0.017 0.000 0.891 113 A CB -0.172 18.914 19.000 0.143 0.000 1.061 113 A HN 0.292 nan 8.150 nan 0.000 0.478 114 P HA 0.113 nan 4.420 nan 0.000 0.264 114 P C 0.544 177.832 177.300 -0.021 0.000 1.193 114 P CA 0.205 63.233 63.100 -0.120 0.000 0.763 114 P CB 0.553 32.071 31.700 -0.303 0.000 0.810 115 M N 2.786 122.398 119.600 0.020 0.000 2.502 115 M HA 0.170 4.651 4.480 0.003 0.000 0.243 115 M C 0.016 176.354 176.300 0.063 0.000 1.130 115 M CA 0.691 56.001 55.300 0.017 0.000 1.055 115 M CB 0.280 32.874 32.600 -0.009 0.000 1.457 115 M HN 0.221 nan 8.290 nan 0.000 0.488 116 I N -0.645 120.007 120.570 0.136 0.000 2.689 116 I HA 0.330 4.502 4.170 0.003 0.000 0.299 116 I C 0.091 176.357 176.117 0.247 0.000 1.059 116 I CA -0.781 60.637 61.300 0.196 0.000 1.055 116 I CB 1.927 40.070 38.000 0.239 0.000 1.243 116 I HN 0.049 nan 8.210 nan 0.000 0.425 117 S N 2.746 118.555 115.700 0.181 0.000 2.593 117 S HA 0.159 4.631 4.470 0.003 0.000 0.269 117 S C 0.644 175.397 174.600 0.255 0.000 1.334 117 S CA -0.555 57.748 58.200 0.172 0.000 1.015 117 S CB 1.293 64.557 63.200 0.107 0.000 0.912 117 S HN 0.532 nan 8.310 nan 0.000 0.541 118 D N 1.385 121.939 120.400 0.256 0.000 2.087 118 D HA -0.169 4.473 4.640 0.003 0.000 0.192 118 D C 1.515 177.908 176.300 0.155 0.000 0.993 118 D CA 1.930 56.087 54.000 0.262 0.000 0.828 118 D CB -0.758 40.160 40.800 0.197 0.000 0.968 118 D HN 0.857 nan 8.370 nan 0.000 0.448 119 D N 0.517 120.987 120.400 0.117 0.000 2.230 119 D HA -0.193 4.449 4.640 0.003 0.000 0.189 119 D C 1.975 178.313 176.300 0.064 0.000 1.006 119 D CA 1.799 55.848 54.000 0.082 0.000 0.853 119 D CB -0.285 40.562 40.800 0.078 0.000 0.959 119 D HN 0.021 nan 8.370 nan 0.000 0.449 120 V N -0.609 119.351 119.914 0.077 0.000 2.515 120 V HA -0.177 3.945 4.120 0.003 0.000 0.250 120 V C 2.038 178.142 176.094 0.017 0.000 1.058 120 V CA 1.715 64.053 62.300 0.063 0.000 1.064 120 V CB -0.788 31.090 31.823 0.091 0.000 0.675 120 V HN 0.357 nan 8.190 nan 0.000 0.461 121 Y N 1.871 122.074 120.300 -0.162 0.000 2.163 121 Y HA -0.202 4.350 4.550 0.003 0.000 0.288 121 Y C 2.465 178.203 175.900 -0.271 0.000 1.136 121 Y CA 1.918 59.801 58.100 -0.361 0.000 1.147 121 Y CB -0.267 37.644 38.460 -0.915 0.000 0.987 121 Y HN 0.304 nan 8.280 nan 0.000 0.509 122 N N 0.622 119.237 118.700 -0.140 0.000 2.205 122 N HA -0.194 4.548 4.740 0.003 0.000 0.186 122 N C 1.856 177.270 175.510 -0.160 0.000 1.015 122 N CA 1.910 54.869 53.050 -0.151 0.000 0.862 122 N CB -0.395 38.084 38.487 -0.014 0.000 0.986 122 N HN 0.474 nan 8.380 nan 0.000 0.429 123 I N 0.068 120.576 120.570 -0.104 0.000 2.286 123 I HA -0.162 4.010 4.170 0.003 0.000 0.245 123 I C 2.002 178.067 176.117 -0.086 0.000 1.104 123 I CA 0.529 61.793 61.300 -0.059 0.000 1.397 123 I CB -0.094 37.908 38.000 0.003 0.000 1.072 123 I HN -0.113 nan 8.210 nan 0.000 0.417 124 V N 0.447 120.279 119.914 -0.137 0.000 2.407 124 V HA -0.276 3.846 4.120 0.003 0.000 0.248 124 V C 2.480 178.455 176.094 -0.199 0.000 1.055 124 V CA 1.495 63.719 62.300 -0.126 0.000 1.049 124 V CB -0.481 31.213 31.823 -0.214 0.000 0.662 124 V HN 0.363 nan 8.190 nan 0.000 0.455 125 M N -0.441 118.951 119.600 -0.347 0.000 2.156 125 M HA -0.074 4.408 4.480 0.003 0.000 0.264 125 M C 2.060 178.256 176.300 -0.174 0.000 1.067 125 M CA 1.400 56.506 55.300 -0.324 0.000 1.131 125 M CB -1.184 31.126 32.600 -0.484 0.000 1.368 125 M HN 0.392 nan 8.290 nan 0.000 0.416 126 E N 0.214 120.329 120.200 -0.143 0.000 2.478 126 E HA -0.111 4.241 4.350 0.003 0.000 0.198 126 E C 0.120 176.688 176.600 -0.054 0.000 1.046 126 E CA 0.546 56.898 56.400 -0.081 0.000 0.870 126 E CB -0.168 29.495 29.700 -0.062 0.000 0.818 126 E HN 0.569 nan 8.360 nan 0.000 0.527 127 N N -0.418 118.250 118.700 -0.054 0.000 2.390 127 N HA 0.005 4.747 4.740 0.003 0.000 0.259 127 N C 0.569 176.070 175.510 -0.015 0.000 1.395 127 N CA -0.114 52.920 53.050 -0.027 0.000 0.852 127 N CB 0.632 39.111 38.487 -0.014 0.000 1.371 127 N HN 0.040 nan 8.380 nan 0.000 0.491 128 K N -0.059 120.324 120.400 -0.029 0.000 2.147 128 K HA -0.091 4.231 4.320 0.003 0.000 0.205 128 K C 0.417 177.029 176.600 0.019 0.000 1.049 128 K CA 1.301 57.583 56.287 -0.008 0.000 0.936 128 K CB 0.125 32.598 32.500 -0.045 0.000 0.722 128 K HN 0.035 nan 8.250 nan 0.000 0.446 129 D N 1.341 121.744 120.400 0.005 0.000 2.091 129 D HA -0.113 4.528 4.640 0.003 0.000 0.199 129 D C 1.892 178.195 176.300 0.004 0.000 0.980 129 D CA 1.162 55.168 54.000 0.009 0.000 0.831 129 D CB -0.075 40.726 40.800 0.002 0.000 0.987 129 D HN 0.127 nan 8.370 nan 0.000 0.460 130 K N 0.674 121.070 120.400 -0.007 0.000 2.044 130 K HA -0.140 4.182 4.320 0.003 0.000 0.210 130 K C 1.984 178.560 176.600 -0.041 0.000 1.049 130 K CA 0.773 57.048 56.287 -0.021 0.000 0.927 130 K CB -0.473 32.014 32.500 -0.022 0.000 0.713 130 K HN -0.038 nan 8.250 nan 0.000 0.443 131 L N 1.342 122.552 121.223 -0.022 0.000 2.005 131 L HA -0.120 4.222 4.340 0.003 0.000 0.207 131 L C 1.941 178.779 176.870 -0.053 0.000 1.072 131 L CA 1.699 56.513 54.840 -0.043 0.000 0.744 131 L CB -1.316 40.788 42.059 0.076 0.000 0.895 131 L HN 0.288 nan 8.230 nan 0.000 0.433 132 N N -0.503 118.231 118.700 0.057 0.000 2.166 132 N HA -0.138 4.604 4.740 0.003 0.000 0.186 132 N C 1.864 177.406 175.510 0.054 0.000 1.019 132 N CA 1.576 54.691 53.050 0.108 0.000 0.856 132 N CB -0.153 38.416 38.487 0.137 0.000 0.993 132 N HN 0.462 nan 8.380 nan 0.000 0.426 133 S N -0.621 115.085 115.700 0.011 0.000 2.558 133 S HA 0.295 4.767 4.470 0.003 0.000 0.217 133 S C 1.791 176.361 174.600 -0.050 0.000 0.975 133 S CA 0.292 58.497 58.200 0.008 0.000 0.912 133 S CB 0.296 63.505 63.200 0.015 0.000 0.776 133 S HN 0.272 nan 8.310 nan 0.000 0.526 134 A N 1.724 124.465 122.820 -0.132 0.000 1.970 134 A HA 0.357 4.679 4.320 0.003 0.000 0.216 134 A C 0.977 178.367 177.584 -0.324 0.000 1.170 134 A CA 0.178 52.092 52.037 -0.206 0.000 0.645 134 A CB -0.565 18.270 19.000 -0.276 0.000 0.816 134 A HN 0.606 nan 8.150 nan 0.000 0.447 135 I N 1.418 121.725 120.570 -0.438 0.000 2.598 135 I HA 0.027 4.199 4.170 0.003 0.000 0.284 135 I C -0.621 175.311 176.117 -0.309 0.000 1.140 135 I CA -0.026 60.927 61.300 -0.577 0.000 1.420 135 I CB 1.162 38.698 38.000 -0.774 0.000 1.387 135 I HN -0.092 nan 8.210 nan 0.000 0.553 136 V N 8.142 127.975 119.914 -0.135 0.000 2.270 136 V HA 0.056 4.178 4.120 0.003 0.000 0.263 136 V C 0.396 176.416 176.094 -0.123 0.000 1.066 136 V CA -0.310 61.960 62.300 -0.050 0.000 0.857 136 V CB -0.213 31.625 31.823 0.026 0.000 1.099 136 V HN 0.614 nan 8.190 nan 0.000 0.476 137 Y N 1.020 121.336 120.300 0.027 0.000 2.483 137 Y HA -0.213 4.339 4.550 0.003 0.000 0.291 137 Y C 2.202 178.112 175.900 0.017 0.000 1.143 137 Y CA 1.550 59.642 58.100 -0.014 0.000 1.289 137 Y CB -0.161 38.300 38.460 0.000 0.000 0.983 137 Y HN 0.624 nan 8.280 nan 0.000 0.556 138 D N 0.517 121.056 120.400 0.231 0.000 2.265 138 D HA -0.162 4.479 4.640 0.003 0.000 0.208 138 D C 1.668 178.083 176.300 0.193 0.000 0.977 138 D CA 1.061 55.249 54.000 0.314 0.000 0.871 138 D CB -0.012 40.899 40.800 0.184 0.000 0.925 138 D HN 0.216 nan 8.370 nan 0.000 0.485 139 R N -0.234 120.261 120.500 -0.009 0.000 2.323 139 R HA 0.023 4.365 4.340 0.003 0.000 0.198 139 R C 0.983 177.143 176.300 -0.234 0.000 0.988 139 R CA 0.428 56.445 56.100 -0.138 0.000 1.041 139 R CB 0.197 30.379 30.300 -0.196 0.000 0.926 139 R HN 0.180 nan 8.270 nan 0.000 0.476 140 D N 0.011 120.236 120.400 -0.291 0.000 2.224 140 D HA -0.111 4.531 4.640 0.003 0.000 0.205 140 D C 0.878 176.944 176.300 -0.391 0.000 0.965 140 D CA 1.120 54.913 54.000 -0.345 0.000 0.852 140 D CB 0.049 40.524 40.800 -0.542 0.000 0.947 140 D HN 0.211 nan 8.370 nan 0.000 0.494 141 F N 0.480 120.400 119.950 -0.051 0.000 2.811 141 F HA 0.134 4.663 4.527 0.003 0.000 0.301 141 F C 1.947 177.676 175.800 -0.119 0.000 1.151 141 F CA 0.063 58.017 58.000 -0.076 0.000 1.412 141 F CB -0.329 38.628 39.000 -0.071 0.000 1.113 141 F HN -0.147 nan 8.300 nan 0.000 0.579 142 Q N 0.231 119.957 119.800 -0.124 0.000 2.265 142 Q HA 0.079 4.421 4.340 0.003 0.000 0.217 142 Q C -0.821 174.892 176.000 -0.479 0.000 0.916 142 Q CA 0.113 55.746 55.803 -0.284 0.000 0.948 142 Q CB -0.086 28.434 28.738 -0.364 0.000 1.020 142 Q HN 0.436 nan 8.270 nan 0.000 0.462 143 Y N -1.662 118.567 120.300 -0.118 0.000 2.805 143 Y HA 0.297 4.849 4.550 0.003 0.000 0.321 143 Y C 0.727 176.531 175.900 -0.159 0.000 1.203 143 Y CA -0.916 57.086 58.100 -0.164 0.000 1.165 143 Y CB 1.218 39.602 38.460 -0.126 0.000 1.371 143 Y HN 0.016 nan 8.280 nan 0.000 0.564 144 S N -1.350 114.331 115.700 -0.031 0.000 2.767 144 S HA 0.205 4.677 4.470 0.003 0.000 0.300 144 S C 0.236 174.820 174.600 -0.027 0.000 1.123 144 S CA -0.483 57.634 58.200 -0.138 0.000 0.992 144 S CB 0.780 63.693 63.200 -0.479 0.000 1.138 144 S HN 0.691 nan 8.310 nan 0.000 0.550 145 Y N 1.438 121.708 120.300 -0.050 0.000 2.109 145 Y HA -0.040 4.512 4.550 0.003 0.000 0.285 145 Y C 1.936 177.909 175.900 0.122 0.000 1.131 145 Y CA 1.949 60.116 58.100 0.112 0.000 1.121 145 Y CB -0.872 37.698 38.460 0.183 0.000 0.987 145 Y HN 0.750 nan 8.280 nan 0.000 0.495 146 F N -0.649 119.298 119.950 -0.005 0.000 2.365 146 F HA 0.159 4.688 4.527 0.003 0.000 0.300 146 F C 2.085 177.812 175.800 -0.121 0.000 1.090 146 F CA 0.978 58.916 58.000 -0.103 0.000 1.408 146 F CB -1.248 37.749 39.000 -0.003 0.000 1.060 146 F HN -0.012 nan 8.300 nan 0.000 0.534 147 G N 0.274 108.640 108.800 -0.724 0.000 2.396 147 G HA2 -0.210 3.752 3.960 0.003 0.000 0.214 147 G HA3 -0.210 3.752 3.960 0.003 0.000 0.214 147 G C 1.494 176.160 174.900 -0.390 0.000 1.166 147 G CA 0.687 45.467 45.100 -0.535 0.000 0.793 147 G HN 0.448 nan 8.290 nan 0.000 0.533 148 F N 1.730 121.426 119.950 -0.424 0.000 2.146 148 F HA 0.099 4.628 4.527 0.003 0.000 0.298 148 F C 2.462 178.077 175.800 -0.308 0.000 1.096 148 F CA 1.388 59.150 58.000 -0.397 0.000 1.275 148 F CB 0.056 38.919 39.000 -0.229 0.000 1.008 148 F HN -0.099 nan 8.300 nan 0.000 0.480 149 K N 0.141 120.251 120.400 -0.484 0.000 2.209 149 K HA -0.108 4.214 4.320 0.003 0.000 0.204 149 K C 1.936 178.335 176.600 -0.334 0.000 1.048 149 K CA 1.625 57.618 56.287 -0.490 0.000 0.940 149 K CB -0.853 31.395 32.500 -0.419 0.000 0.729 149 K HN 0.353 nan 8.250 nan 0.000 0.451 150 T N 1.876 116.272 114.554 -0.263 0.000 2.812 150 T HA -0.034 4.318 4.350 0.003 0.000 0.264 150 T C 2.062 176.700 174.700 -0.104 0.000 1.042 150 T CA 0.733 62.754 62.100 -0.132 0.000 1.140 150 T CB -0.083 68.710 68.868 -0.125 0.000 0.870 150 T HN 0.098 nan 8.240 nan 0.000 0.445 151 L N 0.612 121.650 121.223 -0.309 0.000 2.027 151 L HA -0.068 4.274 4.340 0.003 0.000 0.206 151 L C 2.890 179.643 176.870 -0.194 0.000 1.074 151 L CA 1.403 56.094 54.840 -0.247 0.000 0.745 151 L CB -0.411 41.395 42.059 -0.423 0.000 0.898 151 L HN 0.302 nan 8.230 nan 0.000 0.433 152 E N 0.280 120.203 120.200 -0.463 0.000 2.028 152 E HA -0.286 4.066 4.350 0.003 0.000 0.191 152 E C 2.285 178.774 176.600 -0.185 0.000 0.988 152 E CA 1.268 57.418 56.400 -0.417 0.000 0.799 152 E CB 0.093 29.361 29.700 -0.720 0.000 0.755 152 E HN 0.208 nan 8.360 nan 0.000 0.447 153 R N 0.543 120.951 120.500 -0.154 0.000 2.091 153 R HA -0.100 4.242 4.340 0.003 0.000 0.238 153 R C 1.785 178.074 176.300 -0.018 0.000 1.136 153 R CA 2.591 58.652 56.100 -0.065 0.000 0.959 153 R CB -0.261 30.011 30.300 -0.046 0.000 0.856 153 R HN 0.159 nan 8.270 nan 0.000 0.437 154 S N -2.818 112.914 115.700 0.053 0.000 2.651 154 S HA 0.210 4.682 4.470 0.003 0.000 0.259 154 S C 1.084 175.699 174.600 0.024 0.000 1.073 154 S CA -0.468 57.748 58.200 0.027 0.000 1.090 154 S CB -0.134 63.073 63.200 0.013 0.000 1.042 154 S HN 0.259 nan 8.310 nan 0.000 0.581 155 Y N 2.002 122.351 120.300 0.082 0.000 2.464 155 Y HA 0.500 5.051 4.550 0.003 0.000 0.288 155 Y C 0.762 176.712 175.900 0.083 0.000 1.133 155 Y CA -0.597 57.578 58.100 0.125 0.000 1.223 155 Y CB -0.141 38.301 38.460 -0.031 0.000 1.187 155 Y HN 0.089 nan 8.280 nan 0.000 0.539 156 L N 2.016 123.329 121.223 0.151 0.000 2.455 156 L HA 0.056 4.397 4.340 0.003 0.000 0.272 156 L C -0.147 176.762 176.870 0.065 0.000 1.174 156 L CA -0.065 54.834 54.840 0.099 0.000 0.869 156 L CB 0.201 42.292 42.059 0.053 0.000 1.130 156 L HN 0.059 nan 8.230 nan 0.000 0.474 157 L N 4.250 125.514 121.223 0.069 0.000 2.506 157 L HA 0.128 4.470 4.340 0.003 0.000 0.281 157 L C 0.455 177.311 176.870 -0.023 0.000 1.228 157 L CA 0.414 55.261 54.840 0.012 0.000 0.850 157 L CB 0.059 42.128 42.059 0.016 0.000 1.110 157 L HN 0.622 nan 8.230 nan 0.000 0.496 158 R N 2.145 122.595 120.500 -0.084 0.000 2.740 158 R HA 0.452 4.794 4.340 0.003 0.000 0.282 158 R C 0.325 176.506 176.300 -0.198 0.000 0.969 158 R CA -0.723 55.316 56.100 -0.102 0.000 0.918 158 R CB 2.469 32.713 30.300 -0.093 0.000 1.175 158 R HN 0.585 nan 8.270 nan 0.000 0.464 159 I N 0.873 121.349 120.570 -0.156 0.000 4.827 159 I HA 0.037 4.209 4.170 0.003 0.000 0.222 159 I C 0.041 176.073 176.117 -0.141 0.000 0.965 159 I CA -0.141 61.030 61.300 -0.214 0.000 1.531 159 I CB 0.377 38.352 38.000 -0.041 0.000 1.390 159 I HN 0.514 nan 8.210 nan 0.000 0.440 160 N N 1.754 120.458 118.700 0.006 0.000 3.298 160 N HA 0.159 4.901 4.740 0.003 0.000 0.292 160 N C 0.399 175.912 175.510 0.006 0.000 1.271 160 N CA 0.788 53.864 53.050 0.044 0.000 1.184 160 N CB 0.221 38.755 38.487 0.079 0.000 1.452 160 N HN 0.740 nan 8.380 nan 0.000 0.534 161 G N 0.750 109.532 108.800 -0.029 0.000 2.200 161 G HA2 -0.315 3.647 3.960 0.003 0.000 0.267 161 G HA3 -0.315 3.647 3.960 0.003 0.000 0.267 161 G C 0.136 175.024 174.900 -0.020 0.000 0.993 161 G CA 0.358 45.440 45.100 -0.030 0.000 0.701 161 G HN 0.559 nan 8.290 nan 0.000 0.524 162 Q N 0.175 119.965 119.800 -0.016 0.000 2.322 162 Q HA 0.529 4.871 4.340 0.003 0.000 0.265 162 Q C 0.458 176.456 176.000 -0.003 0.000 0.985 162 Q CA -0.809 54.994 55.803 0.001 0.000 0.849 162 Q CB 1.783 30.531 28.738 0.017 0.000 1.274 162 Q HN 0.185 nan 8.270 nan 0.000 0.449 163 V N 3.227 123.149 119.914 0.012 0.000 2.644 163 V HA -0.056 4.065 4.120 0.003 0.000 0.305 163 V C 0.884 177.003 176.094 0.042 0.000 1.053 163 V CA 1.367 63.682 62.300 0.025 0.000 1.186 163 V CB 0.586 32.436 31.823 0.046 0.000 0.895 163 V HN 0.950 nan 8.190 nan 0.000 0.490 164 A N 3.823 126.668 122.820 0.041 0.000 2.358 164 A HA 0.318 4.640 4.320 0.003 0.000 0.223 164 A C 0.676 178.313 177.584 0.089 0.000 1.218 164 A CA -0.103 51.959 52.037 0.043 0.000 0.942 164 A CB 0.267 19.265 19.000 -0.003 0.000 1.005 164 A HN 0.770 nan 8.150 nan 0.000 0.514 165 E N 0.557 120.843 120.200 0.143 0.000 2.199 165 E HA 0.422 4.774 4.350 0.003 0.000 0.269 165 E C -0.716 176.081 176.600 0.327 0.000 0.899 165 E CA -0.723 55.843 56.400 0.277 0.000 0.772 165 E CB 1.694 31.533 29.700 0.232 0.000 1.155 165 E HN 0.319 nan 8.360 nan 0.000 0.408 166 R N 2.683 123.496 120.500 0.521 0.000 2.560 166 R HA 0.134 4.476 4.340 0.003 0.000 0.270 166 R C -1.697 174.690 176.300 0.145 0.000 1.074 166 R CA -1.612 54.630 56.100 0.237 0.000 1.140 166 R CB 0.142 30.482 30.300 0.065 0.000 1.073 166 R HN 0.279 nan 8.270 nan 0.000 0.527 167 P HA -0.225 nan 4.420 nan 0.000 0.217 167 P C 0.856 178.186 177.300 0.050 0.000 1.151 167 P CA 1.313 64.459 63.100 0.076 0.000 0.849 167 P CB 0.250 32.019 31.700 0.116 0.000 0.787 168 Q N -1.534 118.238 119.800 -0.047 0.000 2.167 168 Q HA -0.169 4.173 4.340 0.003 0.000 0.202 168 Q C 2.120 178.084 176.000 -0.060 0.000 0.970 168 Q CA 1.610 57.356 55.803 -0.094 0.000 0.855 168 Q CB -1.137 27.385 28.738 -0.360 0.000 0.911 168 Q HN 0.583 nan 8.270 nan 0.000 0.438 169 H N 0.204 119.350 119.070 0.127 0.000 2.326 169 H HA -0.075 4.483 4.556 0.003 0.000 0.301 169 H C 2.032 177.496 175.328 0.228 0.000 1.081 169 H CA 0.810 57.009 56.048 0.251 0.000 1.334 169 H CB 0.006 30.008 29.762 0.399 0.000 1.385 169 H HN 0.064 nan 8.280 nan 0.000 0.504 170 L N 1.548 122.946 121.223 0.292 0.000 2.013 170 L HA -0.195 4.146 4.340 0.003 0.000 0.212 170 L C 2.010 178.967 176.870 0.145 0.000 1.073 170 L CA 1.775 56.737 54.840 0.203 0.000 0.753 170 L CB -1.004 41.141 42.059 0.143 0.000 0.890 170 L HN 0.380 nan 8.230 nan 0.000 0.432 171 I N -0.568 120.064 120.570 0.103 0.000 2.226 171 I HA -0.329 3.843 4.170 0.003 0.000 0.245 171 I C 2.563 178.744 176.117 0.107 0.000 1.100 171 I CA 1.513 62.858 61.300 0.075 0.000 1.374 171 I CB -0.285 37.724 38.000 0.016 0.000 1.057 171 I HN 0.346 nan 8.210 nan 0.000 0.413 172 M N 0.780 120.407 119.600 0.046 0.000 2.200 172 M HA -0.141 4.341 4.480 0.003 0.000 0.265 172 M C 2.303 178.584 176.300 -0.031 0.000 1.066 172 M CA 1.644 56.843 55.300 -0.169 0.000 1.127 172 M CB -0.527 31.546 32.600 -0.879 0.000 1.379 172 M HN -0.033 nan 8.290 nan 0.000 0.420 173 R N -0.657 119.946 120.500 0.171 0.000 2.083 173 R HA -0.140 4.202 4.340 0.003 0.000 0.237 173 R C 1.801 178.194 176.300 0.154 0.000 1.137 173 R CA 2.072 58.342 56.100 0.283 0.000 0.951 173 R CB -0.521 29.964 30.300 0.308 0.000 0.851 173 R HN 0.356 nan 8.270 nan 0.000 0.434 174 V N 0.991 120.970 119.914 0.108 0.000 2.295 174 V HA -0.228 3.894 4.120 0.003 0.000 0.246 174 V C 2.513 178.623 176.094 0.026 0.000 1.049 174 V CA 1.890 64.216 62.300 0.045 0.000 1.024 174 V CB -0.784 31.055 31.823 0.027 0.000 0.648 174 V HN 0.563 nan 8.190 nan 0.000 0.447 175 A N -0.203 122.664 122.820 0.078 0.000 1.908 175 A HA -0.187 4.134 4.320 0.003 0.000 0.218 175 A C 2.112 179.790 177.584 0.156 0.000 1.181 175 A CA 1.848 53.972 52.037 0.144 0.000 0.627 175 A CB -0.517 18.588 19.000 0.175 0.000 0.818 175 A HN 0.402 nan 8.150 nan 0.000 0.445 176 L N -0.517 120.780 121.223 0.123 0.000 2.131 176 L HA 0.000 4.342 4.340 0.003 0.000 0.206 176 L C 2.745 179.669 176.870 0.089 0.000 1.087 176 L CA 1.726 56.642 54.840 0.127 0.000 0.767 176 L CB -1.965 40.184 42.059 0.151 0.000 0.917 176 L HN 0.417 nan 8.230 nan 0.000 0.441 177 G N -0.154 108.685 108.800 0.066 0.000 2.440 177 G HA2 -0.252 3.710 3.960 0.003 0.000 0.218 177 G HA3 -0.252 3.710 3.960 0.003 0.000 0.218 177 G C 1.750 176.631 174.900 -0.030 0.000 1.154 177 G CA 0.959 46.077 45.100 0.029 0.000 0.767 177 G HN 0.364 nan 8.290 nan 0.000 0.552 178 I N -0.435 120.070 120.570 -0.107 0.000 2.163 178 I HA -0.106 4.066 4.170 0.003 0.000 0.240 178 I C 2.401 178.354 176.117 -0.273 0.000 1.081 178 I CA 1.056 62.195 61.300 -0.267 0.000 1.353 178 I CB -0.183 37.532 38.000 -0.475 0.000 1.054 178 I HN 0.157 nan 8.210 nan 0.000 0.407 179 H N 0.213 119.300 119.070 0.029 0.000 2.595 179 H HA 0.197 4.755 4.556 0.003 0.000 0.265 179 H C 1.632 176.980 175.328 0.034 0.000 0.953 179 H CA 0.745 56.813 56.048 0.034 0.000 1.197 179 H CB 0.113 29.899 29.762 0.039 0.000 1.438 179 H HN 0.411 nan 8.280 nan 0.000 0.531 180 G N 2.234 111.108 108.800 0.123 0.000 2.660 180 G HA2 -0.413 3.548 3.960 0.003 0.000 0.321 180 G HA3 -0.413 3.548 3.960 0.003 0.000 0.321 180 G C 1.354 176.307 174.900 0.088 0.000 1.246 180 G CA 0.638 45.793 45.100 0.091 0.000 1.000 180 G HN 0.324 nan 8.290 nan 0.000 0.550 181 R N 1.583 122.124 120.500 0.068 0.000 2.285 181 R HA 0.011 4.353 4.340 0.003 0.000 0.213 181 R C 0.940 177.265 176.300 0.042 0.000 1.068 181 R CA 0.822 56.950 56.100 0.047 0.000 1.004 181 R CB -0.573 29.749 30.300 0.037 0.000 0.873 181 R HN 0.523 nan 8.270 nan 0.000 0.467 182 D N 1.013 121.450 120.400 0.062 0.000 2.551 182 D HA 0.020 4.661 4.640 0.003 0.000 0.223 182 D C 1.044 177.345 176.300 0.001 0.000 1.144 182 D CA -0.143 53.875 54.000 0.030 0.000 1.025 182 D CB 0.055 40.882 40.800 0.044 0.000 1.085 182 D HN -0.086 nan 8.370 nan 0.000 0.506 183 I N 2.148 122.717 120.570 -0.002 0.000 2.226 183 I HA -0.228 3.943 4.170 0.003 0.000 0.245 183 I C 2.245 178.341 176.117 -0.036 0.000 1.100 183 I CA 1.070 62.365 61.300 -0.008 0.000 1.374 183 I CB 0.075 38.071 38.000 -0.007 0.000 1.057 183 I HN 0.259 nan 8.210 nan 0.000 0.413 184 E N 0.396 120.567 120.200 -0.048 0.000 2.106 184 E HA -0.147 4.205 4.350 0.003 0.000 0.192 184 E C 2.358 178.891 176.600 -0.111 0.000 0.984 184 E CA 1.317 57.680 56.400 -0.061 0.000 0.806 184 E CB -0.592 29.080 29.700 -0.047 0.000 0.750 184 E HN 0.511 nan 8.360 nan 0.000 0.458 185 A N 1.750 124.454 122.820 -0.194 0.000 1.873 185 A HA -0.052 4.270 4.320 0.003 0.000 0.215 185 A C 2.471 179.755 177.584 -0.500 0.000 1.186 185 A CA 2.052 53.826 52.037 -0.439 0.000 0.616 185 A CB -0.693 17.912 19.000 -0.658 0.000 0.823 185 A HN 0.267 nan 8.150 nan 0.000 0.442 186 A N -0.479 122.186 122.820 -0.260 0.000 1.873 186 A HA -0.121 4.201 4.320 0.003 0.000 0.218 186 A C 2.053 179.671 177.584 0.057 0.000 1.193 186 A CA 1.900 53.959 52.037 0.037 0.000 0.629 186 A CB -0.713 18.344 19.000 0.094 0.000 0.826 186 A HN 0.424 nan 8.150 nan 0.000 0.447 187 L N -0.248 120.980 121.223 0.009 0.000 2.131 187 L HA -0.170 4.171 4.340 0.003 0.000 0.210 187 L C 2.464 179.386 176.870 0.087 0.000 1.092 187 L CA 2.234 57.100 54.840 0.044 0.000 0.759 187 L CB -0.577 41.478 42.059 -0.007 0.000 0.903 187 L HN 0.649 nan 8.230 nan 0.000 0.435 188 E N -1.181 119.033 120.200 0.024 0.000 2.047 188 E HA -0.201 4.151 4.350 0.003 0.000 0.191 188 E C 1.925 178.572 176.600 0.077 0.000 0.987 188 E CA 1.627 58.044 56.400 0.028 0.000 0.799 188 E CB 0.055 29.749 29.700 -0.010 0.000 0.752 188 E HN 0.415 nan 8.360 nan 0.000 0.449 189 T N 0.252 114.887 114.554 0.136 0.000 2.746 189 T HA -0.198 4.154 4.350 0.003 0.000 0.267 189 T C 1.441 176.177 174.700 0.061 0.000 1.039 189 T CA 1.420 63.666 62.100 0.242 0.000 1.142 189 T CB -0.528 68.598 68.868 0.430 0.000 0.866 189 T HN 0.366 nan 8.240 nan 0.000 0.444 190 Y N 2.821 123.115 120.300 -0.010 0.000 2.081 190 Y HA -0.233 4.319 4.550 0.003 0.000 0.280 190 Y C 2.256 178.089 175.900 -0.111 0.000 1.163 190 Y CA 1.533 59.581 58.100 -0.085 0.000 1.135 190 Y CB -0.544 37.843 38.460 -0.122 0.000 0.970 190 Y HN 0.142 nan 8.280 nan 0.000 0.498 191 N N 0.393 118.932 118.700 -0.268 0.000 2.106 191 N HA -0.154 4.588 4.740 0.003 0.000 0.188 191 N C 1.943 177.291 175.510 -0.271 0.000 1.029 191 N CA 1.817 54.683 53.050 -0.307 0.000 0.848 191 N CB -0.440 38.016 38.487 -0.053 0.000 1.007 191 N HN 0.422 nan 8.380 nan 0.000 0.423 192 L N 0.634 121.749 121.223 -0.179 0.000 2.056 192 L HA -0.058 4.284 4.340 0.003 0.000 0.207 192 L C 2.486 179.146 176.870 -0.349 0.000 1.078 192 L CA 0.902 55.664 54.840 -0.129 0.000 0.749 192 L CB -0.323 41.754 42.059 0.030 0.000 0.901 192 L HN 0.121 nan 8.230 nan 0.000 0.433 193 M N -0.393 118.850 119.600 -0.594 0.000 2.132 193 M HA -0.156 4.326 4.480 0.003 0.000 0.263 193 M C 2.657 178.701 176.300 -0.427 0.000 1.065 193 M CA 2.035 56.965 55.300 -0.617 0.000 1.122 193 M CB -0.392 31.909 32.600 -0.499 0.000 1.365 193 M HN 0.385 nan 8.290 nan 0.000 0.411 194 S N 0.699 116.092 115.700 -0.511 0.000 2.382 194 S HA -0.087 4.385 4.470 0.003 0.000 0.228 194 S C 1.746 176.104 174.600 -0.404 0.000 1.027 194 S CA 0.990 58.885 58.200 -0.507 0.000 0.991 194 S CB -0.867 61.842 63.200 -0.820 0.000 0.823 194 S HN 0.472 nan 8.310 nan 0.000 0.469 195 L N 0.589 121.619 121.223 -0.321 0.000 2.478 195 L HA 0.192 4.534 4.340 0.003 0.000 0.223 195 L C 0.603 177.255 176.870 -0.363 0.000 1.140 195 L CA 0.518 55.204 54.840 -0.256 0.000 0.842 195 L CB -0.473 41.558 42.059 -0.047 0.000 0.953 195 L HN 0.304 nan 8.230 nan 0.000 0.452 196 K N -2.038 118.166 120.400 -0.327 0.000 3.294 196 K HA -0.221 4.100 4.320 0.003 0.000 0.277 196 K C 0.207 176.617 176.600 -0.316 0.000 1.235 196 K CA 0.261 56.366 56.287 -0.303 0.000 0.818 196 K CB -2.043 30.276 32.500 -0.302 0.000 1.371 196 K HN 0.197 nan 8.250 nan 0.000 0.520 197 Y N -0.090 120.076 120.300 -0.225 0.000 2.365 197 Y HA 0.038 4.590 4.550 0.003 0.000 0.293 197 Y C 1.112 177.087 175.900 0.125 0.000 1.119 197 Y CA 1.252 59.268 58.100 -0.140 0.000 1.203 197 Y CB 0.307 38.731 38.460 -0.061 0.000 1.026 197 Y HN 0.348 nan 8.280 nan 0.000 0.549 198 F N -3.660 116.364 119.950 0.124 0.000 2.745 198 F HA 0.710 5.238 4.527 0.003 0.000 0.316 198 F C -0.702 175.118 175.800 0.034 0.000 1.155 198 F CA -1.204 56.841 58.000 0.075 0.000 0.937 198 F CB 1.555 40.592 39.000 0.063 0.000 1.361 198 F HN -0.415 nan 8.300 nan 0.000 0.472 199 T N -1.205 113.492 114.554 0.238 0.000 2.778 199 T HA 0.438 4.790 4.350 0.003 0.000 0.293 199 T C -1.968 172.818 174.700 0.144 0.000 1.144 199 T CA -0.447 61.730 62.100 0.128 0.000 1.010 199 T CB 1.396 70.282 68.868 0.029 0.000 1.325 199 T HN 0.797 nan 8.240 nan 0.000 0.515 200 H N -0.210 118.938 119.070 0.129 0.000 2.670 200 H HA 0.686 5.244 4.556 0.003 0.000 0.361 200 H C 0.278 175.627 175.328 0.036 0.000 1.169 200 H CA -0.388 55.722 56.048 0.103 0.000 1.198 200 H CB 1.744 31.563 29.762 0.096 0.000 1.700 200 H HN 0.865 nan 8.280 nan 0.000 0.542 201 A N 1.134 124.039 122.820 0.142 0.000 2.448 201 A HA 0.026 4.348 4.320 0.003 0.000 0.239 201 A C 1.491 179.090 177.584 0.026 0.000 1.080 201 A CA 0.341 52.417 52.037 0.066 0.000 0.779 201 A CB 0.141 19.174 19.000 0.054 0.000 1.026 201 A HN 0.841 nan 8.150 nan 0.000 0.499 202 S N 1.407 117.095 115.700 -0.019 0.000 2.380 202 S HA -0.155 4.317 4.470 0.003 0.000 0.229 202 S C -0.576 173.808 174.600 -0.359 0.000 1.050 202 S CA 2.468 60.558 58.200 -0.183 0.000 1.100 202 S CB -1.193 61.908 63.200 -0.165 0.000 0.984 202 S HN 0.741 nan 8.310 nan 0.000 0.434 203 P HA -0.015 nan 4.420 nan 0.000 0.218 203 P C 1.338 178.693 177.300 0.090 0.000 1.149 203 P CA 1.171 64.348 63.100 0.129 0.000 0.817 203 P CB -0.242 31.546 31.700 0.146 0.000 0.785 204 T N -0.164 114.413 114.554 0.039 0.000 2.708 204 T HA -0.085 4.266 4.350 0.003 0.000 0.266 204 T C 1.716 176.432 174.700 0.027 0.000 1.037 204 T CA 1.135 63.252 62.100 0.028 0.000 1.146 204 T CB -0.938 67.949 68.868 0.032 0.000 0.865 204 T HN 0.075 nan 8.240 nan 0.000 0.435 205 L N -0.321 120.904 121.223 0.004 0.000 2.083 205 L HA -0.021 4.320 4.340 0.003 0.000 0.209 205 L C 2.347 179.274 176.870 0.094 0.000 1.083 205 L CA 1.441 56.302 54.840 0.035 0.000 0.752 205 L CB -0.733 41.352 42.059 0.044 0.000 0.899 205 L HN 0.268 nan 8.230 nan 0.000 0.433 206 F N 0.172 120.178 119.950 0.092 0.000 2.113 206 F HA -0.171 4.358 4.527 0.003 0.000 0.297 206 F C 2.191 177.997 175.800 0.011 0.000 1.103 206 F CA 0.859 58.860 58.000 0.002 0.000 1.248 206 F CB -0.071 38.892 39.000 -0.061 0.000 0.999 206 F HN 0.190 nan 8.300 nan 0.000 0.475 207 N N -0.365 118.464 118.700 0.216 0.000 2.257 207 N HA 0.175 4.917 4.740 0.003 0.000 0.200 207 N C 0.224 175.783 175.510 0.081 0.000 1.163 207 N CA 0.248 53.377 53.050 0.131 0.000 0.891 207 N CB 0.123 38.685 38.487 0.125 0.000 1.067 207 N HN -0.045 nan 8.380 nan 0.000 0.497 208 A N 0.581 123.443 122.820 0.069 0.000 2.545 208 A HA 0.432 4.754 4.320 0.003 0.000 0.253 208 A C 1.400 179.023 177.584 0.065 0.000 1.074 208 A CA 0.939 52.999 52.037 0.039 0.000 0.760 208 A CB -0.583 18.419 19.000 0.002 0.000 1.005 208 A HN 0.464 nan 8.150 nan 0.000 0.506 209 G N 2.047 110.884 108.800 0.061 0.000 2.157 209 G HA2 -0.163 3.799 3.960 0.003 0.000 0.248 209 G HA3 -0.163 3.799 3.960 0.003 0.000 0.248 209 G C 0.512 175.463 174.900 0.085 0.000 0.979 209 G CA 1.109 46.259 45.100 0.083 0.000 0.650 209 G HN 2.109 nan 8.290 nan 0.000 0.529 210 T N -2.514 112.077 114.554 0.062 0.000 2.936 210 T HA 0.731 5.083 4.350 0.003 0.000 0.282 210 T C -0.703 174.008 174.700 0.017 0.000 1.003 210 T CA -0.953 61.173 62.100 0.044 0.000 1.005 210 T CB 2.693 71.575 68.868 0.023 0.000 1.097 210 T HN -0.077 nan 8.240 nan 0.000 0.532 211 P HA 0.007 nan 4.420 nan 0.000 0.218 211 P C 0.235 177.460 177.300 -0.126 0.000 1.149 211 P CA 1.093 64.172 63.100 -0.035 0.000 0.817 211 P CB 0.126 31.801 31.700 -0.043 0.000 0.785 212 K N 0.550 120.824 120.400 -0.210 0.000 2.499 212 K HA 0.309 4.630 4.320 0.003 0.000 0.215 212 K C -2.588 173.870 176.600 -0.238 0.000 1.041 212 K CA -2.011 53.994 56.287 -0.470 0.000 1.031 212 K CB 0.981 33.054 32.500 -0.711 0.000 1.479 212 K HN 0.130 nan 8.250 nan 0.000 0.518 213 P HA 0.110 nan 4.420 nan 0.000 0.256 213 P C -0.355 177.004 177.300 0.098 0.000 1.689 213 P CA -0.432 62.688 63.100 0.033 0.000 1.124 213 P CB 0.551 32.274 31.700 0.037 0.000 1.766 214 Q N 3.219 123.096 119.800 0.128 0.000 2.456 214 Q HA 0.299 4.640 4.340 0.003 0.000 0.234 214 Q C 0.325 176.392 176.000 0.111 0.000 1.061 214 Q CA -0.035 55.874 55.803 0.177 0.000 0.896 214 Q CB 0.623 29.524 28.738 0.272 0.000 1.233 214 Q HN 0.429 nan 8.270 nan 0.000 0.506 215 M N 0.354 119.978 119.600 0.039 0.000 2.428 215 M HA 0.156 4.638 4.480 0.003 0.000 0.239 215 M C 0.193 176.501 176.300 0.012 0.000 1.121 215 M CA 0.058 55.374 55.300 0.027 0.000 1.019 215 M CB 0.756 33.350 32.600 -0.010 0.000 1.485 215 M HN 0.158 nan 8.290 nan 0.000 0.484 216 S N -0.167 115.521 115.700 -0.020 0.000 2.508 216 S HA 0.242 4.713 4.470 0.003 0.000 0.284 216 S C 1.016 175.535 174.600 -0.135 0.000 1.192 216 S CA -0.546 57.588 58.200 -0.110 0.000 1.070 216 S CB 1.847 64.912 63.200 -0.226 0.000 1.004 216 S HN 0.144 nan 8.310 nan 0.000 0.493 217 S N 1.151 116.773 115.700 -0.129 0.000 2.368 217 S HA -0.044 4.428 4.470 0.003 0.000 0.225 217 S C 0.882 175.403 174.600 -0.132 0.000 1.030 217 S CA 0.936 59.091 58.200 -0.075 0.000 0.999 217 S CB -0.315 62.860 63.200 -0.041 0.000 0.844 217 S HN 0.948 nan 8.310 nan 0.000 0.459 218 c N -1.324 117.065 118.600 -0.352 0.000 3.332 218 c HA 0.869 5.440 4.570 0.003 0.000 0.329 218 c C -1.513 172.175 174.090 -0.671 0.000 1.434 218 c CA -1.776 54.373 56.329 -0.301 0.000 1.314 218 c CB 0.322 42.774 42.510 -0.098 0.000 1.664 218 c HN 0.214 nan 8.230 nan 0.000 0.457 219 F N 0.381 120.309 119.950 -0.036 0.000 2.588 219 F HA 0.749 5.278 4.527 0.003 0.000 0.310 219 F C -0.389 175.366 175.800 -0.075 0.000 1.082 219 F CA -0.942 57.035 58.000 -0.039 0.000 0.929 219 F CB 1.653 40.631 39.000 -0.037 0.000 1.254 219 F HN 0.471 nan 8.300 nan 0.000 0.455 220 L N 3.973 125.246 121.223 0.083 0.000 2.316 220 L HA 0.626 4.967 4.340 0.003 0.000 0.280 220 L C -0.971 175.880 176.870 -0.032 0.000 1.006 220 L CA -0.892 53.936 54.840 -0.020 0.000 0.836 220 L CB 1.302 43.306 42.059 -0.090 0.000 1.221 220 L HN 0.299 nan 8.230 nan 0.000 0.418 221 V N 2.272 122.136 119.914 -0.083 0.000 2.427 221 V HA 0.511 4.633 4.120 0.003 0.000 0.286 221 V C 0.712 176.580 176.094 -0.376 0.000 1.034 221 V CA -0.565 61.652 62.300 -0.139 0.000 0.893 221 V CB 1.636 33.412 31.823 -0.079 0.000 0.982 221 V HN 0.858 nan 8.190 nan 0.000 0.452 222 A N 5.502 128.091 122.820 -0.385 0.000 2.409 222 A HA 0.582 4.904 4.320 0.003 0.000 0.267 222 A C 0.046 177.404 177.584 -0.376 0.000 1.127 222 A CA -0.431 51.234 52.037 -0.619 0.000 0.795 222 A CB 0.139 19.016 19.000 -0.205 0.000 1.061 222 A HN 0.911 nan 8.150 nan 0.000 0.502 223 M N 3.003 122.347 119.600 -0.426 0.000 2.327 223 M HA 0.091 4.573 4.480 0.003 0.000 0.353 223 M C 0.860 177.121 176.300 -0.065 0.000 1.539 223 M CA 0.805 55.996 55.300 -0.181 0.000 1.039 223 M CB -0.102 32.398 32.600 -0.167 0.000 1.967 223 M HN 0.730 nan 8.290 nan 0.000 0.459 224 K N 2.536 122.929 120.400 -0.012 0.000 2.211 224 K HA -0.032 4.289 4.320 0.003 0.000 0.203 224 K C 0.114 176.741 176.600 0.044 0.000 1.050 224 K CA 1.199 57.497 56.287 0.019 0.000 0.945 224 K CB 0.121 32.640 32.500 0.032 0.000 0.732 224 K HN 0.806 nan 8.250 nan 0.000 0.451 225 E N -0.209 120.023 120.200 0.053 0.000 2.393 225 E HA -0.033 4.319 4.350 0.003 0.000 0.282 225 E C -1.865 174.779 176.600 0.073 0.000 1.096 225 E CA -0.391 56.049 56.400 0.067 0.000 0.866 225 E CB 1.071 30.810 29.700 0.064 0.000 1.232 225 E HN -0.115 nan 8.360 nan 0.000 0.431 226 D N 2.164 122.612 120.400 0.080 0.000 2.767 226 D HA 0.180 4.822 4.640 0.003 0.000 0.231 226 D C -1.217 175.128 176.300 0.076 0.000 1.105 226 D CA 0.533 54.583 54.000 0.084 0.000 1.024 226 D CB -0.277 40.580 40.800 0.095 0.000 1.123 226 D HN 0.424 nan 8.370 nan 0.000 0.470 227 S N -0.069 115.679 115.700 0.080 0.000 2.570 227 S HA 0.298 4.770 4.470 0.003 0.000 0.270 227 S C 1.156 175.821 174.600 0.109 0.000 1.149 227 S CA -0.900 57.346 58.200 0.077 0.000 0.837 227 S CB 0.940 64.178 63.200 0.063 0.000 1.124 227 S HN -0.079 nan 8.310 nan 0.000 0.465 228 I N 1.384 122.021 120.570 0.113 0.000 2.185 228 I HA -0.209 3.963 4.170 0.003 0.000 0.246 228 I C 2.389 178.635 176.117 0.216 0.000 1.088 228 I CA 1.889 63.297 61.300 0.181 0.000 1.347 228 I CB -1.681 36.361 38.000 0.070 0.000 1.041 228 I HN 0.791 nan 8.210 nan 0.000 0.415 229 E N 0.765 121.034 120.200 0.116 0.000 2.038 229 E HA -0.165 4.186 4.350 0.003 0.000 0.195 229 E C 2.356 179.031 176.600 0.125 0.000 1.000 229 E CA 1.607 58.068 56.400 0.101 0.000 0.803 229 E CB -0.770 28.966 29.700 0.060 0.000 0.750 229 E HN 0.558 nan 8.360 nan 0.000 0.448 230 G N 0.347 109.212 108.800 0.107 0.000 2.402 230 G HA2 -0.208 3.754 3.960 0.003 0.000 0.216 230 G HA3 -0.208 3.754 3.960 0.003 0.000 0.216 230 G C 1.651 176.612 174.900 0.102 0.000 1.162 230 G CA 0.720 45.875 45.100 0.091 0.000 0.777 230 G HN 0.158 nan 8.290 nan 0.000 0.539 231 I N -0.679 119.964 120.570 0.120 0.000 2.208 231 I HA -0.198 3.974 4.170 0.003 0.000 0.245 231 I C 2.410 178.481 176.117 -0.076 0.000 1.097 231 I CA 1.113 62.464 61.300 0.085 0.000 1.363 231 I CB -0.196 37.852 38.000 0.080 0.000 1.051 231 I HN 0.135 nan 8.210 nan 0.000 0.413 232 Y N 0.489 120.792 120.300 0.005 0.000 2.395 232 Y HA -0.162 4.390 4.550 0.003 0.000 0.293 232 Y C 2.254 178.137 175.900 -0.028 0.000 1.123 232 Y CA 0.897 58.968 58.100 -0.050 0.000 1.227 232 Y CB -0.323 38.105 38.460 -0.053 0.000 1.012 232 Y HN 0.159 nan 8.280 nan 0.000 0.552 233 D N -0.831 119.639 120.400 0.116 0.000 2.144 233 D HA -0.133 4.509 4.640 0.003 0.000 0.199 233 D C 2.029 178.360 176.300 0.051 0.000 0.984 233 D CA 1.772 55.815 54.000 0.070 0.000 0.834 233 D CB -0.409 40.430 40.800 0.064 0.000 0.955 233 D HN 0.263 nan 8.370 nan 0.000 0.465 234 T N 1.232 115.827 114.554 0.068 0.000 2.777 234 T HA -0.109 4.242 4.350 0.003 0.000 0.266 234 T C 1.960 176.746 174.700 0.143 0.000 1.040 234 T CA 0.371 62.545 62.100 0.122 0.000 1.141 234 T CB -0.318 68.668 68.868 0.198 0.000 0.868 234 T HN 0.022 nan 8.240 nan 0.000 0.444 235 L N 1.679 122.871 121.223 -0.052 0.000 1.989 235 L HA -0.076 4.266 4.340 0.003 0.000 0.211 235 L C 2.411 179.212 176.870 -0.115 0.000 1.071 235 L CA 1.934 56.567 54.840 -0.345 0.000 0.749 235 L CB -0.553 41.062 42.059 -0.741 0.000 0.890 235 L HN 0.111 nan 8.230 nan 0.000 0.431 236 K N -0.565 119.804 120.400 -0.052 0.000 2.044 236 K HA -0.295 4.027 4.320 0.003 0.000 0.210 236 K C 2.176 178.786 176.600 0.016 0.000 1.049 236 K CA 2.096 58.385 56.287 0.002 0.000 0.927 236 K CB -0.312 32.203 32.500 0.024 0.000 0.713 236 K HN 0.580 nan 8.250 nan 0.000 0.443 237 E N 0.017 120.231 120.200 0.023 0.000 2.077 237 E HA -0.208 4.144 4.350 0.003 0.000 0.193 237 E C 1.925 178.531 176.600 0.010 0.000 0.989 237 E CA 1.553 57.959 56.400 0.009 0.000 0.800 237 E CB -0.090 29.618 29.700 0.012 0.000 0.746 237 E HN 0.466 nan 8.360 nan 0.000 0.452 238 C N 0.443 119.799 119.300 0.093 0.000 2.422 238 C HA -0.004 4.457 4.460 0.003 0.000 0.279 238 C C 2.805 177.871 174.990 0.126 0.000 1.305 238 C CA 0.793 59.911 59.018 0.167 0.000 1.757 238 C CB -0.997 27.039 27.740 0.494 0.000 1.962 238 C HN 0.599 nan 8.230 nan 0.000 0.499 239 A N 0.371 123.243 122.820 0.088 0.000 1.872 239 A HA -0.032 4.289 4.320 0.003 0.000 0.214 239 A C 2.100 179.704 177.584 0.034 0.000 1.187 239 A CA 1.201 53.282 52.037 0.074 0.000 0.614 239 A CB -0.559 18.481 19.000 0.068 0.000 0.826 239 A HN 0.566 nan 8.150 nan 0.000 0.442 240 L N -0.435 120.794 121.223 0.009 0.000 2.012 240 L HA -0.207 4.135 4.340 0.003 0.000 0.210 240 L C 2.461 179.294 176.870 -0.062 0.000 1.073 240 L CA 1.457 56.288 54.840 -0.015 0.000 0.748 240 L CB -0.564 41.481 42.059 -0.022 0.000 0.891 240 L HN 0.370 nan 8.230 nan 0.000 0.431 241 I N -0.787 119.705 120.570 -0.131 0.000 2.361 241 I HA -0.259 3.913 4.170 0.003 0.000 0.251 241 I C 2.233 178.267 176.117 -0.138 0.000 1.133 241 I CA 1.103 62.236 61.300 -0.277 0.000 1.413 241 I CB -0.175 37.550 38.000 -0.459 0.000 1.073 241 I HN 0.174 nan 8.210 nan 0.000 0.424 242 S N 0.064 115.739 115.700 -0.041 0.000 2.527 242 S HA -0.011 4.461 4.470 0.003 0.000 0.222 242 S C 1.710 176.312 174.600 0.004 0.000 0.985 242 S CA 0.346 58.553 58.200 0.011 0.000 0.921 242 S CB -0.017 63.224 63.200 0.069 0.000 0.772 242 S HN 0.366 nan 8.310 nan 0.000 0.529 243 K N 1.292 121.689 120.400 -0.003 0.000 2.280 243 K HA -0.051 4.271 4.320 0.003 0.000 0.202 243 K C 1.347 177.950 176.600 0.007 0.000 1.047 243 K CA 1.535 57.819 56.287 -0.005 0.000 0.942 243 K CB -0.083 32.423 32.500 0.011 0.000 0.739 243 K HN 0.458 nan 8.250 nan 0.000 0.457 244 T N -2.567 112.007 114.554 0.034 0.000 3.111 244 T HA 0.550 4.901 4.350 0.003 0.000 0.284 244 T C 0.343 175.094 174.700 0.084 0.000 0.983 244 T CA -0.108 62.030 62.100 0.064 0.000 0.900 244 T CB 0.401 69.357 68.868 0.146 0.000 1.132 244 T HN 0.228 nan 8.240 nan 0.000 0.531 245 A N 0.687 123.547 122.820 0.066 0.000 6.458 245 A HA 0.321 4.643 4.320 0.003 0.000 0.279 245 A C 0.831 178.532 177.584 0.196 0.000 2.024 245 A CA 0.556 52.651 52.037 0.097 0.000 0.770 245 A CB -1.593 17.442 19.000 0.059 0.000 1.107 245 A HN 2.449 nan 8.150 nan 0.000 0.396 246 G N -2.627 106.287 108.800 0.189 0.000 2.788 246 G HA2 0.566 4.527 3.960 0.003 0.000 0.686 246 G HA3 0.566 4.527 3.960 0.003 0.000 0.686 246 G C 0.827 175.853 174.900 0.210 0.000 1.147 246 G CA 0.551 45.786 45.100 0.225 0.000 0.755 246 G HN 2.815 nan 8.290 nan 0.000 0.634 247 G N -0.592 108.292 108.800 0.139 0.000 2.606 247 G HA2 0.617 4.579 3.960 0.003 0.000 0.252 247 G HA3 0.617 4.579 3.960 0.003 0.000 0.252 247 G C 0.110 175.045 174.900 0.057 0.000 1.206 247 G CA -0.440 44.705 45.100 0.075 0.000 0.861 247 G HN 1.054 nan 8.290 nan 0.000 0.561 248 I N 0.403 120.890 120.570 -0.137 0.000 2.436 248 I HA 0.418 4.590 4.170 0.003 0.000 0.289 248 I C 0.536 176.561 176.117 -0.152 0.000 1.010 248 I CA -0.712 60.440 61.300 -0.246 0.000 1.098 248 I CB 2.368 39.925 38.000 -0.739 0.000 1.266 248 I HN 0.556 nan 8.210 nan 0.000 0.434 249 G N 6.440 115.229 108.800 -0.018 0.000 2.347 249 G HA2 0.595 4.557 3.960 0.003 0.000 0.314 249 G HA3 0.595 4.557 3.960 0.003 0.000 0.314 249 G C -1.344 173.581 174.900 0.042 0.000 1.126 249 G CA -0.313 44.852 45.100 0.109 0.000 0.929 249 G HN 0.410 nan 8.290 nan 0.000 0.441 250 L N 4.173 125.468 121.223 0.119 0.000 2.349 250 L HA 0.501 4.843 4.340 0.003 0.000 0.278 250 L C -0.051 176.786 176.870 -0.055 0.000 0.996 250 L CA -0.962 53.858 54.840 -0.032 0.000 0.825 250 L CB 1.240 43.305 42.059 0.010 0.000 1.243 250 L HN 0.720 nan 8.230 nan 0.000 0.412 251 H N 5.300 124.244 119.070 -0.210 0.000 2.489 251 H HA 0.442 5.000 4.556 0.003 0.000 0.322 251 H C -0.106 174.935 175.328 -0.477 0.000 1.091 251 H CA -0.794 55.002 56.048 -0.420 0.000 1.291 251 H CB 1.458 30.879 29.762 -0.569 0.000 1.436 251 H HN 0.830 nan 8.280 nan 0.000 0.480 252 I N 0.463 120.741 120.570 -0.486 0.000 3.658 252 I HA 0.136 4.308 4.170 0.003 0.000 0.328 252 I C 0.142 176.065 176.117 -0.325 0.000 1.567 252 I CA -0.785 60.291 61.300 -0.373 0.000 1.078 252 I CB -0.041 37.732 38.000 -0.378 0.000 1.267 252 I HN 0.461 nan 8.210 nan 0.000 0.495 253 H N 2.460 121.510 119.070 -0.034 0.000 2.518 253 H HA -0.031 4.527 4.556 0.003 0.000 0.289 253 H C 1.212 176.678 175.328 0.230 0.000 1.051 253 H CA 1.383 57.442 56.048 0.019 0.000 1.280 253 H CB -0.260 29.583 29.762 0.135 0.000 1.380 253 H HN 0.668 nan 8.280 nan 0.000 0.566 254 N N 0.831 119.682 118.700 0.252 0.000 2.280 254 N HA -0.023 4.719 4.740 0.003 0.000 0.192 254 N C 0.302 175.930 175.510 0.198 0.000 1.109 254 N CA 0.002 53.205 53.050 0.255 0.000 0.855 254 N CB 0.400 39.009 38.487 0.203 0.000 0.974 254 N HN 0.073 nan 8.380 nan 0.000 0.482 255 I N 3.086 123.754 120.570 0.164 0.000 2.371 255 I HA 0.119 4.291 4.170 0.003 0.000 0.290 255 I C 0.985 177.261 176.117 0.266 0.000 1.028 255 I CA -0.735 60.656 61.300 0.151 0.000 1.345 255 I CB 0.924 38.962 38.000 0.062 0.000 1.407 255 I HN 0.172 nan 8.210 nan 0.000 0.501 256 R N 4.638 125.253 120.500 0.192 0.000 2.623 256 R HA 0.237 4.579 4.340 0.003 0.000 0.271 256 R C 0.176 176.579 176.300 0.172 0.000 1.043 256 R CA -0.394 55.806 56.100 0.167 0.000 1.083 256 R CB 0.241 30.610 30.300 0.114 0.000 0.974 256 R HN 0.673 nan 8.270 nan 0.000 0.436 257 S N 1.937 117.706 115.700 0.114 0.000 2.645 257 S HA 0.103 4.575 4.470 0.003 0.000 0.266 257 S C -0.091 174.573 174.600 0.106 0.000 1.258 257 S CA -0.785 57.494 58.200 0.131 0.000 0.990 257 S CB 0.949 64.147 63.200 -0.004 0.000 0.967 257 S HN 0.650 nan 8.310 nan 0.000 0.556 258 T N 1.517 116.138 114.554 0.112 0.000 2.867 258 T HA 0.376 4.728 4.350 0.003 0.000 0.290 258 T C 1.546 176.289 174.700 0.072 0.000 1.025 258 T CA 1.075 63.227 62.100 0.087 0.000 1.146 258 T CB -0.594 68.326 68.868 0.087 0.000 1.024 258 T HN 1.704 nan 8.240 nan 0.000 0.519 259 G N 2.745 111.585 108.800 0.065 0.000 2.199 259 G HA2 -0.281 3.681 3.960 0.003 0.000 0.254 259 G HA3 -0.281 3.681 3.960 0.003 0.000 0.254 259 G C 0.430 175.377 174.900 0.079 0.000 0.982 259 G CA 0.092 45.230 45.100 0.064 0.000 0.632 259 G HN 0.833 nan 8.290 nan 0.000 0.529 260 S N -0.129 115.621 115.700 0.083 0.000 2.576 260 S HA 0.464 4.936 4.470 0.003 0.000 0.276 260 S C 0.059 174.735 174.600 0.126 0.000 1.339 260 S CA -0.387 57.876 58.200 0.106 0.000 1.039 260 S CB 0.748 64.005 63.200 0.094 0.000 0.902 260 S HN 0.570 nan 8.310 nan 0.000 0.516 261 Y N 2.968 123.282 120.300 0.023 0.000 2.411 261 Y HA 0.436 4.988 4.550 0.003 0.000 0.333 261 Y C -0.393 175.522 175.900 0.024 0.000 1.186 261 Y CA 0.024 58.136 58.100 0.020 0.000 1.381 261 Y CB 0.289 38.757 38.460 0.014 0.000 1.273 261 Y HN 0.466 nan 8.280 nan 0.000 0.546 262 I N 5.776 125.927 120.570 -0.698 0.000 2.466 262 I HA 0.445 4.617 4.170 0.003 0.000 0.289 262 I C -0.452 175.169 176.117 -0.827 0.000 1.026 262 I CA -1.094 59.869 61.300 -0.561 0.000 1.078 262 I CB 1.744 39.601 38.000 -0.239 0.000 1.249 262 I HN 0.789 nan 8.210 nan 0.000 0.429 263 A N 4.125 126.605 122.820 -0.566 0.000 2.477 263 A HA 0.530 4.851 4.320 0.003 0.000 0.246 263 A C 1.211 178.695 177.584 -0.166 0.000 1.078 263 A CA 0.711 52.558 52.037 -0.317 0.000 0.770 263 A CB -0.134 18.833 19.000 -0.056 0.000 1.011 263 A HN 1.356 nan 8.150 nan 0.000 0.494 264 G N 1.561 110.309 108.800 -0.087 0.000 2.157 264 G HA2 -0.094 3.867 3.960 0.003 0.000 0.248 264 G HA3 -0.094 3.867 3.960 0.003 0.000 0.248 264 G C 0.316 175.183 174.900 -0.054 0.000 0.979 264 G CA 0.983 46.058 45.100 -0.043 0.000 0.650 264 G HN 2.297 nan 8.290 nan 0.000 0.529 265 T N -2.599 111.898 114.554 -0.094 0.000 2.909 265 T HA 0.546 4.897 4.350 0.003 0.000 0.299 265 T C 0.935 175.611 174.700 -0.041 0.000 1.073 265 T CA 0.052 62.112 62.100 -0.066 0.000 0.999 265 T CB 1.313 70.136 68.868 -0.074 0.000 1.098 265 T HN 0.231 nan 8.240 nan 0.000 0.477 266 N N 1.204 119.901 118.700 -0.005 0.000 2.272 266 N HA 0.058 4.800 4.740 0.003 0.000 0.185 266 N C 1.147 176.666 175.510 0.015 0.000 1.014 266 N CA 0.720 53.781 53.050 0.018 0.000 0.870 266 N CB -0.270 38.226 38.487 0.015 0.000 0.975 266 N HN 0.870 nan 8.380 nan 0.000 0.433 267 G N -0.335 108.459 108.800 -0.010 0.000 2.572 267 G HA2 0.425 4.387 3.960 0.003 0.000 0.261 267 G HA3 0.425 4.387 3.960 0.003 0.000 0.261 267 G C -0.133 174.757 174.900 -0.017 0.000 1.197 267 G CA -0.259 44.836 45.100 -0.008 0.000 0.870 267 G HN 0.273 nan 8.290 nan 0.000 0.548 268 T N -2.123 112.436 114.554 0.008 0.000 2.942 268 T HA 0.600 4.952 4.350 0.003 0.000 0.289 268 T C 0.436 175.147 174.700 0.019 0.000 1.044 268 T CA -0.492 61.620 62.100 0.020 0.000 1.023 268 T CB 1.588 70.489 68.868 0.054 0.000 1.123 268 T HN 0.683 nan 8.240 nan 0.000 0.512 269 S N -0.043 115.674 115.700 0.029 0.000 2.568 269 S HA 0.052 4.523 4.470 0.003 0.000 0.282 269 S C 1.066 175.697 174.600 0.050 0.000 1.338 269 S CA -0.256 57.969 58.200 0.041 0.000 1.045 269 S CB -0.453 62.781 63.200 0.057 0.000 0.873 269 S HN 0.736 nan 8.310 nan 0.000 0.516 270 N N 2.450 121.180 118.700 0.051 0.000 2.457 270 N HA 0.220 4.962 4.740 0.003 0.000 0.180 270 N C 1.048 176.599 175.510 0.069 0.000 1.050 270 N CA 0.276 53.358 53.050 0.053 0.000 0.906 270 N CB -0.142 38.374 38.487 0.048 0.000 0.968 270 N HN 0.893 nan 8.380 nan 0.000 0.445 271 G N 0.791 109.641 108.800 0.082 0.000 2.542 271 G HA2 -0.293 3.669 3.960 0.003 0.000 0.235 271 G HA3 -0.293 3.669 3.960 0.003 0.000 0.235 271 G C 0.358 175.314 174.900 0.092 0.000 1.286 271 G CA -0.308 44.858 45.100 0.109 0.000 0.904 271 G HN 0.089 nan 8.290 nan 0.000 0.577 272 L N 0.065 121.344 121.223 0.093 0.000 2.145 272 L HA 0.104 4.446 4.340 0.003 0.000 0.201 272 L C 3.089 179.984 176.870 0.041 0.000 1.075 272 L CA 0.575 55.438 54.840 0.038 0.000 0.773 272 L CB -0.485 41.561 42.059 -0.022 0.000 0.936 272 L HN 0.539 nan 8.230 nan 0.000 0.451 273 I N 0.689 121.294 120.570 0.058 0.000 2.127 273 I HA -0.186 3.986 4.170 0.003 0.000 0.241 273 I C -0.077 176.055 176.117 0.026 0.000 1.075 273 I CA 1.769 63.093 61.300 0.040 0.000 1.334 273 I CB -2.601 35.423 38.000 0.039 0.000 1.040 273 I HN 0.125 nan 8.210 nan 0.000 0.405 274 P HA -0.188 nan 4.420 nan 0.000 0.216 274 P C 2.197 179.520 177.300 0.037 0.000 1.150 274 P CA 1.555 64.673 63.100 0.030 0.000 0.843 274 P CB -0.145 31.577 31.700 0.038 0.000 0.787 275 M N -1.347 118.285 119.600 0.053 0.000 2.200 275 M HA -0.092 4.390 4.480 0.003 0.000 0.265 275 M C 1.902 178.284 176.300 0.136 0.000 1.066 275 M CA 1.676 57.029 55.300 0.088 0.000 1.127 275 M CB -0.508 32.146 32.600 0.089 0.000 1.379 275 M HN -0.151 nan 8.290 nan 0.000 0.420 276 I N 0.059 120.661 120.570 0.053 0.000 2.264 276 I HA -0.329 3.843 4.170 0.003 0.000 0.248 276 I C 2.313 178.436 176.117 0.009 0.000 1.111 276 I CA 1.318 62.623 61.300 0.010 0.000 1.382 276 I CB -0.381 37.602 38.000 -0.029 0.000 1.060 276 I HN 0.313 nan 8.210 nan 0.000 0.418 277 R N -0.072 120.427 120.500 -0.002 0.000 2.148 277 R HA -0.084 4.257 4.340 0.003 0.000 0.227 277 R C 2.230 178.507 176.300 -0.038 0.000 1.103 277 R CA 0.911 56.995 56.100 -0.027 0.000 0.983 277 R CB -0.244 30.042 30.300 -0.023 0.000 0.874 277 R HN 0.246 nan 8.270 nan 0.000 0.451 278 V N 0.227 120.121 119.914 -0.033 0.000 2.307 278 V HA -0.212 3.909 4.120 0.003 0.000 0.245 278 V C 1.812 177.765 176.094 -0.235 0.000 1.045 278 V CA 1.725 63.943 62.300 -0.136 0.000 1.024 278 V CB -0.465 31.232 31.823 -0.210 0.000 0.651 278 V HN 0.167 nan 8.190 nan 0.000 0.449 279 F N 0.669 120.461 119.950 -0.262 0.000 2.186 279 F HA -0.122 4.407 4.527 0.003 0.000 0.299 279 F C 2.428 177.978 175.800 -0.417 0.000 1.090 279 F CA 1.720 59.480 58.000 -0.400 0.000 1.307 279 F CB -0.528 38.126 39.000 -0.576 0.000 1.019 279 F HN 0.206 nan 8.300 nan 0.000 0.489 280 N N 0.917 119.536 118.700 -0.134 0.000 2.043 280 N HA -0.263 4.478 4.740 0.003 0.000 0.193 280 N C 1.769 177.239 175.510 -0.065 0.000 1.037 280 N CA 1.750 54.728 53.050 -0.120 0.000 0.851 280 N CB -0.735 37.698 38.487 -0.090 0.000 1.027 280 N HN 0.257 nan 8.380 nan 0.000 0.422 281 N N -0.750 117.913 118.700 -0.061 0.000 2.149 281 N HA -0.141 4.600 4.740 0.003 0.000 0.188 281 N C 1.147 176.662 175.510 0.008 0.000 1.019 281 N CA 1.723 54.755 53.050 -0.030 0.000 0.857 281 N CB -0.253 38.204 38.487 -0.051 0.000 0.997 281 N HN 0.258 nan 8.380 nan 0.000 0.426 282 T N 0.785 115.316 114.554 -0.039 0.000 2.737 282 T HA -0.008 4.344 4.350 0.003 0.000 0.265 282 T C 1.961 176.731 174.700 0.116 0.000 1.038 282 T CA 1.319 63.438 62.100 0.031 0.000 1.144 282 T CB -0.476 68.337 68.868 -0.092 0.000 0.866 282 T HN 0.462 nan 8.240 nan 0.000 0.434 283 A N 1.538 124.415 122.820 0.096 0.000 1.903 283 A HA -0.241 4.081 4.320 0.003 0.000 0.219 283 A C 2.279 179.941 177.584 0.129 0.000 1.191 283 A CA 2.296 54.443 52.037 0.184 0.000 0.638 283 A CB -0.661 18.471 19.000 0.220 0.000 0.823 283 A HN 0.411 nan 8.150 nan 0.000 0.451 284 R N -2.337 118.219 120.500 0.094 0.000 2.073 284 R HA -0.166 4.176 4.340 0.003 0.000 0.234 284 R C 2.144 178.505 176.300 0.101 0.000 1.134 284 R CA 1.890 58.039 56.100 0.081 0.000 0.952 284 R CB -0.534 29.803 30.300 0.062 0.000 0.850 284 R HN 0.679 nan 8.270 nan 0.000 0.433 285 Y N 0.597 120.900 120.300 0.005 0.000 2.145 285 Y HA -0.123 4.429 4.550 0.003 0.000 0.286 285 Y C 0.821 176.727 175.900 0.010 0.000 1.145 285 Y CA 1.201 59.302 58.100 0.001 0.000 1.148 285 Y CB -0.217 38.237 38.460 -0.011 0.000 0.981 285 Y HN -0.057 nan 8.280 nan 0.000 0.507 297 F N 0.519 120.626 119.950 0.262 0.000 2.444 297 F HA 0.662 5.190 4.527 0.003 0.000 0.342 297 F C 0.650 176.611 175.800 0.269 0.000 1.121 297 F CA 0.355 58.483 58.000 0.213 0.000 0.997 297 F CB 2.046 41.131 39.000 0.141 0.000 1.130 297 F HN 0.910 nan 8.300 nan 0.000 0.454 298 A N 5.835 128.873 122.820 0.363 0.000 2.324 298 A HA 0.835 5.157 4.320 0.003 0.000 0.330 298 A C -1.252 176.499 177.584 0.278 0.000 1.165 298 A CA -0.595 51.646 52.037 0.340 0.000 0.813 298 A CB 0.756 19.980 19.000 0.373 0.000 1.197 298 A HN 0.775 nan 8.150 nan 0.000 0.484 299 L N 1.844 123.144 121.223 0.127 0.000 2.341 299 L HA 0.449 4.791 4.340 0.003 0.000 0.278 299 L C -1.380 175.518 176.870 0.048 0.000 1.005 299 L CA -0.486 54.444 54.840 0.150 0.000 0.818 299 L CB 1.506 43.688 42.059 0.205 0.000 1.259 299 L HN 0.711 nan 8.230 nan 0.000 0.418 300 Y N 4.065 124.382 120.300 0.028 0.000 2.331 300 Y HA 0.612 5.163 4.550 0.003 0.000 0.338 300 Y C -0.254 175.496 175.900 -0.249 0.000 0.992 300 Y CA -0.384 57.696 58.100 -0.034 0.000 1.121 300 Y CB 1.666 40.041 38.460 -0.142 0.000 1.184 300 Y HN 0.342 nan 8.280 nan 0.000 0.469 301 L N 3.473 124.643 121.223 -0.088 0.000 2.455 301 L HA 0.403 4.745 4.340 0.003 0.000 0.264 301 L C -0.844 176.001 176.870 -0.042 0.000 0.968 301 L CA -0.810 53.876 54.840 -0.256 0.000 0.827 301 L CB 2.323 43.684 42.059 -1.163 0.000 1.317 301 L HN 0.662 nan 8.230 nan 0.000 0.407 302 E N 5.084 125.241 120.200 -0.071 0.000 2.344 302 E HA 0.086 4.438 4.350 0.003 0.000 0.270 302 E C -1.635 174.627 176.600 -0.564 0.000 1.021 302 E CA -1.472 54.697 56.400 -0.385 0.000 0.887 302 E CB 0.924 30.285 29.700 -0.564 0.000 0.997 302 E HN 0.350 nan 8.360 nan 0.000 0.429 303 P HA -0.135 nan 4.420 nan 0.000 0.239 303 P C 0.442 177.919 177.300 0.296 0.000 1.184 303 P CA 0.825 63.765 63.100 -0.267 0.000 0.760 303 P CB -0.076 31.133 31.700 -0.818 0.000 0.884 304 W N -1.399 120.258 121.300 0.596 0.000 3.256 304 W HA 0.161 4.823 4.660 0.002 0.000 0.269 304 W C 0.334 177.056 176.519 0.339 0.000 1.310 304 W CA -0.470 57.172 57.345 0.496 0.000 1.673 304 W CB -1.498 28.270 29.460 0.512 0.000 1.115 304 W HN -0.012 nan 8.180 nan 0.000 0.686 305 H N 1.654 120.665 119.070 -0.098 0.000 2.683 305 H HA 0.302 4.859 4.556 0.003 0.000 0.339 305 H C 1.067 176.461 175.328 0.111 0.000 1.081 305 H CA 0.920 56.939 56.048 -0.048 0.000 1.432 305 H CB 2.076 31.606 29.762 -0.387 0.000 1.462 305 H HN 0.053 nan 8.280 nan 0.000 0.557 306 A N 4.022 126.770 122.820 -0.120 0.000 2.119 306 A HA -0.094 4.227 4.320 0.003 0.000 0.217 306 A C 1.248 178.963 177.584 0.218 0.000 1.153 306 A CA 1.003 53.087 52.037 0.079 0.000 0.692 306 A CB 0.096 19.103 19.000 0.011 0.000 0.799 306 A HN 0.718 nan 8.150 nan 0.000 0.458 307 D N -0.645 119.983 120.400 0.379 0.000 2.336 307 D HA 0.076 4.718 4.640 0.003 0.000 0.228 307 D C 1.231 177.704 176.300 0.289 0.000 1.120 307 D CA -0.125 54.077 54.000 0.336 0.000 0.839 307 D CB 0.213 41.202 40.800 0.314 0.000 0.932 307 D HN 0.402 nan 8.370 nan 0.000 0.509 308 I N -0.075 120.646 120.570 0.250 0.000 2.264 308 I HA -0.253 3.918 4.170 0.003 0.000 0.248 308 I C 1.626 177.800 176.117 0.095 0.000 1.111 308 I CA 1.337 62.704 61.300 0.111 0.000 1.382 308 I CB -0.191 37.796 38.000 -0.022 0.000 1.060 308 I HN -0.136 nan 8.210 nan 0.000 0.418 309 F N 0.543 120.583 119.950 0.150 0.000 2.171 309 F HA -0.204 4.324 4.527 0.002 0.000 0.300 309 F C 2.312 178.162 175.800 0.083 0.000 1.090 309 F CA 1.663 59.731 58.000 0.114 0.000 1.293 309 F CB -0.535 38.533 39.000 0.114 0.000 1.013 309 F HN 0.108 nan 8.300 nan 0.000 0.486 310 D N -0.571 119.995 120.400 0.276 0.000 2.123 310 D HA -0.164 4.478 4.640 0.003 0.000 0.200 310 D C 2.029 178.386 176.300 0.094 0.000 0.976 310 D CA 0.831 54.925 54.000 0.158 0.000 0.831 310 D CB -0.597 40.291 40.800 0.146 0.000 0.974 310 D HN 0.170 nan 8.370 nan 0.000 0.469 311 F N 2.173 122.107 119.950 -0.026 0.000 2.091 311 F HA -0.195 4.333 4.527 0.002 0.000 0.299 311 F C 2.112 177.830 175.800 -0.137 0.000 1.103 311 F CA 1.375 59.313 58.000 -0.102 0.000 1.228 311 F CB -0.365 38.554 39.000 -0.135 0.000 0.984 311 F HN -0.011 nan 8.300 nan 0.000 0.477 312 I N -2.404 118.069 120.570 -0.162 0.000 2.830 312 I HA -0.092 4.080 4.170 0.003 0.000 0.263 312 I C 0.663 176.617 176.117 -0.273 0.000 1.230 312 I CA 1.332 62.459 61.300 -0.288 0.000 1.480 312 I CB -0.671 37.234 38.000 -0.159 0.000 1.095 312 I HN -0.012 nan 8.210 nan 0.000 0.455 313 D N 1.140 121.427 120.400 -0.188 0.000 2.340 313 D HA 0.118 4.760 4.640 0.003 0.000 0.217 313 D C 2.040 178.204 176.300 -0.227 0.000 1.081 313 D CA 0.011 53.910 54.000 -0.168 0.000 0.842 313 D CB 0.374 41.132 40.800 -0.070 0.000 0.934 313 D HN 0.240 nan 8.370 nan 0.000 0.511 314 I N 0.953 121.339 120.570 -0.306 0.000 2.290 314 I HA -0.264 3.907 4.170 0.003 0.000 0.253 314 I C 1.698 177.635 176.117 -0.300 0.000 1.112 314 I CA 1.458 62.567 61.300 -0.318 0.000 1.377 314 I CB -0.317 37.410 38.000 -0.454 0.000 1.060 314 I HN 0.012 nan 8.210 nan 0.000 0.428 315 R N -0.377 119.936 120.500 -0.312 0.000 2.509 315 R HA 0.142 4.484 4.340 0.003 0.000 0.300 315 R C 0.461 176.618 176.300 -0.238 0.000 0.985 315 R CA -0.240 55.690 56.100 -0.284 0.000 1.092 315 R CB 0.473 30.584 30.300 -0.316 0.000 1.237 315 R HN 0.239 nan 8.270 nan 0.000 0.546 316 K N 0.916 121.157 120.400 -0.266 0.000 2.382 316 K HA -0.012 4.309 4.320 0.003 0.000 0.275 316 K C 0.434 176.810 176.600 -0.374 0.000 1.009 316 K CA 0.150 56.228 56.287 -0.348 0.000 0.970 316 K CB 0.723 32.921 32.500 -0.505 0.000 0.934 316 K HN 0.096 nan 8.250 nan 0.000 0.479 317 N N 1.242 119.757 118.700 -0.308 0.000 2.109 317 N HA -0.125 4.617 4.740 0.003 0.000 0.188 317 N C -0.190 175.244 175.510 -0.126 0.000 1.034 317 N CA 0.484 53.449 53.050 -0.142 0.000 0.846 317 N CB 0.006 38.491 38.487 -0.004 0.000 1.010 317 N HN 0.533 nan 8.380 nan 0.000 0.425 318 H N -0.977 118.077 119.070 -0.026 0.000 3.253 318 H HA 0.256 4.814 4.556 0.003 0.000 0.250 318 H C 0.415 175.731 175.328 -0.020 0.000 1.051 318 H CA -0.397 55.640 56.048 -0.018 0.000 1.458 318 H CB -0.031 29.725 29.762 -0.011 0.000 1.549 318 H HN 0.096 nan 8.280 nan 0.000 0.506 319 G N 3.324 112.129 108.800 0.009 0.000 2.985 319 G HA2 0.019 3.981 3.960 0.003 0.000 0.282 319 G HA3 0.019 3.981 3.960 0.003 0.000 0.282 319 G C 0.065 174.962 174.900 -0.005 0.000 0.791 319 G CA -0.949 44.133 45.100 -0.030 0.000 1.934 319 G HN 0.521 nan 8.290 nan 0.000 0.563 320 K N 2.134 122.533 120.400 -0.002 0.000 3.256 320 K HA 0.052 4.374 4.320 0.003 0.000 0.285 320 K C 1.228 177.827 176.600 -0.003 0.000 1.086 320 K CA 0.038 56.333 56.287 0.013 0.000 1.125 320 K CB -0.321 32.196 32.500 0.028 0.000 1.292 320 K HN 0.597 nan 8.250 nan 0.000 0.312 321 E N 0.468 120.664 120.200 -0.008 0.000 3.304 321 E HA -0.326 4.026 4.350 0.003 0.000 0.365 321 E C -0.006 176.583 176.600 -0.019 0.000 1.512 321 E CA 2.133 58.527 56.400 -0.011 0.000 1.642 321 E CB -0.591 29.107 29.700 -0.003 0.000 1.738 321 E HN 0.572 nan 8.360 nan 0.000 0.483 322 E N 0.488 120.680 120.200 -0.013 0.000 2.365 322 E HA 0.179 4.531 4.350 0.003 0.000 0.188 322 E C 1.318 177.910 176.600 -0.014 0.000 1.102 322 E CA 0.256 56.647 56.400 -0.015 0.000 0.927 322 E CB -0.104 29.591 29.700 -0.008 0.000 1.073 322 E HN 0.294 nan 8.360 nan 0.000 0.467 323 I N 0.276 120.836 120.570 -0.017 0.000 3.956 323 I HA 0.073 4.245 4.170 0.003 0.000 0.333 323 I C 0.104 176.197 176.117 -0.041 0.000 1.302 323 I CA -0.026 61.266 61.300 -0.014 0.000 1.122 323 I CB 0.153 38.155 38.000 0.004 0.000 1.013 323 I HN -0.069 nan 8.210 nan 0.000 0.405 324 R N 0.638 121.100 120.500 -0.062 0.000 2.810 324 R HA 0.837 5.179 4.340 0.003 0.000 0.245 324 R C -0.522 175.717 176.300 -0.102 0.000 1.168 324 R CA -0.484 55.556 56.100 -0.100 0.000 1.096 324 R CB 1.247 31.478 30.300 -0.116 0.000 1.259 324 R HN -0.071 nan 8.270 nan 0.000 0.518 325 A N 1.599 124.336 122.820 -0.138 0.000 3.208 325 A HA 0.150 4.472 4.320 0.003 0.000 0.252 325 A C -0.512 176.962 177.584 -0.183 0.000 1.225 325 A CA -0.739 51.215 52.037 -0.138 0.000 0.980 325 A CB 0.269 19.191 19.000 -0.130 0.000 1.414 325 A HN 0.575 nan 8.150 nan 0.000 0.721 326 R N 0.920 121.317 120.500 -0.172 0.000 2.267 326 R HA 0.577 4.919 4.340 0.003 0.000 0.319 326 R C -0.786 175.407 176.300 -0.178 0.000 1.067 326 R CA 0.076 56.050 56.100 -0.209 0.000 0.936 326 R CB 0.995 31.191 30.300 -0.173 0.000 1.006 326 R HN 0.405 nan 8.270 nan 0.000 0.452 327 D N 0.855 121.108 120.400 -0.246 0.000 4.260 327 D HA -0.076 4.566 4.640 0.003 0.000 0.229 327 D C -0.603 175.600 176.300 -0.163 0.000 0.393 327 D CA 0.304 54.218 54.000 -0.144 0.000 0.659 327 D CB -0.444 40.318 40.800 -0.063 0.000 1.603 327 D HN 0.368 nan 8.370 nan 0.000 0.170 328 L N 1.125 122.203 121.223 -0.241 0.000 2.344 328 L HA 0.577 4.919 4.340 0.003 0.000 0.272 328 L C -0.288 176.309 176.870 -0.454 0.000 1.035 328 L CA -0.475 54.279 54.840 -0.142 0.000 0.807 328 L CB 0.618 42.632 42.059 -0.075 0.000 1.237 328 L HN -0.159 nan 8.230 nan 0.000 0.442 329 F N 2.134 122.038 119.950 -0.078 0.000 2.411 329 F HA 0.484 5.013 4.527 0.003 0.000 0.352 329 F C -2.056 173.476 175.800 -0.448 0.000 1.123 329 F CA -2.019 55.803 58.000 -0.297 0.000 1.044 329 F CB 1.226 40.102 39.000 -0.207 0.000 1.135 329 F HN 0.246 nan 8.300 nan 0.000 0.461 330 P HA 0.373 nan 4.420 nan 0.000 0.280 330 P C -1.242 175.699 177.300 -0.598 0.000 1.244 330 P CA -0.269 62.420 63.100 -0.685 0.000 0.784 330 P CB 1.592 32.603 31.700 -1.148 0.000 0.913 331 A N 4.325 126.930 122.820 -0.358 0.000 2.374 331 A HA 0.610 4.932 4.320 0.003 0.000 0.305 331 A C -0.570 176.940 177.584 -0.124 0.000 1.053 331 A CA -0.837 50.989 52.037 -0.353 0.000 0.726 331 A CB 0.861 19.384 19.000 -0.794 0.000 1.229 331 A HN 0.462 nan 8.150 nan 0.000 0.431 332 L N 2.092 123.309 121.223 -0.011 0.000 2.326 332 L HA 0.290 4.631 4.340 0.003 0.000 0.278 332 L C -0.192 176.808 176.870 0.216 0.000 1.092 332 L CA -0.239 54.633 54.840 0.053 0.000 0.810 332 L CB 1.139 43.148 42.059 -0.085 0.000 1.153 332 L HN 0.817 nan 8.230 nan 0.000 0.439 333 W N 6.329 127.627 121.300 -0.002 0.000 2.296 333 W HA 0.438 5.100 4.660 0.004 0.000 0.333 333 W C -0.995 175.470 176.519 -0.090 0.000 0.931 333 W CA -0.749 56.616 57.345 0.033 0.000 1.538 333 W CB 0.802 30.336 29.460 0.124 0.000 1.417 333 W HN 0.402 nan 8.180 nan 0.000 0.380 334 I N 8.039 128.484 120.570 -0.209 0.000 2.352 334 I HA 0.156 4.328 4.170 0.003 0.000 0.290 334 I C -1.603 174.416 176.117 -0.165 0.000 1.036 334 I CA -1.933 59.258 61.300 -0.183 0.000 1.336 334 I CB 1.038 38.969 38.000 -0.114 0.000 1.407 334 I HN 0.076 nan 8.210 nan 0.000 0.497 335 P HA 0.121 nan 4.420 nan 0.000 0.278 335 P C -0.281 177.022 177.300 0.004 0.000 1.238 335 P CA -0.269 62.719 63.100 -0.186 0.000 0.794 335 P CB 1.228 32.671 31.700 -0.429 0.000 0.955 336 D N 1.340 121.793 120.400 0.088 0.000 2.158 336 D HA -0.146 4.495 4.640 0.003 0.000 0.197 336 D C 1.861 178.241 176.300 0.134 0.000 0.995 336 D CA 1.024 55.154 54.000 0.217 0.000 0.846 336 D CB -0.372 40.633 40.800 0.341 0.000 0.941 336 D HN 0.328 nan 8.370 nan 0.000 0.456 337 L N -0.080 121.280 121.223 0.228 0.000 2.013 337 L HA -0.245 4.097 4.340 0.003 0.000 0.212 337 L C 2.343 179.292 176.870 0.132 0.000 1.073 337 L CA 1.275 56.282 54.840 0.277 0.000 0.753 337 L CB -0.343 42.006 42.059 0.483 0.000 0.890 337 L HN -0.001 nan 8.230 nan 0.000 0.432 338 F N 0.294 120.122 119.950 -0.204 0.000 2.063 338 F HA -0.352 4.177 4.527 0.005 0.000 0.298 338 F C 2.503 177.958 175.800 -0.575 0.000 1.109 338 F CA 1.917 59.451 58.000 -0.776 0.000 1.212 338 F CB -0.231 38.201 39.000 -0.946 0.000 0.973 338 F HN 0.058 nan 8.300 nan 0.000 0.480 339 M N 0.023 119.196 119.600 -0.711 0.000 2.175 339 M HA -0.163 4.318 4.480 0.003 0.000 0.264 339 M C 2.131 178.028 176.300 -0.672 0.000 1.063 339 M CA 1.413 56.029 55.300 -1.140 0.000 1.119 339 M CB -1.218 30.041 32.600 -2.235 0.000 1.377 339 M HN 0.163 nan 8.290 nan 0.000 0.415 340 K N -0.214 119.979 120.400 -0.346 0.000 1.991 340 K HA -0.142 4.180 4.320 0.003 0.000 0.212 340 K C 2.119 178.652 176.600 -0.111 0.000 1.049 340 K CA 1.143 57.407 56.287 -0.038 0.000 0.932 340 K CB -0.107 32.453 32.500 0.100 0.000 0.717 340 K HN 0.182 nan 8.250 nan 0.000 0.441 341 R N 0.543 120.958 120.500 -0.142 0.000 2.127 341 R HA -0.107 4.235 4.340 0.003 0.000 0.238 341 R C 2.241 178.409 176.300 -0.219 0.000 1.134 341 R CA 0.932 56.980 56.100 -0.087 0.000 0.975 341 R CB -0.728 29.616 30.300 0.073 0.000 0.865 341 R HN 0.121 nan 8.270 nan 0.000 0.447 342 V N 0.757 120.395 119.914 -0.461 0.000 2.323 342 V HA -0.182 3.940 4.120 0.003 0.000 0.244 342 V C 2.430 178.274 176.094 -0.417 0.000 1.041 342 V CA 1.704 63.689 62.300 -0.525 0.000 1.025 342 V CB -0.420 30.854 31.823 -0.915 0.000 0.656 342 V HN 0.347 nan 8.190 nan 0.000 0.451 343 E N 0.856 120.832 120.200 -0.372 0.000 2.058 343 E HA -0.269 4.083 4.350 0.003 0.000 0.194 343 E C 2.084 178.546 176.600 -0.231 0.000 0.997 343 E CA 1.655 57.814 56.400 -0.403 0.000 0.801 343 E CB -0.111 29.462 29.700 -0.211 0.000 0.746 343 E HN 0.838 nan 8.360 nan 0.000 0.450 344 E N -0.020 120.101 120.200 -0.133 0.000 2.502 344 E HA -0.117 4.235 4.350 0.003 0.000 0.194 344 E C 0.343 176.908 176.600 -0.059 0.000 1.062 344 E CA 0.493 56.850 56.400 -0.071 0.000 0.867 344 E CB -0.092 29.595 29.700 -0.021 0.000 0.888 344 E HN 0.144 nan 8.360 nan 0.000 0.510 345 N N 0.120 118.768 118.700 -0.088 0.000 2.741 345 N HA -0.132 4.609 4.740 0.003 0.000 0.250 345 N C -0.009 175.504 175.510 0.005 0.000 1.115 345 N CA 0.944 53.966 53.050 -0.047 0.000 0.724 345 N CB -1.279 37.187 38.487 -0.034 0.000 1.090 345 N HN 0.493 nan 8.380 nan 0.000 0.558 346 G N -1.453 107.360 108.800 0.021 0.000 2.630 346 G HA2 0.563 4.525 3.960 0.003 0.000 0.223 346 G HA3 0.563 4.525 3.960 0.003 0.000 0.223 346 G C 0.050 175.027 174.900 0.129 0.000 1.434 346 G CA 0.343 45.486 45.100 0.072 0.000 1.057 346 G HN 0.575 nan 8.290 nan 0.000 0.570 347 T N -3.091 111.570 114.554 0.179 0.000 2.944 347 T HA 0.554 4.905 4.350 0.003 0.000 0.284 347 T C -1.031 173.924 174.700 0.426 0.000 1.010 347 T CA -0.750 61.499 62.100 0.247 0.000 1.025 347 T CB 2.173 71.147 68.868 0.177 0.000 1.079 347 T HN 0.579 nan 8.240 nan 0.000 0.516 348 W N 1.216 122.645 121.300 0.214 0.000 2.957 348 W HA 0.428 5.088 4.660 0.001 0.000 0.336 348 W C -1.566 175.108 176.519 0.259 0.000 1.087 348 W CA -0.795 56.745 57.345 0.324 0.000 1.235 348 W CB 2.408 32.108 29.460 0.401 0.000 1.399 348 W HN 0.740 nan 8.180 nan 0.000 0.480 349 T N 6.161 120.537 114.554 -0.297 0.000 2.794 349 T HA 0.454 4.806 4.350 0.003 0.000 0.280 349 T C -0.042 174.222 174.700 -0.727 0.000 0.987 349 T CA -0.484 61.297 62.100 -0.533 0.000 0.993 349 T CB 1.271 69.681 68.868 -0.763 0.000 0.939 349 T HN 0.218 nan 8.240 nan 0.000 0.449 350 L N 4.151 125.090 121.223 -0.474 0.000 2.276 350 L HA 0.559 4.900 4.340 0.003 0.000 0.286 350 L C -0.769 175.861 176.870 -0.400 0.000 1.061 350 L CA -0.541 54.167 54.840 -0.220 0.000 0.807 350 L CB 0.300 42.385 42.059 0.043 0.000 1.177 350 L HN 0.569 nan 8.230 nan 0.000 0.429 351 F N 0.385 120.419 119.950 0.140 0.000 2.579 351 F HA 0.415 4.943 4.527 0.003 0.000 0.324 351 F C 0.499 176.323 175.800 0.040 0.000 1.058 351 F CA -0.780 57.241 58.000 0.036 0.000 0.944 351 F CB 2.042 40.993 39.000 -0.081 0.000 1.245 351 F HN 0.305 nan 8.300 nan 0.000 0.477 352 S N 2.662 118.469 115.700 0.178 0.000 2.525 352 S HA 0.318 4.790 4.470 0.003 0.000 0.278 352 S C -1.577 173.102 174.600 0.131 0.000 1.234 352 S CA -1.743 56.497 58.200 0.066 0.000 1.058 352 S CB 1.076 64.301 63.200 0.043 0.000 0.983 352 S HN 0.394 nan 8.310 nan 0.000 0.495 353 P HA -0.096 nan 4.420 nan 0.000 0.221 353 P C 1.288 178.616 177.300 0.046 0.000 1.145 353 P CA 1.248 64.465 63.100 0.195 0.000 0.795 353 P CB -0.506 31.410 31.700 0.361 0.000 0.775 354 T N -4.190 110.393 114.554 0.048 0.000 3.023 354 T HA 0.051 4.403 4.350 0.003 0.000 0.266 354 T C 1.839 176.506 174.700 -0.055 0.000 1.093 354 T CA 0.865 62.974 62.100 0.016 0.000 1.129 354 T CB -0.803 68.100 68.868 0.058 0.000 0.899 354 T HN -0.003 nan 8.240 nan 0.000 0.491 355 S N 1.119 116.768 115.700 -0.086 0.000 2.503 355 S HA 0.574 5.045 4.470 0.003 0.000 0.217 355 S C 1.099 175.430 174.600 -0.448 0.000 0.999 355 S CA 0.108 58.208 58.200 -0.166 0.000 0.914 355 S CB 0.244 63.404 63.200 -0.066 0.000 0.782 355 S HN 0.750 nan 8.310 nan 0.000 0.520 356 A N 2.651 125.115 122.820 -0.594 0.000 3.370 356 A HA 0.509 4.830 4.320 0.003 0.000 0.295 356 A C -3.061 174.079 177.584 -0.741 0.000 1.030 356 A CA -1.304 49.939 52.037 -1.323 0.000 0.883 356 A CB 0.414 18.424 19.000 -1.649 0.000 1.191 356 A HN 0.085 nan 8.150 nan 0.000 0.507 357 P HA 0.439 nan 4.420 nan 0.000 0.275 357 P C 0.950 178.283 177.300 0.055 0.000 1.228 357 P CA 1.395 64.443 63.100 -0.086 0.000 0.786 357 P CB 1.349 33.033 31.700 -0.027 0.000 0.927 358 G N 1.154 110.005 108.800 0.086 0.000 2.179 358 G HA2 -0.238 3.724 3.960 0.003 0.000 0.220 358 G HA3 -0.238 3.724 3.960 0.003 0.000 0.220 358 G C 0.640 175.621 174.900 0.136 0.000 0.990 358 G CA -0.086 45.085 45.100 0.118 0.000 0.646 358 G HN 0.433 nan 8.290 nan 0.000 0.517 359 L N 2.055 123.329 121.223 0.084 0.000 2.191 359 L HA 0.107 4.448 4.340 0.003 0.000 0.212 359 L C 2.834 179.929 176.870 0.374 0.000 1.103 359 L CA 2.840 57.756 54.840 0.126 0.000 0.769 359 L CB -0.625 41.168 42.059 -0.442 0.000 0.908 359 L HN 0.759 nan 8.230 nan 0.000 0.438 360 S N -3.286 112.639 115.700 0.375 0.000 2.535 360 S HA 0.043 4.515 4.470 0.003 0.000 0.214 360 S C 1.130 175.889 174.600 0.264 0.000 0.980 360 S CA -0.107 58.299 58.200 0.342 0.000 0.907 360 S CB -0.052 63.358 63.200 0.351 0.000 0.790 360 S HN 0.327 nan 8.310 nan 0.000 0.510 361 D N 1.869 122.418 120.400 0.248 0.000 2.395 361 D HA 0.282 4.924 4.640 0.003 0.000 0.226 361 D C 0.321 176.751 176.300 0.218 0.000 1.146 361 D CA 0.142 54.273 54.000 0.219 0.000 0.830 361 D CB 0.577 41.486 40.800 0.182 0.000 0.958 361 D HN 0.595 nan 8.370 nan 0.000 0.501 362 C N -0.988 118.469 119.300 0.261 0.000 3.332 362 C HA 0.841 5.303 4.460 0.003 0.000 0.329 362 C C -0.907 174.289 174.990 0.345 0.000 1.434 362 C CA -1.251 57.919 59.018 0.255 0.000 1.314 362 C CB 1.117 28.947 27.740 0.150 0.000 1.664 362 C HN 0.270 nan 8.230 nan 0.000 0.457 363 Y N -0.984 119.391 120.300 0.125 0.000 2.744 363 Y HA 0.826 5.378 4.550 0.003 0.000 0.330 363 Y C 0.711 176.673 175.900 0.103 0.000 1.263 363 Y CA -0.074 58.062 58.100 0.060 0.000 1.065 363 Y CB 0.373 38.822 38.460 -0.018 0.000 1.306 363 Y HN 2.196 nan 8.280 nan 0.000 0.459 364 G N 1.187 110.049 108.800 0.103 0.000 2.672 364 G HA2 -0.388 3.574 3.960 0.003 0.000 0.324 364 G HA3 -0.388 3.574 3.960 0.003 0.000 0.324 364 G C 0.355 175.292 174.900 0.062 0.000 1.286 364 G CA 1.180 46.299 45.100 0.033 0.000 1.004 364 G HN 0.830 nan 8.290 nan 0.000 0.548 365 D N 0.373 120.750 120.400 -0.038 0.000 2.183 365 D HA -0.004 4.638 4.640 0.003 0.000 0.203 365 D C 2.147 178.431 176.300 -0.028 0.000 0.969 365 D CA 1.320 55.311 54.000 -0.015 0.000 0.842 365 D CB -0.277 40.495 40.800 -0.047 0.000 0.957 365 D HN 0.655 nan 8.370 nan 0.000 0.484 366 E N -0.296 119.861 120.200 -0.072 0.000 2.106 366 E HA -0.158 4.193 4.350 0.003 0.000 0.192 366 E C 1.934 178.526 176.600 -0.014 0.000 0.984 366 E CA 0.351 56.710 56.400 -0.070 0.000 0.806 366 E CB -0.100 29.537 29.700 -0.104 0.000 0.750 366 E HN 0.236 nan 8.360 nan 0.000 0.458 367 F N 1.979 121.886 119.950 -0.071 0.000 2.075 367 F HA -0.179 4.350 4.527 0.003 0.000 0.297 367 F C 2.038 177.846 175.800 0.014 0.000 1.113 367 F CA 1.834 59.826 58.000 -0.013 0.000 1.218 367 F CB -0.099 38.931 39.000 0.050 0.000 0.984 367 F HN -0.020 nan 8.300 nan 0.000 0.472 368 E N 0.657 120.861 120.200 0.006 0.000 2.070 368 E HA -0.303 4.048 4.350 0.003 0.000 0.197 368 E C 2.380 178.900 176.600 -0.134 0.000 1.004 368 E CA 1.279 57.640 56.400 -0.066 0.000 0.805 368 E CB -0.620 29.135 29.700 0.092 0.000 0.744 368 E HN 0.569 nan 8.360 nan 0.000 0.451 369 A N 1.291 124.037 122.820 -0.123 0.000 1.877 369 A HA -0.184 4.137 4.320 0.003 0.000 0.216 369 A C 2.208 179.632 177.584 -0.267 0.000 1.186 369 A CA 1.297 53.242 52.037 -0.154 0.000 0.620 369 A CB -0.616 18.308 19.000 -0.127 0.000 0.822 369 A HN 0.209 nan 8.150 nan 0.000 0.443 370 L N -1.969 119.044 121.223 -0.351 0.000 2.056 370 L HA -0.090 4.252 4.340 0.003 0.000 0.207 370 L C 2.302 178.716 176.870 -0.760 0.000 1.078 370 L CA 2.125 56.617 54.840 -0.581 0.000 0.749 370 L CB -0.808 40.956 42.059 -0.492 0.000 0.901 370 L HN 0.520 nan 8.230 nan 0.000 0.433 371 Y N 0.041 119.876 120.300 -0.774 0.000 2.097 371 Y HA -0.301 4.250 4.550 0.002 0.000 0.282 371 Y C 2.481 178.172 175.900 -0.349 0.000 1.152 371 Y CA 2.511 60.196 58.100 -0.690 0.000 1.136 371 Y CB -0.681 37.159 38.460 -1.032 0.000 0.975 371 Y HN 0.189 nan 8.280 nan 0.000 0.498 372 T N 0.927 115.386 114.554 -0.159 0.000 2.720 372 T HA -0.263 4.089 4.350 0.003 0.000 0.268 372 T C 1.986 176.591 174.700 -0.158 0.000 1.037 372 T CA 1.807 63.850 62.100 -0.095 0.000 1.144 372 T CB -0.370 68.478 68.868 -0.034 0.000 0.864 372 T HN 0.350 nan 8.240 nan 0.000 0.444 373 R N -0.183 120.169 120.500 -0.247 0.000 2.081 373 R HA -0.096 4.246 4.340 0.003 0.000 0.235 373 R C 2.194 178.403 176.300 -0.152 0.000 1.131 373 R CA 1.493 57.459 56.100 -0.223 0.000 0.960 373 R CB -0.470 29.641 30.300 -0.315 0.000 0.856 373 R HN 0.551 nan 8.270 nan 0.000 0.436 374 Y N 0.596 120.719 120.300 -0.296 0.000 2.181 374 Y HA -0.193 4.358 4.550 0.002 0.000 0.288 374 Y C 2.458 178.298 175.900 -0.099 0.000 1.146 374 Y CA 1.039 58.936 58.100 -0.340 0.000 1.164 374 Y CB 0.007 37.951 38.460 -0.859 0.000 0.982 374 Y HN 0.274 nan 8.280 nan 0.000 0.515 375 E N 0.489 120.721 120.200 0.053 0.000 2.118 375 E HA -0.215 4.137 4.350 0.003 0.000 0.195 375 E C 1.915 178.517 176.600 0.003 0.000 0.992 375 E CA 1.205 57.614 56.400 0.015 0.000 0.804 375 E CB -0.095 29.549 29.700 -0.093 0.000 0.741 375 E HN 0.497 nan 8.360 nan 0.000 0.458 376 K N 0.521 120.915 120.400 -0.009 0.000 2.228 376 K HA -0.066 4.256 4.320 0.003 0.000 0.202 376 K C 1.437 178.038 176.600 0.001 0.000 1.051 376 K CA 0.641 56.922 56.287 -0.009 0.000 0.960 376 K CB 0.104 32.591 32.500 -0.021 0.000 0.743 376 K HN 0.093 nan 8.250 nan 0.000 0.458 377 E N 0.472 120.682 120.200 0.017 0.000 2.463 377 E HA 0.017 4.369 4.350 0.003 0.000 0.191 377 E C 0.315 176.927 176.600 0.021 0.000 1.083 377 E CA -0.056 56.356 56.400 0.020 0.000 0.872 377 E CB 0.120 29.842 29.700 0.037 0.000 0.966 377 E HN 0.375 nan 8.360 nan 0.000 0.491 378 G N 2.185 110.998 108.800 0.022 0.000 2.393 378 G HA2 -0.362 3.600 3.960 0.003 0.000 0.299 378 G HA3 -0.362 3.600 3.960 0.003 0.000 0.299 378 G C 0.633 175.545 174.900 0.021 0.000 0.990 378 G CA 0.511 45.617 45.100 0.009 0.000 1.118 378 G HN 0.325 nan 8.290 nan 0.000 0.513 379 R N -0.604 119.945 120.500 0.082 0.000 2.276 379 R HA 0.305 4.646 4.340 0.003 0.000 0.196 379 R C 1.730 178.108 176.300 0.131 0.000 0.961 379 R CA 0.837 56.992 56.100 0.093 0.000 1.024 379 R CB 0.381 30.698 30.300 0.029 0.000 0.940 379 R HN 0.538 nan 8.270 nan 0.000 0.480 380 G N 0.046 108.841 108.800 -0.008 0.000 3.135 380 G HA2 0.301 4.262 3.960 0.003 0.000 0.278 380 G HA3 0.301 4.262 3.960 0.003 0.000 0.278 380 G C -1.554 173.204 174.900 -0.237 0.000 1.302 380 G CA -0.569 44.375 45.100 -0.260 0.000 0.880 380 G HN -0.032 nan 8.290 nan 0.000 0.574 381 K N 0.477 120.715 120.400 -0.271 0.000 2.450 381 K HA 0.528 4.850 4.320 0.003 0.000 0.257 381 K C -0.882 175.642 176.600 -0.126 0.000 0.953 381 K CA -0.341 55.865 56.287 -0.136 0.000 0.844 381 K CB 1.337 33.804 32.500 -0.055 0.000 1.103 381 K HN 0.346 nan 8.250 nan 0.000 0.429 382 T N 4.922 119.429 114.554 -0.077 0.000 2.869 382 T HA 0.303 4.654 4.350 0.003 0.000 0.295 382 T C -0.318 174.425 174.700 0.071 0.000 0.987 382 T CA -0.299 61.792 62.100 -0.016 0.000 1.109 382 T CB 0.551 69.411 68.868 -0.013 0.000 0.932 382 T HN 0.543 nan 8.240 nan 0.000 0.518 383 I N 1.632 122.298 120.570 0.159 0.000 3.516 383 I HA 0.485 4.656 4.170 0.003 0.000 0.307 383 I C -1.191 175.071 176.117 0.242 0.000 1.157 383 I CA -1.622 59.797 61.300 0.199 0.000 0.983 383 I CB 1.796 39.949 38.000 0.254 0.000 1.351 383 I HN 0.224 nan 8.210 nan 0.000 0.484 384 K N 2.008 122.546 120.400 0.231 0.000 2.297 384 K HA 0.426 4.748 4.320 0.003 0.000 0.286 384 K C 0.749 177.528 176.600 0.297 0.000 1.053 384 K CA 0.351 56.770 56.287 0.219 0.000 0.940 384 K CB 0.897 33.494 32.500 0.161 0.000 1.019 384 K HN 0.658 nan 8.250 nan 0.000 0.475 385 A N 3.907 126.895 122.820 0.281 0.000 1.927 385 A HA -0.265 4.056 4.320 0.003 0.000 0.220 385 A C 1.865 179.563 177.584 0.190 0.000 1.185 385 A CA 1.720 53.897 52.037 0.233 0.000 0.639 385 A CB -0.295 18.721 19.000 0.026 0.000 0.820 385 A HN 0.817 nan 8.150 nan 0.000 0.451 386 Q N -1.179 118.721 119.800 0.167 0.000 2.369 386 Q HA -0.124 4.218 4.340 0.003 0.000 0.206 386 Q C 2.081 178.300 176.000 0.365 0.000 0.963 386 Q CA 1.269 57.215 55.803 0.239 0.000 0.894 386 Q CB -0.075 28.752 28.738 0.149 0.000 0.965 386 Q HN 0.771 nan 8.270 nan 0.000 0.475 387 K N 0.931 121.537 120.400 0.344 0.000 2.026 387 K HA -0.138 4.184 4.320 0.003 0.000 0.208 387 K C 1.976 178.910 176.600 0.557 0.000 1.048 387 K CA 0.807 57.337 56.287 0.406 0.000 0.929 387 K CB -0.075 32.647 32.500 0.371 0.000 0.713 387 K HN 0.185 nan 8.250 nan 0.000 0.439 388 L N 0.510 122.045 121.223 0.521 0.000 2.017 388 L HA -0.223 4.119 4.340 0.003 0.000 0.208 388 L C 2.338 179.384 176.870 0.293 0.000 1.073 388 L CA 1.540 56.521 54.840 0.235 0.000 0.745 388 L CB -0.540 41.625 42.059 0.176 0.000 0.894 388 L HN 0.586 nan 8.230 nan 0.000 0.432 389 W N -0.019 121.423 121.300 0.236 0.000 2.301 389 W HA -0.389 4.274 4.660 0.004 0.000 0.325 389 W C 2.585 179.204 176.519 0.168 0.000 1.250 389 W CA 2.294 59.746 57.345 0.179 0.000 1.261 389 W CB -0.944 28.566 29.460 0.083 0.000 1.157 389 W HN 0.278 nan 8.180 nan 0.000 0.473 390 Y N 1.749 122.174 120.300 0.208 0.000 2.069 390 Y HA -0.362 4.190 4.550 0.003 0.000 0.278 390 Y C 2.877 178.793 175.900 0.025 0.000 1.175 390 Y CA 3.283 61.441 58.100 0.097 0.000 1.134 390 Y CB -0.899 37.666 38.460 0.176 0.000 0.965 390 Y HN -0.177 nan 8.280 nan 0.000 0.498 391 S N 0.325 116.159 115.700 0.223 0.000 2.383 391 S HA -0.185 4.287 4.470 0.003 0.000 0.229 391 S C 1.875 176.410 174.600 -0.107 0.000 1.030 391 S CA 1.361 59.637 58.200 0.126 0.000 1.002 391 S CB -0.413 62.998 63.200 0.353 0.000 0.829 391 S HN 0.427 nan 8.310 nan 0.000 0.467 392 I N 1.728 122.176 120.570 -0.203 0.000 2.127 392 I HA -0.153 4.019 4.170 0.003 0.000 0.241 392 I C 2.140 178.042 176.117 -0.359 0.000 1.075 392 I CA 1.437 62.549 61.300 -0.314 0.000 1.334 392 I CB -1.536 36.202 38.000 -0.437 0.000 1.040 392 I HN 0.308 nan 8.210 nan 0.000 0.405 393 L N 0.121 121.058 121.223 -0.476 0.000 2.156 393 L HA -0.142 4.200 4.340 0.003 0.000 0.208 393 L C 2.522 179.216 176.870 -0.293 0.000 1.095 393 L CA 1.036 55.644 54.840 -0.386 0.000 0.770 393 L CB -0.673 41.135 42.059 -0.419 0.000 0.914 393 L HN 0.356 nan 8.230 nan 0.000 0.439 394 E N 0.988 120.969 120.200 -0.365 0.000 2.058 394 E HA -0.246 4.106 4.350 0.003 0.000 0.194 394 E C 2.253 178.770 176.600 -0.138 0.000 0.997 394 E CA 1.375 57.619 56.400 -0.260 0.000 0.801 394 E CB 0.065 29.596 29.700 -0.282 0.000 0.746 394 E HN 0.447 nan 8.360 nan 0.000 0.450 395 A N 0.780 123.515 122.820 -0.141 0.000 1.902 395 A HA -0.241 4.081 4.320 0.003 0.000 0.217 395 A C 2.072 179.587 177.584 -0.114 0.000 1.181 395 A CA 1.646 53.611 52.037 -0.119 0.000 0.623 395 A CB -0.505 18.404 19.000 -0.152 0.000 0.818 395 A HN 0.333 nan 8.150 nan 0.000 0.443 396 Q N -0.949 118.777 119.800 -0.123 0.000 2.016 396 Q HA -0.122 4.220 4.340 0.003 0.000 0.200 396 Q C 2.186 178.164 176.000 -0.036 0.000 0.978 396 Q CA 1.883 57.642 55.803 -0.073 0.000 0.833 396 Q CB -0.553 28.154 28.738 -0.052 0.000 0.895 396 Q HN 0.627 nan 8.270 nan 0.000 0.427 397 T N 1.022 115.547 114.554 -0.049 0.000 2.737 397 T HA -0.237 4.115 4.350 0.003 0.000 0.269 397 T C 1.684 176.379 174.700 -0.009 0.000 1.040 397 T CA 1.838 63.924 62.100 -0.023 0.000 1.142 397 T CB -0.140 68.702 68.868 -0.042 0.000 0.861 397 T HN 0.448 nan 8.240 nan 0.000 0.456 398 E N 0.336 120.525 120.200 -0.019 0.000 2.166 398 E HA -0.060 4.292 4.350 0.003 0.000 0.192 398 E C 2.118 178.714 176.600 -0.006 0.000 0.967 398 E CA 1.224 57.623 56.400 -0.001 0.000 0.840 398 E CB 0.207 29.917 29.700 0.018 0.000 0.795 398 E HN 0.574 nan 8.360 nan 0.000 0.470 399 T N -4.212 110.327 114.554 -0.026 0.000 2.985 399 T HA 0.357 4.709 4.350 0.003 0.000 0.254 399 T C 1.483 176.204 174.700 0.034 0.000 1.021 399 T CA 0.603 62.688 62.100 -0.025 0.000 0.957 399 T CB 0.862 69.674 68.868 -0.092 0.000 1.047 399 T HN 0.339 nan 8.240 nan 0.000 0.511 400 G N 1.537 110.361 108.800 0.040 0.000 2.205 400 G HA2 -0.225 3.737 3.960 0.003 0.000 0.261 400 G HA3 -0.225 3.737 3.960 0.003 0.000 0.261 400 G C 0.309 175.255 174.900 0.077 0.000 0.980 400 G CA 0.733 45.902 45.100 0.115 0.000 0.632 400 G HN 1.360 nan 8.290 nan 0.000 0.533 401 T N -1.546 112.969 114.554 -0.065 0.000 2.916 401 T HA 0.789 5.141 4.350 0.003 0.000 0.292 401 T C -3.153 171.397 174.700 -0.250 0.000 1.064 401 T CA -1.607 60.337 62.100 -0.260 0.000 1.011 401 T CB 3.684 72.293 68.868 -0.433 0.000 1.152 401 T HN 0.102 nan 8.240 nan 0.000 0.510 402 P HA 0.338 nan 4.420 nan 0.000 0.276 402 P C -0.403 176.759 177.300 -0.229 0.000 1.244 402 P CA -0.742 62.122 63.100 -0.394 0.000 0.801 402 P CB 0.389 31.896 31.700 -0.321 0.000 1.006 403 F N -0.333 119.520 119.950 -0.162 0.000 2.539 403 F HA 0.178 4.707 4.527 0.003 0.000 0.340 403 F C 0.940 176.673 175.800 -0.112 0.000 1.185 403 F CA -0.492 57.436 58.000 -0.118 0.000 1.333 403 F CB 0.265 39.211 39.000 -0.090 0.000 1.152 403 F HN -0.053 nan 8.300 nan 0.000 0.602 404 V N 3.021 123.002 119.914 0.111 0.000 2.376 404 V HA 0.380 4.501 4.120 0.003 0.000 0.287 404 V C -0.603 175.376 176.094 -0.192 0.000 1.015 404 V CA -0.613 61.620 62.300 -0.113 0.000 0.834 404 V CB 1.508 33.219 31.823 -0.187 0.000 1.001 404 V HN 0.487 nan 8.190 nan 0.000 0.428 405 V N 5.167 124.972 119.914 -0.182 0.000 2.531 405 V HA 0.421 4.543 4.120 0.003 0.000 0.301 405 V C -0.960 174.894 176.094 -0.399 0.000 1.034 405 V CA -0.908 61.309 62.300 -0.137 0.000 0.865 405 V CB 1.837 33.847 31.823 0.312 0.000 0.995 405 V HN 0.757 nan 8.190 nan 0.000 0.424 406 Y N 3.817 124.043 120.300 -0.123 0.000 2.624 406 Y HA 0.139 4.691 4.550 0.003 0.000 0.354 406 Y C 1.623 177.190 175.900 -0.555 0.000 1.051 406 Y CA 0.018 57.971 58.100 -0.246 0.000 1.377 406 Y CB 0.547 38.987 38.460 -0.033 0.000 1.168 406 Y HN 0.706 nan 8.280 nan 0.000 0.525 407 K N 1.785 121.688 120.400 -0.828 0.000 2.089 407 K HA -0.282 4.040 4.320 0.003 0.000 0.210 407 K C 0.719 176.963 176.600 -0.594 0.000 1.048 407 K CA 2.392 57.913 56.287 -1.276 0.000 0.926 407 K CB 0.107 31.854 32.500 -1.255 0.000 0.714 407 K HN 0.680 nan 8.250 nan 0.000 0.448 408 D N 0.065 120.290 120.400 -0.291 0.000 2.120 408 D HA -0.064 4.577 4.640 0.003 0.000 0.202 408 D C 1.938 178.147 176.300 -0.153 0.000 0.972 408 D CA 1.242 55.177 54.000 -0.108 0.000 0.837 408 D CB -0.326 40.492 40.800 0.031 0.000 0.989 408 D HN 0.376 nan 8.370 nan 0.000 0.469 409 A N 0.812 123.539 122.820 -0.155 0.000 1.917 409 A HA -0.241 4.081 4.320 0.003 0.000 0.219 409 A C 2.555 180.011 177.584 -0.213 0.000 1.182 409 A CA 1.571 53.483 52.037 -0.209 0.000 0.633 409 A CB -1.078 17.831 19.000 -0.151 0.000 0.819 409 A HN 0.347 nan 8.150 nan 0.000 0.448 410 C N -0.704 118.467 119.300 -0.214 0.000 2.446 410 C HA -0.053 4.408 4.460 0.003 0.000 0.277 410 C C 2.678 177.557 174.990 -0.185 0.000 1.275 410 C CA 1.140 60.066 59.018 -0.153 0.000 1.727 410 C CB -1.333 26.325 27.740 -0.137 0.000 2.010 410 C HN 0.648 nan 8.230 nan 0.000 0.486 411 N N -0.116 118.375 118.700 -0.347 0.000 2.336 411 N HA -0.018 4.723 4.740 0.003 0.000 0.177 411 N C 1.995 177.181 175.510 -0.539 0.000 1.018 411 N CA 0.456 53.167 53.050 -0.563 0.000 0.878 411 N CB -0.364 37.430 38.487 -1.156 0.000 0.997 411 N HN 0.525 nan 8.380 nan 0.000 0.433 412 R N 1.393 121.678 120.500 -0.357 0.000 2.115 412 R HA 0.031 4.372 4.340 0.003 0.000 0.226 412 R C 0.411 176.641 176.300 -0.116 0.000 1.100 412 R CA 1.099 57.156 56.100 -0.072 0.000 0.980 412 R CB 0.213 30.522 30.300 0.014 0.000 0.875 412 R HN -0.021 nan 8.270 nan 0.000 0.445 413 K N -0.092 120.204 120.400 -0.173 0.000 2.681 413 K HA 0.136 4.458 4.320 0.003 0.000 0.211 413 K C -0.674 175.885 176.600 -0.069 0.000 1.075 413 K CA -0.203 55.996 56.287 -0.146 0.000 1.141 413 K CB 1.310 33.652 32.500 -0.265 0.000 0.896 413 K HN -0.105 nan 8.250 nan 0.000 0.470 414 S N 0.202 115.857 115.700 -0.074 0.000 2.451 414 S HA 0.157 4.628 4.470 0.003 0.000 0.301 414 S C 0.612 175.201 174.600 -0.019 0.000 1.116 414 S CA -0.723 57.455 58.200 -0.037 0.000 1.093 414 S CB 0.984 64.155 63.200 -0.048 0.000 1.017 414 S HN 0.292 nan 8.310 nan 0.000 0.482 415 N N 3.412 122.119 118.700 0.013 0.000 2.520 415 N HA -0.025 4.717 4.740 0.003 0.000 0.185 415 N C 1.290 176.819 175.510 0.032 0.000 1.068 415 N CA 1.108 54.181 53.050 0.040 0.000 0.911 415 N CB 0.060 38.603 38.487 0.094 0.000 0.961 415 N HN 0.690 nan 8.380 nan 0.000 0.446 416 Q N -0.423 119.374 119.800 -0.006 0.000 2.320 416 Q HA 0.001 4.343 4.340 0.003 0.000 0.201 416 Q C 1.301 177.248 176.000 -0.088 0.000 0.910 416 Q CA -0.019 55.755 55.803 -0.048 0.000 0.946 416 Q CB 0.237 28.934 28.738 -0.069 0.000 1.062 416 Q HN 0.541 nan 8.270 nan 0.000 0.503 417 K N 0.752 121.115 120.400 -0.061 0.000 2.211 417 K HA -0.170 4.152 4.320 0.003 0.000 0.204 417 K C 1.300 177.861 176.600 -0.064 0.000 1.047 417 K CA 1.629 57.880 56.287 -0.061 0.000 0.935 417 K CB -0.169 32.315 32.500 -0.026 0.000 0.728 417 K HN 0.134 nan 8.250 nan 0.000 0.452 418 N N 1.930 120.588 118.700 -0.069 0.000 2.453 418 N HA -0.158 4.583 4.740 0.003 0.000 0.183 418 N C 1.584 177.011 175.510 -0.139 0.000 1.041 418 N CA 1.019 54.023 53.050 -0.076 0.000 0.900 418 N CB -0.372 38.080 38.487 -0.059 0.000 0.961 418 N HN 0.365 nan 8.380 nan 0.000 0.443 419 L N -1.026 120.042 121.223 -0.258 0.000 2.179 419 L HA 0.218 4.560 4.340 0.003 0.000 0.208 419 L C 1.463 177.941 176.870 -0.655 0.000 1.096 419 L CA 0.768 55.298 54.840 -0.517 0.000 0.779 419 L CB -0.660 40.893 42.059 -0.843 0.000 0.922 419 L HN 0.464 nan 8.230 nan 0.000 0.443 420 G N -0.912 107.632 108.800 -0.427 0.000 2.325 420 G HA2 0.018 3.980 3.960 0.003 0.000 0.285 420 G HA3 0.018 3.980 3.960 0.003 0.000 0.285 420 G C -1.418 173.484 174.900 0.005 0.000 1.303 420 G CA -0.748 44.245 45.100 -0.178 0.000 0.970 420 G HN -0.258 nan 8.290 nan 0.000 0.490 421 V N 1.002 121.049 119.914 0.222 0.000 2.465 421 V HA 0.476 4.598 4.120 0.003 0.000 0.279 421 V C 0.785 177.052 176.094 0.288 0.000 1.045 421 V CA -0.375 62.058 62.300 0.222 0.000 0.938 421 V CB 1.189 33.163 31.823 0.253 0.000 0.986 421 V HN 0.572 nan 8.190 nan 0.000 0.467 422 I N 5.134 125.831 120.570 0.211 0.000 2.416 422 I HA 0.263 4.435 4.170 0.003 0.000 0.288 422 I C 0.995 177.193 176.117 0.135 0.000 1.051 422 I CA 0.076 61.478 61.300 0.171 0.000 1.375 422 I CB 0.763 38.869 38.000 0.175 0.000 1.407 422 I HN 0.656 nan 8.210 nan 0.000 0.516 423 K N 3.808 124.001 120.400 -0.345 0.000 2.374 423 K HA 0.186 4.507 4.320 0.003 0.000 0.202 423 K C 0.039 175.699 176.600 -1.567 0.000 1.040 423 K CA 0.033 55.852 56.287 -0.780 0.000 1.085 423 K CB 0.589 32.481 32.500 -1.013 0.000 0.873 423 K HN 0.796 nan 8.250 nan 0.000 0.539 424 S N -1.728 113.043 115.700 -1.549 0.000 2.661 424 S HA 0.412 4.883 4.470 0.003 0.000 0.268 424 S C -0.604 173.193 174.600 -1.339 0.000 1.162 424 S CA -0.854 56.212 58.200 -1.890 0.000 0.817 424 S CB 1.795 64.289 63.200 -1.176 0.000 1.141 424 S HN -0.066 nan 8.310 nan 0.000 0.477 425 S N 0.251 115.091 115.700 -1.432 0.000 2.702 425 S HA 0.669 5.141 4.470 0.003 0.000 0.272 425 S C -0.598 173.690 174.600 -0.520 0.000 1.068 425 S CA -0.444 57.407 58.200 -0.582 0.000 0.964 425 S CB 0.380 63.535 63.200 -0.074 0.000 1.307 425 S HN 1.018 nan 8.310 nan 0.000 0.567 426 N N 0.265 118.901 118.700 -0.105 0.000 2.906 426 N HA 0.202 4.943 4.740 0.003 0.000 0.327 426 N C 0.898 176.513 175.510 0.175 0.000 1.344 426 N CA -0.640 52.417 53.050 0.011 0.000 0.823 426 N CB -0.212 38.245 38.487 -0.049 0.000 1.351 426 N HN 0.469 nan 8.380 nan 0.000 0.604 427 L N 0.594 121.884 121.223 0.111 0.000 2.021 427 L HA -0.100 4.241 4.340 0.003 0.000 0.215 427 L C 1.701 178.539 176.870 -0.053 0.000 1.074 427 L CA 1.835 56.741 54.840 0.110 0.000 0.760 427 L CB -1.159 40.940 42.059 0.068 0.000 0.889 427 L HN 0.737 nan 8.230 nan 0.000 0.433 428 C N -1.917 117.247 119.300 -0.227 0.000 2.791 428 C HA 0.235 4.697 4.460 0.003 0.000 0.270 428 C C 1.489 175.959 174.990 -0.866 0.000 1.257 428 C CA 0.033 58.642 59.018 -0.682 0.000 1.699 428 C CB -1.726 25.743 27.740 -0.451 0.000 1.904 428 C HN 0.782 nan 8.230 nan 0.000 0.603 429 C N 2.078 121.149 119.300 -0.382 0.000 4.550 429 C HA -0.114 4.348 4.460 0.003 0.000 0.282 429 C C 1.807 176.715 174.990 -0.136 0.000 1.290 429 C CA 1.285 60.180 59.018 -0.205 0.000 1.964 429 C CB -2.643 24.928 27.740 -0.280 0.000 1.284 429 C HN 0.812 nan 8.230 nan 0.000 0.758 430 E N -0.092 120.041 120.200 -0.112 0.000 2.399 430 E HA 0.129 4.481 4.350 0.003 0.000 0.205 430 E C 0.532 177.131 176.600 -0.002 0.000 0.906 430 E CA 0.326 56.711 56.400 -0.025 0.000 0.998 430 E CB 0.141 29.845 29.700 0.008 0.000 1.002 430 E HN 0.606 nan 8.360 nan 0.000 0.501 431 I N 2.907 123.460 120.570 -0.028 0.000 2.416 431 I HA 0.138 4.309 4.170 0.003 0.000 0.288 431 I C -0.153 175.953 176.117 -0.018 0.000 1.051 431 I CA -0.562 60.722 61.300 -0.027 0.000 1.375 431 I CB 1.349 39.316 38.000 -0.054 0.000 1.407 431 I HN -0.126 nan 8.210 nan 0.000 0.516 432 V N 7.131 127.050 119.914 0.007 0.000 2.320 432 V HA 0.381 4.503 4.120 0.003 0.000 0.268 432 V C -0.158 175.948 176.094 0.019 0.000 1.021 432 V CA -0.506 61.814 62.300 0.033 0.000 0.813 432 V CB 0.820 32.691 31.823 0.081 0.000 1.054 432 V HN 0.732 nan 8.190 nan 0.000 0.444 433 E N 1.847 122.043 120.200 -0.006 0.000 2.340 433 E HA 0.428 4.780 4.350 0.003 0.000 0.273 433 E C -1.582 175.032 176.600 0.023 0.000 0.891 433 E CA -0.986 55.422 56.400 0.012 0.000 0.757 433 E CB 3.021 32.722 29.700 0.003 0.000 1.231 433 E HN 0.535 nan 8.360 nan 0.000 0.439 434 Y N 2.178 122.432 120.300 -0.077 0.000 2.411 434 Y HA 0.261 4.812 4.550 0.003 0.000 0.333 434 Y C -0.346 175.546 175.900 -0.014 0.000 1.186 434 Y CA 0.087 58.146 58.100 -0.068 0.000 1.381 434 Y CB 0.640 39.026 38.460 -0.123 0.000 1.273 434 Y HN 0.474 nan 8.280 nan 0.000 0.546 435 S N 3.802 119.034 115.700 -0.780 0.000 2.588 435 S HA 0.994 5.465 4.470 0.003 0.000 0.275 435 S C -1.140 173.013 174.600 -0.746 0.000 1.130 435 S CA -0.441 57.408 58.200 -0.584 0.000 0.855 435 S CB 1.725 64.814 63.200 -0.184 0.000 1.116 435 S HN 1.272 nan 8.310 nan 0.000 0.472 436 A N 0.628 123.234 122.820 -0.358 0.000 2.599 436 A HA 0.860 5.181 4.320 0.003 0.000 0.290 436 A C -2.764 174.790 177.584 -0.049 0.000 1.101 436 A CA -1.588 50.350 52.037 -0.165 0.000 0.674 436 A CB 0.182 19.148 19.000 -0.058 0.000 1.277 436 A HN 0.514 nan 8.150 nan 0.000 0.419 437 P HA -0.171 nan 4.420 nan 0.000 0.217 437 P C 0.402 177.709 177.300 0.012 0.000 1.148 437 P CA 2.098 65.203 63.100 0.009 0.000 0.834 437 P CB 0.116 31.838 31.700 0.037 0.000 0.783 438 D N -2.040 118.377 120.400 0.029 0.000 2.402 438 D HA 0.050 4.691 4.640 0.003 0.000 0.216 438 D C -0.005 176.317 176.300 0.036 0.000 1.128 438 D CA 0.073 54.092 54.000 0.032 0.000 0.833 438 D CB -0.136 40.692 40.800 0.046 0.000 0.971 438 D HN 0.149 nan 8.370 nan 0.000 0.503 439 E N -0.160 120.056 120.200 0.027 0.000 2.302 439 E HA 0.268 4.620 4.350 0.003 0.000 0.263 439 E C -1.210 175.396 176.600 0.010 0.000 0.897 439 E CA -0.430 55.998 56.400 0.047 0.000 0.809 439 E CB 1.882 31.657 29.700 0.124 0.000 1.270 439 E HN -0.131 nan 8.360 nan 0.000 0.410 440 T N 1.907 116.484 114.554 0.039 0.000 2.770 440 T HA 0.420 4.772 4.350 0.003 0.000 0.297 440 T C -0.041 174.727 174.700 0.113 0.000 0.997 440 T CA -0.414 61.722 62.100 0.060 0.000 0.949 440 T CB 0.973 69.888 68.868 0.078 0.000 0.941 440 T HN 0.506 nan 8.240 nan 0.000 0.457 441 A N 3.719 126.579 122.820 0.068 0.000 2.445 441 A HA 0.577 4.899 4.320 0.003 0.000 0.242 441 A C 0.067 177.681 177.584 0.051 0.000 1.075 441 A CA -0.296 51.778 52.037 0.062 0.000 0.777 441 A CB 0.244 19.251 19.000 0.012 0.000 1.013 441 A HN 0.668 nan 8.150 nan 0.000 0.493 442 V N 0.918 120.839 119.914 0.011 0.000 2.715 442 V HA 0.365 4.487 4.120 0.003 0.000 0.310 442 V C -0.292 175.718 176.094 -0.141 0.000 1.054 442 V CA -0.693 61.530 62.300 -0.129 0.000 0.928 442 V CB 1.590 33.417 31.823 0.008 0.000 1.007 442 V HN 1.006 nan 8.190 nan 0.000 0.437 443 c N 3.129 121.583 118.600 -0.244 0.000 2.264 443 c HA 0.506 5.077 4.570 0.003 0.000 0.324 443 c C 0.327 174.343 174.090 -0.123 0.000 1.267 443 c CA -1.084 55.156 56.329 -0.149 0.000 1.618 443 c CB -0.821 41.600 42.510 -0.149 0.000 2.278 443 c HN 0.925 nan 8.230 nan 0.000 0.499 444 N N 2.925 121.592 118.700 -0.055 0.000 2.621 444 N HA 0.585 5.327 4.740 0.003 0.000 0.237 444 N C -1.012 174.501 175.510 0.004 0.000 0.997 444 N CA -0.207 52.832 53.050 -0.018 0.000 0.918 444 N CB 0.611 39.102 38.487 0.007 0.000 1.122 444 N HN 0.580 nan 8.380 nan 0.000 0.510 445 L N 1.248 122.480 121.223 0.015 0.000 2.334 445 L HA 0.971 5.312 4.340 0.003 0.000 0.273 445 L C -0.136 176.743 176.870 0.016 0.000 1.013 445 L CA -1.066 53.782 54.840 0.014 0.000 0.816 445 L CB 1.740 43.804 42.059 0.009 0.000 1.278 445 L HN 0.403 nan 8.230 nan 0.000 0.431 446 A N 1.184 123.977 122.820 -0.044 0.000 2.594 446 A HA 0.735 5.056 4.320 0.003 0.000 0.296 446 A C -0.945 176.600 177.584 -0.066 0.000 1.061 446 A CA -0.531 51.417 52.037 -0.148 0.000 0.689 446 A CB 1.930 20.659 19.000 -0.451 0.000 1.280 446 A HN 0.650 nan 8.150 nan 0.000 0.406 447 S N 0.534 116.229 115.700 -0.009 0.000 2.502 447 S HA 0.694 5.166 4.470 0.003 0.000 0.304 447 S C -0.516 174.156 174.600 0.120 0.000 1.097 447 S CA -0.696 57.540 58.200 0.060 0.000 1.045 447 S CB 1.368 64.623 63.200 0.091 0.000 1.019 447 S HN 1.119 nan 8.310 nan 0.000 0.481 448 V N 2.550 122.531 119.914 0.112 0.000 2.530 448 V HA 0.537 4.659 4.120 0.003 0.000 0.282 448 V C 0.783 177.001 176.094 0.208 0.000 1.048 448 V CA -0.382 62.036 62.300 0.196 0.000 0.997 448 V CB 0.851 32.744 31.823 0.117 0.000 0.987 448 V HN 1.120 nan 8.190 nan 0.000 0.477 449 A N 5.780 128.748 122.820 0.248 0.000 2.437 449 A HA 0.458 4.780 4.320 0.003 0.000 0.303 449 A C 1.010 178.654 177.584 0.101 0.000 1.324 449 A CA -0.320 51.796 52.037 0.131 0.000 0.983 449 A CB -0.109 18.974 19.000 0.139 0.000 1.142 449 A HN 0.922 nan 8.150 nan 0.000 0.541 450 L N 2.878 124.130 121.223 0.048 0.000 2.083 450 L HA -0.080 4.262 4.340 0.003 0.000 0.209 450 L C -0.606 176.354 176.870 0.150 0.000 1.083 450 L CA 1.196 56.147 54.840 0.184 0.000 0.752 450 L CB -1.069 41.001 42.059 0.019 0.000 0.899 450 L HN 0.443 nan 8.230 nan 0.000 0.433 451 P HA -0.100 nan 4.420 nan 0.000 0.223 451 P C 1.264 178.400 177.300 -0.274 0.000 1.151 451 P CA 1.148 64.096 63.100 -0.253 0.000 0.787 451 P CB -0.002 31.368 31.700 -0.550 0.000 0.788 452 A N -1.726 120.827 122.820 -0.446 0.000 2.272 452 A HA -0.095 4.227 4.320 0.003 0.000 0.213 452 A C 1.152 178.243 177.584 -0.822 0.000 1.183 452 A CA 1.091 52.678 52.037 -0.751 0.000 0.719 452 A CB -1.608 16.716 19.000 -1.127 0.000 0.771 452 A HN 0.207 nan 8.150 nan 0.000 0.484 453 F N -1.332 118.440 119.950 -0.296 0.000 2.706 453 F HA 0.389 4.918 4.527 0.003 0.000 0.313 453 F C 0.403 175.798 175.800 -0.675 0.000 1.096 453 F CA -0.572 57.123 58.000 -0.509 0.000 1.219 453 F CB 0.267 38.792 39.000 -0.791 0.000 1.051 453 F HN -0.049 nan 8.300 nan 0.000 0.568 454 I N 1.633 122.032 120.570 -0.284 0.000 2.471 454 I HA 0.072 4.244 4.170 0.003 0.000 0.286 454 I C -0.151 175.895 176.117 -0.119 0.000 1.079 454 I CA 0.543 61.758 61.300 -0.142 0.000 1.398 454 I CB 0.551 38.532 38.000 -0.032 0.000 1.403 454 I HN 0.111 nan 8.210 nan 0.000 0.530 455 E N 3.996 124.144 120.200 -0.088 0.000 2.234 455 E HA 0.335 4.686 4.350 0.003 0.000 0.266 455 E C -1.083 175.500 176.600 -0.029 0.000 0.877 455 E CA -0.674 55.691 56.400 -0.058 0.000 0.758 455 E CB 2.020 31.687 29.700 -0.056 0.000 1.170 455 E HN 0.415 nan 8.360 nan 0.000 0.415 456 T N 1.943 116.483 114.554 -0.023 0.000 2.910 456 T HA 0.296 4.648 4.350 0.003 0.000 0.323 456 T C -0.418 174.277 174.700 -0.008 0.000 1.091 456 T CA -0.350 61.744 62.100 -0.011 0.000 0.960 456 T CB 0.395 69.257 68.868 -0.009 0.000 1.024 456 T HN 0.130 nan 8.240 nan 0.000 0.509 457 S N 3.685 119.383 115.700 -0.004 0.000 2.498 457 S HA 0.422 4.894 4.470 0.003 0.000 0.317 457 S C -0.261 174.339 174.600 0.000 0.000 1.090 457 S CA -0.777 57.421 58.200 -0.003 0.000 1.089 457 S CB 0.754 63.952 63.200 -0.002 0.000 0.997 457 S HN 0.676 nan 8.310 nan 0.000 0.470 458 E N 1.599 121.799 120.200 -0.001 0.000 2.310 458 E HA -0.122 4.229 4.350 0.003 0.000 0.260 458 E C -0.577 176.023 176.600 0.000 0.000 1.101 458 E CA 0.421 56.821 56.400 -0.000 0.000 0.751 458 E CB -2.087 27.614 29.700 0.001 0.000 1.285 458 E HN 0.909 nan 8.360 nan 0.000 0.400 459 D N -1.452 118.948 120.400 -0.000 0.000 10.877 459 D HA 0.084 4.726 4.640 0.003 0.000 0.363 459 D C 0.914 177.215 176.300 0.002 0.000 3.090 459 D CA 3.144 57.144 54.000 0.000 0.000 2.557 459 D CB -0.860 39.940 40.800 0.000 0.000 1.149 459 D HN 0.939 nan 8.370 nan 0.000 0.960 460 G N 0.165 108.967 108.800 0.002 0.000 2.598 460 G HA2 -0.171 3.790 3.960 0.003 0.000 0.244 460 G HA3 -0.171 3.790 3.960 0.003 0.000 0.244 460 G C 0.584 175.487 174.900 0.005 0.000 1.302 460 G CA 1.275 46.377 45.100 0.004 0.000 0.903 460 G HN 1.033 nan 8.290 nan 0.000 0.575 461 K N -0.387 120.017 120.400 0.006 0.000 2.459 461 K HA 0.261 4.583 4.320 0.003 0.000 0.193 461 K C 1.249 177.853 176.600 0.007 0.000 1.030 461 K CA 1.495 57.786 56.287 0.007 0.000 1.026 461 K CB -0.614 31.891 32.500 0.008 0.000 0.809 461 K HN 0.935 nan 8.250 nan 0.000 0.504 462 T N 0.911 115.469 114.554 0.006 0.000 2.769 462 T HA 0.265 4.617 4.350 0.003 0.000 0.293 462 T C -0.021 174.683 174.700 0.008 0.000 0.931 462 T CA -0.626 61.479 62.100 0.008 0.000 1.139 462 T CB 0.536 69.410 68.868 0.009 0.000 0.881 462 T HN 0.283 nan 8.240 nan 0.000 0.532 463 S N 2.379 118.085 115.700 0.011 0.000 2.503 463 S HA 0.787 5.258 4.470 0.003 0.000 0.301 463 S C 0.110 174.725 174.600 0.025 0.000 1.087 463 S CA -0.987 57.219 58.200 0.011 0.000 1.042 463 S CB 1.661 64.866 63.200 0.008 0.000 1.043 463 S HN 0.945 nan 8.310 nan 0.000 0.489 464 T N -0.668 113.898 114.554 0.020 0.000 2.910 464 T HA 0.612 4.964 4.350 0.003 0.000 0.287 464 T C -1.370 173.344 174.700 0.023 0.000 1.050 464 T CA -0.717 61.407 62.100 0.041 0.000 1.011 464 T CB 0.925 69.816 68.868 0.039 0.000 1.195 464 T HN 0.636 nan 8.240 nan 0.000 0.540 465 Y N 1.485 121.694 120.300 -0.152 0.000 2.328 465 Y HA 0.456 5.008 4.550 0.003 0.000 0.337 465 Y C 0.106 175.738 175.900 -0.447 0.000 0.966 465 Y CA -1.059 56.831 58.100 -0.349 0.000 1.136 465 Y CB 1.228 39.346 38.460 -0.569 0.000 1.170 465 Y HN 0.718 nan 8.280 nan 0.000 0.470 466 N N 6.088 124.410 118.700 -0.631 0.000 2.555 466 N HA 0.044 4.785 4.740 0.003 0.000 0.244 466 N C 0.139 175.475 175.510 -0.289 0.000 1.114 466 N CA 0.335 53.206 53.050 -0.298 0.000 0.963 466 N CB -0.180 38.240 38.487 -0.112 0.000 1.276 466 N HN 0.715 nan 8.380 nan 0.000 0.510 467 F N 1.752 121.757 119.950 0.092 0.000 2.293 467 F HA -0.014 4.515 4.527 0.003 0.000 0.300 467 F C 2.133 178.076 175.800 0.238 0.000 1.086 467 F CA 0.744 58.860 58.000 0.193 0.000 1.375 467 F CB 0.245 39.424 39.000 0.299 0.000 1.045 467 F HN 0.337 nan 8.300 nan 0.000 0.516 468 K N 0.067 120.684 120.400 0.361 0.000 2.057 468 K HA -0.159 4.163 4.320 0.003 0.000 0.206 468 K C 2.143 178.842 176.600 0.166 0.000 1.050 468 K CA 0.904 57.377 56.287 0.311 0.000 0.935 468 K CB -0.045 32.569 32.500 0.190 0.000 0.715 468 K HN -0.133 nan 8.250 nan 0.000 0.439 469 K N 0.995 121.454 120.400 0.097 0.000 2.155 469 K HA -0.064 4.257 4.320 0.003 0.000 0.203 469 K C 1.949 178.534 176.600 -0.024 0.000 1.052 469 K CA 0.764 57.117 56.287 0.110 0.000 0.948 469 K CB -0.330 32.318 32.500 0.247 0.000 0.728 469 K HN 0.059 nan 8.250 nan 0.000 0.448 470 L N 0.805 121.756 121.223 -0.454 0.000 2.017 470 L HA -0.159 4.182 4.340 0.003 0.000 0.208 470 L C 2.418 179.073 176.870 -0.358 0.000 1.073 470 L CA 1.929 56.219 54.840 -0.917 0.000 0.745 470 L CB -0.763 40.809 42.059 -0.812 0.000 0.894 470 L HN 0.360 nan 8.230 nan 0.000 0.432 471 H N -0.292 118.616 119.070 -0.269 0.000 2.353 471 H HA -0.226 4.332 4.556 0.003 0.000 0.298 471 H C 2.121 177.303 175.328 -0.244 0.000 1.103 471 H CA 2.274 58.113 56.048 -0.349 0.000 1.293 471 H CB 0.228 29.678 29.762 -0.520 0.000 1.372 471 H HN 0.572 nan 8.280 nan 0.000 0.501 472 E N -0.244 119.951 120.200 -0.009 0.000 2.017 472 E HA -0.139 4.213 4.350 0.003 0.000 0.193 472 E C 2.425 178.986 176.600 -0.065 0.000 0.997 472 E CA 1.092 57.484 56.400 -0.013 0.000 0.804 472 E CB 0.029 29.742 29.700 0.021 0.000 0.757 472 E HN 0.290 nan 8.360 nan 0.000 0.448 473 I N 0.992 121.548 120.570 -0.022 0.000 2.286 473 I HA -0.252 3.920 4.170 0.003 0.000 0.248 473 I C 2.222 178.260 176.117 -0.133 0.000 1.115 473 I CA 1.322 62.636 61.300 0.022 0.000 1.392 473 I CB -0.426 37.766 38.000 0.321 0.000 1.065 473 I HN 0.154 nan 8.210 nan 0.000 0.418 474 A N -0.087 122.619 122.820 -0.189 0.000 1.978 474 A HA -0.220 4.101 4.320 0.003 0.000 0.220 474 A C 2.317 179.741 177.584 -0.266 0.000 1.170 474 A CA 1.485 53.369 52.037 -0.254 0.000 0.636 474 A CB -0.461 18.361 19.000 -0.297 0.000 0.810 474 A HN 0.292 nan 8.150 nan 0.000 0.448 475 K N -0.335 119.908 120.400 -0.261 0.000 2.097 475 K HA -0.079 4.243 4.320 0.003 0.000 0.206 475 K C 1.976 178.481 176.600 -0.159 0.000 1.049 475 K CA 1.412 57.572 56.287 -0.212 0.000 0.933 475 K CB -0.542 31.856 32.500 -0.170 0.000 0.717 475 K HN 0.388 nan 8.250 nan 0.000 0.442 476 V N 1.213 121.029 119.914 -0.163 0.000 2.307 476 V HA -0.188 3.933 4.120 0.003 0.000 0.245 476 V C 2.485 178.449 176.094 -0.216 0.000 1.045 476 V CA 1.333 63.554 62.300 -0.132 0.000 1.024 476 V CB -0.373 31.407 31.823 -0.070 0.000 0.651 476 V HN -0.011 nan 8.190 nan 0.000 0.449 477 V N -0.028 119.616 119.914 -0.451 0.000 2.343 477 V HA -0.275 3.847 4.120 0.003 0.000 0.247 477 V C 2.575 178.537 176.094 -0.221 0.000 1.051 477 V CA 2.554 64.549 62.300 -0.508 0.000 1.036 477 V CB -1.212 30.220 31.823 -0.651 0.000 0.654 477 V HN 0.610 nan 8.190 nan 0.000 0.451 478 T N -0.284 114.163 114.554 -0.179 0.000 2.759 478 T HA -0.216 4.135 4.350 0.003 0.000 0.269 478 T C 2.062 176.732 174.700 -0.051 0.000 1.042 478 T CA 1.602 63.640 62.100 -0.103 0.000 1.140 478 T CB -0.232 68.568 68.868 -0.114 0.000 0.864 478 T HN 0.457 nan 8.240 nan 0.000 0.455 479 R N 0.745 121.222 120.500 -0.037 0.000 2.075 479 R HA 0.026 4.367 4.340 0.003 0.000 0.226 479 R C 2.453 178.793 176.300 0.066 0.000 1.114 479 R CA 1.046 57.160 56.100 0.023 0.000 0.972 479 R CB -0.307 30.018 30.300 0.042 0.000 0.869 479 R HN 0.316 nan 8.270 nan 0.000 0.437 480 N N 1.294 120.045 118.700 0.084 0.000 2.037 480 N HA -0.191 4.551 4.740 0.003 0.000 0.196 480 N C 1.864 177.403 175.510 0.049 0.000 1.034 480 N CA 1.326 54.415 53.050 0.064 0.000 0.861 480 N CB -0.472 38.150 38.487 0.223 0.000 1.039 480 N HN 0.161 nan 8.380 nan 0.000 0.427 481 L N 0.689 121.955 121.223 0.072 0.000 2.083 481 L HA -0.125 4.217 4.340 0.003 0.000 0.209 481 L C 1.938 178.829 176.870 0.034 0.000 1.083 481 L CA 0.875 55.754 54.840 0.065 0.000 0.752 481 L CB -0.393 41.683 42.059 0.028 0.000 0.899 481 L HN 0.265 nan 8.230 nan 0.000 0.433 482 N N -0.191 118.523 118.700 0.024 0.000 2.188 482 N HA -0.138 4.603 4.740 0.003 0.000 0.184 482 N C 1.933 177.461 175.510 0.030 0.000 1.018 482 N CA 0.891 53.958 53.050 0.028 0.000 0.858 482 N CB -0.011 38.491 38.487 0.025 0.000 0.989 482 N HN 0.235 nan 8.380 nan 0.000 0.426 483 R N 0.853 121.360 120.500 0.012 0.000 2.096 483 R HA -0.021 4.321 4.340 0.003 0.000 0.235 483 R C 2.236 178.525 176.300 -0.018 0.000 1.127 483 R CA 0.489 56.582 56.100 -0.012 0.000 0.968 483 R CB -1.132 29.115 30.300 -0.088 0.000 0.861 483 R HN 0.123 nan 8.270 nan 0.000 0.440 484 V N 1.533 121.431 119.914 -0.026 0.000 2.343 484 V HA -0.220 3.902 4.120 0.003 0.000 0.247 484 V C 2.421 178.529 176.094 0.024 0.000 1.051 484 V CA 1.533 63.821 62.300 -0.019 0.000 1.036 484 V CB -0.474 31.341 31.823 -0.013 0.000 0.654 484 V HN 0.178 nan 8.190 nan 0.000 0.451 485 I N 0.171 120.778 120.570 0.062 0.000 2.151 485 I HA -0.297 3.875 4.170 0.003 0.000 0.243 485 I C 2.277 178.508 176.117 0.191 0.000 1.080 485 I CA 1.911 63.294 61.300 0.138 0.000 1.339 485 I CB -0.427 37.641 38.000 0.113 0.000 1.039 485 I HN 0.355 nan 8.210 nan 0.000 0.409 486 D N 0.194 120.666 120.400 0.121 0.000 2.162 486 D HA -0.058 4.584 4.640 0.003 0.000 0.203 486 D C 2.129 178.501 176.300 0.120 0.000 0.967 486 D CA 0.988 55.064 54.000 0.127 0.000 0.840 486 D CB -0.057 40.793 40.800 0.083 0.000 0.972 486 D HN 0.309 nan 8.370 nan 0.000 0.482 487 R N 0.399 120.940 120.500 0.069 0.000 2.317 487 R HA 0.088 4.430 4.340 0.003 0.000 0.208 487 R C 0.449 176.764 176.300 0.026 0.000 0.914 487 R CA -0.335 55.797 56.100 0.052 0.000 1.060 487 R CB 0.075 30.389 30.300 0.025 0.000 1.015 487 R HN -0.007 nan 8.270 nan 0.000 0.498 488 N N 0.651 119.331 118.700 -0.034 0.000 2.479 488 N HA -0.125 4.616 4.740 0.003 0.000 0.257 488 N C -1.137 174.233 175.510 -0.233 0.000 1.232 488 N CA -0.059 52.868 53.050 -0.206 0.000 0.920 488 N CB 0.411 38.631 38.487 -0.444 0.000 1.105 488 N HN 0.009 nan 8.380 nan 0.000 0.444 489 Y N 3.506 123.643 120.300 -0.271 0.000 2.350 489 Y HA 0.308 4.860 4.550 0.003 0.000 0.340 489 Y C -1.216 174.527 175.900 -0.262 0.000 1.006 489 Y CA -0.591 57.413 58.100 -0.160 0.000 1.166 489 Y CB 0.108 38.541 38.460 -0.045 0.000 1.168 489 Y HN 0.463 nan 8.280 nan 0.000 0.502 490 Y N 8.841 128.882 120.300 -0.431 0.000 2.367 490 Y HA 0.266 4.818 4.550 0.003 0.000 0.342 490 Y C -1.320 174.172 175.900 -0.680 0.000 0.979 490 Y CA -2.318 55.574 58.100 -0.348 0.000 1.161 490 Y CB 0.830 39.203 38.460 -0.144 0.000 1.155 490 Y HN 0.585 nan 8.280 nan 0.000 0.503 491 P HA -0.112 nan 4.420 nan 0.000 0.220 491 P C -0.092 177.101 177.300 -0.178 0.000 1.148 491 P CA 1.158 64.092 63.100 -0.277 0.000 0.803 491 P CB 0.376 31.965 31.700 -0.185 0.000 0.782 492 V N -4.172 115.663 119.914 -0.131 0.000 3.007 492 V HA 0.455 4.577 4.120 0.003 0.000 0.311 492 V C 1.391 177.457 176.094 -0.045 0.000 1.120 492 V CA -0.852 61.398 62.300 -0.083 0.000 0.980 492 V CB 1.972 33.737 31.823 -0.097 0.000 1.033 492 V HN -0.245 nan 8.190 nan 0.000 0.429 493 E N 1.727 121.901 120.200 -0.042 0.000 2.106 493 E HA -0.172 4.179 4.350 0.003 0.000 0.192 493 E C 1.527 178.094 176.600 -0.055 0.000 0.984 493 E CA 2.191 58.561 56.400 -0.050 0.000 0.806 493 E CB -0.173 29.508 29.700 -0.032 0.000 0.750 493 E HN 0.882 nan 8.360 nan 0.000 0.458 494 E N 0.195 120.378 120.200 -0.029 0.000 2.147 494 E HA -0.228 4.124 4.350 0.003 0.000 0.199 494 E C 1.885 178.483 176.600 -0.003 0.000 1.005 494 E CA 1.751 58.144 56.400 -0.011 0.000 0.810 494 E CB -0.396 29.302 29.700 -0.002 0.000 0.736 494 E HN 0.453 nan 8.360 nan 0.000 0.460 495 A N 0.438 123.268 122.820 0.018 0.000 1.935 495 A HA -0.056 4.266 4.320 0.003 0.000 0.214 495 A C 2.081 179.569 177.584 -0.160 0.000 1.178 495 A CA 1.012 53.111 52.037 0.104 0.000 0.640 495 A CB -0.216 18.997 19.000 0.355 0.000 0.825 495 A HN 0.065 nan 8.150 nan 0.000 0.447 496 R N 0.269 120.524 120.500 -0.409 0.000 2.062 496 R HA -0.149 4.192 4.340 0.003 0.000 0.231 496 R C 2.267 178.295 176.300 -0.454 0.000 1.136 496 R CA 1.902 57.470 56.100 -0.888 0.000 0.948 496 R CB -0.329 29.625 30.300 -0.576 0.000 0.845 496 R HN 0.530 nan 8.270 nan 0.000 0.430 497 K N 0.060 120.322 120.400 -0.230 0.000 2.020 497 K HA -0.171 4.150 4.320 0.003 0.000 0.212 497 K C 2.161 178.689 176.600 -0.121 0.000 1.050 497 K CA 2.014 58.219 56.287 -0.137 0.000 0.929 497 K CB -0.339 32.123 32.500 -0.062 0.000 0.714 497 K HN 0.099 nan 8.250 nan 0.000 0.443 498 S N 0.593 116.260 115.700 -0.054 0.000 2.359 498 S HA -0.193 4.278 4.470 0.003 0.000 0.223 498 S C 1.860 176.454 174.600 -0.011 0.000 1.039 498 S CA 1.842 60.066 58.200 0.039 0.000 1.042 498 S CB -0.469 62.800 63.200 0.115 0.000 0.915 498 S HN 0.407 nan 8.310 nan 0.000 0.439 499 N N 0.515 119.183 118.700 -0.052 0.000 2.188 499 N HA 0.035 4.777 4.740 0.003 0.000 0.184 499 N C 1.720 177.201 175.510 -0.049 0.000 1.018 499 N CA 1.286 54.331 53.050 -0.008 0.000 0.858 499 N CB -0.333 38.201 38.487 0.079 0.000 0.989 499 N HN 0.395 nan 8.380 nan 0.000 0.426 500 M N -0.232 119.290 119.600 -0.130 0.000 2.254 500 M HA 0.010 4.492 4.480 0.003 0.000 0.265 500 M C 2.026 178.271 176.300 -0.091 0.000 1.066 500 M CA 0.874 56.120 55.300 -0.090 0.000 1.123 500 M CB -0.729 31.803 32.600 -0.114 0.000 1.388 500 M HN 0.139 nan 8.290 nan 0.000 0.425 501 R N -0.672 119.702 120.500 -0.209 0.000 2.093 501 R HA -0.093 4.249 4.340 0.003 0.000 0.224 501 R C 1.586 177.714 176.300 -0.287 0.000 1.101 501 R CA 1.119 57.020 56.100 -0.333 0.000 0.979 501 R CB 0.210 30.161 30.300 -0.581 0.000 0.877 501 R HN 0.455 nan 8.270 nan 0.000 0.441 502 H N -1.153 117.977 119.070 0.100 0.000 3.241 502 H HA 0.277 4.834 4.556 0.003 0.000 0.260 502 H C -0.045 175.166 175.328 -0.196 0.000 1.084 502 H CA -0.141 55.922 56.048 0.025 0.000 1.203 502 H CB 0.602 30.366 29.762 0.004 0.000 1.524 502 H HN 0.061 nan 8.280 nan 0.000 0.521 503 R N 0.789 121.291 120.500 0.002 0.000 3.322 503 R HA -0.108 4.234 4.340 0.003 0.000 0.253 503 R C -2.614 173.648 176.300 -0.062 0.000 0.987 503 R CA 0.197 56.286 56.100 -0.017 0.000 0.666 503 R CB -1.759 28.547 30.300 0.009 0.000 1.072 503 R HN 0.368 nan 8.270 nan 0.000 0.447 504 P HA 0.301 nan 4.420 nan 0.000 0.278 504 P C -0.103 177.189 177.300 -0.013 0.000 1.238 504 P CA -0.173 62.901 63.100 -0.043 0.000 0.794 504 P CB 0.975 32.666 31.700 -0.015 0.000 0.955 505 I N 1.179 121.743 120.570 -0.010 0.000 2.828 505 I HA 0.544 4.716 4.170 0.003 0.000 0.302 505 I C -0.227 175.893 176.117 0.006 0.000 1.101 505 I CA -1.521 59.779 61.300 0.000 0.000 1.031 505 I CB 1.790 39.789 38.000 -0.001 0.000 1.231 505 I HN 0.411 nan 8.210 nan 0.000 0.427 506 A N 6.155 128.977 122.820 0.004 0.000 2.702 506 A HA 0.626 4.948 4.320 0.003 0.000 0.305 506 A C -0.949 176.640 177.584 0.009 0.000 1.213 506 A CA -0.370 51.674 52.037 0.012 0.000 0.745 506 A CB 0.305 19.309 19.000 0.008 0.000 1.161 506 A HN 0.571 nan 8.150 nan 0.000 0.445 507 L N 1.986 123.216 121.223 0.011 0.000 2.380 507 L HA 0.589 4.931 4.340 0.003 0.000 0.273 507 L C 1.036 177.933 176.870 0.046 0.000 1.138 507 L CA 0.691 55.529 54.840 -0.002 0.000 0.832 507 L CB 1.454 43.502 42.059 -0.018 0.000 1.124 507 L HN 0.745 nan 8.230 nan 0.000 0.454 508 G N 2.037 110.868 108.800 0.052 0.000 3.105 508 G HA2 0.742 4.704 3.960 0.003 0.000 0.277 508 G HA3 0.742 4.704 3.960 0.003 0.000 0.277 508 G C -1.279 173.690 174.900 0.114 0.000 1.375 508 G CA -0.233 44.942 45.100 0.124 0.000 0.962 508 G HN 0.598 nan 8.290 nan 0.000 0.541 509 V N -2.285 117.740 119.914 0.185 0.000 3.078 509 V HA 0.918 5.040 4.120 0.003 0.000 0.311 509 V C -0.987 175.210 176.094 0.172 0.000 1.138 509 V CA -0.819 61.568 62.300 0.145 0.000 1.007 509 V CB 1.395 33.285 31.823 0.111 0.000 1.045 509 V HN 1.193 nan 8.190 nan 0.000 0.432 510 Q N 1.126 121.003 119.800 0.129 0.000 2.456 510 Q HA 0.734 5.075 4.340 0.003 0.000 0.284 510 Q C 0.340 176.370 176.000 0.050 0.000 1.061 510 Q CA -0.584 55.295 55.803 0.127 0.000 0.799 510 Q CB 1.827 30.663 28.738 0.164 0.000 1.445 510 Q HN 2.468 nan 8.270 nan 0.000 0.411 511 G N 0.669 109.501 108.800 0.054 0.000 2.147 511 G HA2 -0.275 3.686 3.960 0.003 0.000 0.244 511 G HA3 -0.275 3.686 3.960 0.003 0.000 0.244 511 G C 0.325 175.139 174.900 -0.144 0.000 1.005 511 G CA 0.396 45.448 45.100 -0.079 0.000 0.713 511 G HN 0.609 nan 8.290 nan 0.000 0.515 512 L N -0.296 120.870 121.223 -0.095 0.000 1.971 512 L HA -0.118 4.224 4.340 0.003 0.000 0.215 512 L C 3.187 179.809 176.870 -0.413 0.000 1.072 512 L CA 2.941 57.608 54.840 -0.289 0.000 0.758 512 L CB -0.874 41.129 42.059 -0.093 0.000 0.889 512 L HN 0.548 nan 8.230 nan 0.000 0.433 513 A N -0.101 122.713 122.820 -0.010 0.000 1.883 513 A HA -0.313 4.009 4.320 0.003 0.000 0.217 513 A C 1.713 179.358 177.584 0.101 0.000 1.186 513 A CA 2.319 54.480 52.037 0.206 0.000 0.624 513 A CB -0.934 18.241 19.000 0.291 0.000 0.822 513 A HN 0.572 nan 8.150 nan 0.000 0.444 514 D N -0.768 119.672 120.400 0.067 0.000 2.116 514 D HA -0.131 4.511 4.640 0.003 0.000 0.193 514 D C 1.977 178.148 176.300 -0.215 0.000 0.998 514 D CA 2.008 56.002 54.000 -0.010 0.000 0.836 514 D CB -0.558 40.282 40.800 0.068 0.000 0.951 514 D HN 0.421 nan 8.370 nan 0.000 0.449 515 T N 0.180 114.601 114.554 -0.222 0.000 2.684 515 T HA -0.161 4.191 4.350 0.003 0.000 0.267 515 T C 1.570 176.218 174.700 -0.087 0.000 1.036 515 T CA 0.895 62.875 62.100 -0.200 0.000 1.148 515 T CB -0.412 68.282 68.868 -0.290 0.000 0.863 515 T HN 0.044 nan 8.240 nan 0.000 0.436 516 F N 1.222 121.110 119.950 -0.102 0.000 2.102 516 F HA 0.055 4.583 4.527 0.003 0.000 0.298 516 F C 2.426 178.155 175.800 -0.118 0.000 1.105 516 F CA 0.619 58.552 58.000 -0.112 0.000 1.239 516 F CB -1.034 37.910 39.000 -0.092 0.000 0.991 516 F HN 0.151 nan 8.300 nan 0.000 0.474 517 M N -1.187 118.455 119.600 0.070 0.000 2.213 517 M HA -0.186 4.296 4.480 0.003 0.000 0.263 517 M C 2.010 178.212 176.300 -0.163 0.000 1.062 517 M CA 1.071 56.334 55.300 -0.061 0.000 1.105 517 M CB -0.476 32.126 32.600 0.002 0.000 1.385 517 M HN 0.081 nan 8.290 nan 0.000 0.417 518 L N -0.003 121.064 121.223 -0.260 0.000 2.156 518 L HA -0.018 4.323 4.340 0.003 0.000 0.208 518 L C 1.851 178.673 176.870 -0.080 0.000 1.095 518 L CA 1.616 56.323 54.840 -0.221 0.000 0.770 518 L CB -0.580 41.327 42.059 -0.254 0.000 0.914 518 L HN 0.295 nan 8.230 nan 0.000 0.439 519 L N -0.864 120.334 121.223 -0.041 0.000 2.612 519 L HA 0.105 4.446 4.340 0.003 0.000 0.230 519 L C 0.501 177.360 176.870 -0.018 0.000 1.140 519 L CA -0.091 54.746 54.840 -0.004 0.000 0.896 519 L CB -0.048 42.031 42.059 0.034 0.000 1.065 519 L HN 0.217 nan 8.230 nan 0.000 0.447 520 R N 0.205 120.680 120.500 -0.042 0.000 3.651 520 R HA -0.148 4.193 4.340 0.003 0.000 0.292 520 R C -0.659 175.593 176.300 -0.079 0.000 1.161 520 R CA 0.623 56.684 56.100 -0.066 0.000 0.787 520 R CB -2.533 27.741 30.300 -0.043 0.000 1.249 520 R HN 0.328 nan 8.270 nan 0.000 0.476 521 L N 1.061 122.241 121.223 -0.071 0.000 2.287 521 L HA 0.440 4.781 4.340 0.003 0.000 0.287 521 L C -1.993 174.788 176.870 -0.149 0.000 1.022 521 L CA -2.204 52.560 54.840 -0.127 0.000 0.814 521 L CB 1.358 43.312 42.059 -0.176 0.000 1.217 521 L HN -0.307 nan 8.230 nan 0.000 0.420 522 P HA -0.021 nan 4.420 nan 0.000 0.265 522 P C 0.484 177.692 177.300 -0.153 0.000 1.193 522 P CA -0.058 62.984 63.100 -0.097 0.000 0.765 522 P CB 0.457 32.112 31.700 -0.075 0.000 0.823 523 F N 3.142 123.000 119.950 -0.153 0.000 2.154 523 F HA -0.252 4.276 4.527 0.003 0.000 0.301 523 F C 1.238 176.911 175.800 -0.213 0.000 1.087 523 F CA 2.206 60.106 58.000 -0.168 0.000 1.274 523 F CB -0.252 38.776 39.000 0.047 0.000 1.009 523 F HN 0.369 nan 8.300 nan 0.000 0.485 524 D N -1.300 119.128 120.400 0.047 0.000 2.340 524 D HA 0.098 4.739 4.640 0.003 0.000 0.217 524 D C 0.641 176.899 176.300 -0.069 0.000 1.081 524 D CA 0.286 54.301 54.000 0.025 0.000 0.842 524 D CB -0.432 40.413 40.800 0.075 0.000 0.934 524 D HN 0.168 nan 8.370 nan 0.000 0.511 525 S N -0.345 115.260 115.700 -0.157 0.000 2.617 525 S HA 0.148 4.620 4.470 0.003 0.000 0.269 525 S C 1.194 175.693 174.600 -0.168 0.000 1.292 525 S CA -0.733 57.377 58.200 -0.150 0.000 1.010 525 S CB 2.004 65.102 63.200 -0.170 0.000 0.944 525 S HN -0.011 nan 8.310 nan 0.000 0.536 526 E N 0.918 121.048 120.200 -0.116 0.000 2.160 526 E HA -0.169 4.183 4.350 0.003 0.000 0.195 526 E C 1.414 177.933 176.600 -0.135 0.000 0.991 526 E CA 1.729 58.066 56.400 -0.104 0.000 0.810 526 E CB -0.326 29.335 29.700 -0.064 0.000 0.742 526 E HN 0.795 nan 8.360 nan 0.000 0.466 527 E N -0.235 119.873 120.200 -0.153 0.000 2.112 527 E HA 0.045 4.396 4.350 0.003 0.000 0.190 527 E C 1.921 178.369 176.600 -0.253 0.000 0.979 527 E CA 1.135 57.441 56.400 -0.156 0.000 0.814 527 E CB -0.381 29.247 29.700 -0.120 0.000 0.762 527 E HN 0.362 nan 8.360 nan 0.000 0.460 528 A N 1.271 123.820 122.820 -0.450 0.000 1.902 528 A HA -0.206 4.116 4.320 0.003 0.000 0.217 528 A C 2.146 179.399 177.584 -0.551 0.000 1.181 528 A CA 1.650 53.137 52.037 -0.916 0.000 0.623 528 A CB -0.461 17.625 19.000 -1.525 0.000 0.818 528 A HN 0.115 nan 8.150 nan 0.000 0.443 529 R N -0.780 119.509 120.500 -0.351 0.000 2.105 529 R HA -0.114 4.227 4.340 0.003 0.000 0.239 529 R C 1.907 178.120 176.300 -0.146 0.000 1.135 529 R CA 1.501 57.485 56.100 -0.194 0.000 0.967 529 R CB -0.290 29.930 30.300 -0.134 0.000 0.861 529 R HN 0.429 nan 8.270 nan 0.000 0.442 530 L N 0.995 122.120 121.223 -0.163 0.000 2.095 530 L HA -0.104 4.238 4.340 0.003 0.000 0.204 530 L C 2.268 179.031 176.870 -0.178 0.000 1.080 530 L CA 1.165 55.884 54.840 -0.202 0.000 0.759 530 L CB -1.061 40.892 42.059 -0.177 0.000 0.914 530 L HN 0.261 nan 8.230 nan 0.000 0.439 531 L N 0.568 121.746 121.223 -0.074 0.000 2.042 531 L HA -0.241 4.101 4.340 0.003 0.000 0.210 531 L C 2.204 179.114 176.870 0.067 0.000 1.076 531 L CA 1.937 56.794 54.840 0.029 0.000 0.749 531 L CB -0.910 41.195 42.059 0.075 0.000 0.893 531 L HN 0.348 nan 8.230 nan 0.000 0.432 532 N N -0.117 118.671 118.700 0.147 0.000 2.061 532 N HA -0.259 4.483 4.740 0.003 0.000 0.193 532 N C 1.826 177.461 175.510 0.208 0.000 1.030 532 N CA 2.419 55.607 53.050 0.229 0.000 0.856 532 N CB -0.338 38.270 38.487 0.201 0.000 1.023 532 N HN 0.519 nan 8.380 nan 0.000 0.424 533 I N -0.015 120.575 120.570 0.033 0.000 2.286 533 I HA -0.275 3.897 4.170 0.003 0.000 0.248 533 I C 2.259 178.305 176.117 -0.118 0.000 1.115 533 I CA 1.144 62.440 61.300 -0.006 0.000 1.392 533 I CB -0.319 37.590 38.000 -0.151 0.000 1.065 533 I HN 0.366 nan 8.210 nan 0.000 0.418 534 Q N 0.581 120.263 119.800 -0.196 0.000 2.020 534 Q HA -0.124 4.218 4.340 0.003 0.000 0.198 534 Q C 2.395 178.374 176.000 -0.035 0.000 0.974 534 Q CA 1.327 56.990 55.803 -0.233 0.000 0.829 534 Q CB -0.043 28.440 28.738 -0.425 0.000 0.894 534 Q HN 0.462 nan 8.270 nan 0.000 0.433 535 I N 0.249 120.872 120.570 0.089 0.000 2.087 535 I HA -0.331 3.840 4.170 0.003 0.000 0.240 535 I C 1.959 177.949 176.117 -0.213 0.000 1.054 535 I CA 1.628 62.915 61.300 -0.021 0.000 1.311 535 I CB -0.315 37.553 38.000 -0.220 0.000 1.024 535 I HN 0.153 nan 8.210 nan 0.000 0.402 536 F N 0.444 120.352 119.950 -0.070 0.000 2.293 536 F HA -0.154 4.375 4.527 0.003 0.000 0.300 536 F C 2.563 178.247 175.800 -0.194 0.000 1.086 536 F CA 1.275 59.228 58.000 -0.078 0.000 1.375 536 F CB -0.407 38.577 39.000 -0.026 0.000 1.045 536 F HN 0.129 nan 8.300 nan 0.000 0.516 537 E N 0.039 120.011 120.200 -0.379 0.000 2.047 537 E HA -0.232 4.119 4.350 0.003 0.000 0.191 537 E C 2.366 178.991 176.600 0.041 0.000 0.987 537 E CA 1.806 57.924 56.400 -0.470 0.000 0.799 537 E CB -0.156 29.286 29.700 -0.431 0.000 0.752 537 E HN 0.385 nan 8.360 nan 0.000 0.449 538 T N -0.295 114.273 114.554 0.025 0.000 2.821 538 T HA -0.098 4.254 4.350 0.003 0.000 0.267 538 T C 2.020 176.555 174.700 -0.274 0.000 1.046 538 T CA 1.233 63.230 62.100 -0.172 0.000 1.139 538 T CB -0.388 68.566 68.868 0.142 0.000 0.871 538 T HN 0.182 nan 8.240 nan 0.000 0.454 539 I N -0.384 120.092 120.570 -0.157 0.000 2.286 539 I HA -0.082 4.089 4.170 0.003 0.000 0.248 539 I C 2.453 178.571 176.117 0.002 0.000 1.115 539 I CA 1.569 62.776 61.300 -0.154 0.000 1.392 539 I CB -0.532 37.369 38.000 -0.165 0.000 1.065 539 I HN 0.248 nan 8.210 nan 0.000 0.418 540 Y N 1.157 121.482 120.300 0.041 0.000 2.163 540 Y HA -0.276 4.276 4.550 0.003 0.000 0.288 540 Y C 2.837 178.858 175.900 0.202 0.000 1.136 540 Y CA 1.715 59.945 58.100 0.217 0.000 1.147 540 Y CB -0.857 37.894 38.460 0.485 0.000 0.987 540 Y HN 0.196 nan 8.280 nan 0.000 0.509 541 H N 0.050 119.102 119.070 -0.031 0.000 2.319 541 H HA -0.182 4.375 4.556 0.003 0.000 0.299 541 H C 2.061 177.058 175.328 -0.552 0.000 1.092 541 H CA 1.831 57.559 56.048 -0.532 0.000 1.302 541 H CB -0.304 28.953 29.762 -0.841 0.000 1.373 541 H HN 0.431 nan 8.280 nan 0.000 0.497 542 A N 0.683 123.065 122.820 -0.729 0.000 1.858 542 A HA -0.200 4.122 4.320 0.003 0.000 0.216 542 A C 2.868 180.133 177.584 -0.532 0.000 1.190 542 A CA 2.551 53.971 52.037 -1.029 0.000 0.617 542 A CB -1.043 17.207 19.000 -1.249 0.000 0.827 542 A HN 0.691 nan 8.150 nan 0.000 0.443 543 S N -0.480 115.017 115.700 -0.337 0.000 2.370 543 S HA -0.205 4.266 4.470 0.003 0.000 0.226 543 S C 1.956 176.450 174.600 -0.176 0.000 1.033 543 S CA 1.909 59.995 58.200 -0.190 0.000 1.011 543 S CB -0.538 62.629 63.200 -0.056 0.000 0.852 543 S HN 0.386 nan 8.310 nan 0.000 0.457 544 M N 1.508 120.970 119.600 -0.230 0.000 2.175 544 M HA 0.028 4.510 4.480 0.003 0.000 0.264 544 M C 2.441 178.598 176.300 -0.237 0.000 1.063 544 M CA 1.546 56.717 55.300 -0.214 0.000 1.119 544 M CB -1.189 31.230 32.600 -0.302 0.000 1.377 544 M HN 0.628 nan 8.290 nan 0.000 0.415 545 E N 0.498 120.475 120.200 -0.372 0.000 2.047 545 E HA -0.146 4.206 4.350 0.003 0.000 0.191 545 E C 1.999 178.483 176.600 -0.193 0.000 0.987 545 E CA 1.370 57.581 56.400 -0.314 0.000 0.799 545 E CB 0.078 29.533 29.700 -0.408 0.000 0.752 545 E HN 0.403 nan 8.360 nan 0.000 0.449 546 A N 0.511 123.211 122.820 -0.200 0.000 1.933 546 A HA -0.175 4.147 4.320 0.003 0.000 0.218 546 A C 2.321 179.845 177.584 -0.100 0.000 1.175 546 A CA 1.844 53.799 52.037 -0.137 0.000 0.628 546 A CB -0.763 18.149 19.000 -0.146 0.000 0.814 546 A HN 0.343 nan 8.150 nan 0.000 0.444 547 S N -1.635 114.007 115.700 -0.096 0.000 2.423 547 S HA -0.162 4.310 4.470 0.003 0.000 0.231 547 S C 1.965 176.530 174.600 -0.059 0.000 1.014 547 S CA 1.319 59.485 58.200 -0.056 0.000 0.965 547 S CB -0.798 62.383 63.200 -0.032 0.000 0.785 547 S HN 0.709 nan 8.310 nan 0.000 0.495 548 C N 1.323 120.577 119.300 -0.077 0.000 2.476 548 C HA 0.094 4.556 4.460 0.003 0.000 0.278 548 C C 2.393 177.332 174.990 -0.085 0.000 1.274 548 C CA 1.112 60.087 59.018 -0.072 0.000 1.713 548 C CB -1.442 26.264 27.740 -0.056 0.000 2.039 548 C HN 0.702 nan 8.230 nan 0.000 0.484 549 E N 0.487 120.633 120.200 -0.090 0.000 2.065 549 E HA -0.270 4.082 4.350 0.003 0.000 0.201 549 E C 2.023 178.572 176.600 -0.085 0.000 1.016 549 E CA 1.887 58.230 56.400 -0.094 0.000 0.818 549 E CB -0.321 29.331 29.700 -0.079 0.000 0.749 549 E HN 0.650 nan 8.360 nan 0.000 0.453 550 L N 0.345 121.530 121.223 -0.064 0.000 2.042 550 L HA -0.244 4.097 4.340 0.003 0.000 0.210 550 L C 2.547 179.388 176.870 -0.050 0.000 1.076 550 L CA 1.140 55.953 54.840 -0.044 0.000 0.749 550 L CB -0.487 41.557 42.059 -0.025 0.000 0.893 550 L HN 0.185 nan 8.230 nan 0.000 0.432 551 A N -0.610 122.170 122.820 -0.066 0.000 1.933 551 A HA -0.257 4.065 4.320 0.003 0.000 0.218 551 A C 2.216 179.748 177.584 -0.086 0.000 1.175 551 A CA 1.627 53.613 52.037 -0.086 0.000 0.628 551 A CB -0.431 18.483 19.000 -0.143 0.000 0.814 551 A HN 0.511 nan 8.150 nan 0.000 0.444 552 Q N -0.370 119.359 119.800 -0.119 0.000 2.079 552 Q HA -0.158 4.183 4.340 0.003 0.000 0.200 552 Q C 2.060 177.997 176.000 -0.105 0.000 0.974 552 Q CA 1.701 57.402 55.803 -0.170 0.000 0.840 552 Q CB -0.174 28.379 28.738 -0.308 0.000 0.898 552 Q HN 0.657 nan 8.270 nan 0.000 0.430 553 K N 0.199 120.552 120.400 -0.079 0.000 2.031 553 K HA -0.096 4.225 4.320 0.003 0.000 0.205 553 K C 0.775 177.358 176.600 -0.029 0.000 1.049 553 K CA 1.238 57.496 56.287 -0.049 0.000 0.939 553 K CB 0.239 32.716 32.500 -0.037 0.000 0.717 553 K HN 0.163 nan 8.250 nan 0.000 0.438 554 D N -0.998 119.387 120.400 -0.024 0.000 2.500 554 D HA 0.155 4.797 4.640 0.003 0.000 0.217 554 D C 0.268 176.564 176.300 -0.007 0.000 1.159 554 D CA 0.302 54.297 54.000 -0.008 0.000 0.828 554 D CB 1.261 42.064 40.800 0.004 0.000 1.039 554 D HN 0.279 nan 8.370 nan 0.000 0.512 555 G N 2.591 111.378 108.800 -0.023 0.000 2.690 555 G HA2 -0.140 3.822 3.960 0.003 0.000 0.686 555 G HA3 -0.140 3.822 3.960 0.003 0.000 0.686 555 G C -2.994 171.876 174.900 -0.050 0.000 1.277 555 G CA -1.099 43.984 45.100 -0.028 0.000 0.799 555 G HN -0.085 nan 8.290 nan 0.000 0.613 556 P HA 0.422 nan 4.420 nan 0.000 0.276 556 P C 0.201 177.471 177.300 -0.051 0.000 1.244 556 P CA -0.436 62.550 63.100 -0.191 0.000 0.801 556 P CB 0.268 31.688 31.700 -0.466 0.000 1.006 557 Y N -1.054 119.251 120.300 0.009 0.000 2.607 557 Y HA 0.035 4.587 4.550 0.003 0.000 0.348 557 Y C 1.670 177.639 175.900 0.115 0.000 1.261 557 Y CA -0.064 58.078 58.100 0.070 0.000 1.480 557 Y CB -0.566 37.956 38.460 0.102 0.000 1.358 557 Y HN 0.448 nan 8.280 nan 0.000 0.630 558 E N 0.409 120.721 120.200 0.186 0.000 2.204 558 E HA -0.138 4.213 4.350 0.003 0.000 0.195 558 E C 1.131 177.779 176.600 0.080 0.000 0.990 558 E CA 1.733 58.187 56.400 0.090 0.000 0.821 558 E CB -0.244 29.495 29.700 0.066 0.000 0.750 558 E HN 0.851 nan 8.360 nan 0.000 0.477 559 T N -2.160 112.506 114.554 0.187 0.000 3.176 559 T HA 0.117 4.468 4.350 0.003 0.000 0.263 559 T C 1.092 175.767 174.700 -0.041 0.000 1.021 559 T CA -0.573 61.636 62.100 0.182 0.000 0.905 559 T CB -0.401 68.728 68.868 0.436 0.000 1.057 559 T HN 0.120 nan 8.240 nan 0.000 0.558 560 F N 2.239 121.767 119.950 -0.703 0.000 2.126 560 F HA 0.032 4.561 4.527 0.003 0.000 0.299 560 F C 1.136 176.779 175.800 -0.261 0.000 1.096 560 F CA 0.806 58.331 58.000 -0.793 0.000 1.255 560 F CB -0.170 38.314 39.000 -0.860 0.000 0.997 560 F HN 0.177 nan 8.300 nan 0.000 0.479 561 Q N 0.005 119.625 119.800 -0.301 0.000 2.337 561 Q HA 0.287 4.629 4.340 0.003 0.000 0.270 561 Q C 0.928 176.777 176.000 -0.251 0.000 1.002 561 Q CA 0.668 56.283 55.803 -0.313 0.000 0.888 561 Q CB 0.740 29.411 28.738 -0.111 0.000 1.222 561 Q HN 0.613 nan 8.270 nan 0.000 0.400 562 G N 1.562 110.204 108.800 -0.263 0.000 2.175 562 G HA2 -0.299 3.663 3.960 0.003 0.000 0.244 562 G HA3 -0.299 3.663 3.960 0.003 0.000 0.244 562 G C 0.169 174.967 174.900 -0.170 0.000 0.982 562 G CA 0.246 45.246 45.100 -0.168 0.000 0.641 562 G HN 0.730 nan 8.290 nan 0.000 0.527 563 S N 0.313 115.858 115.700 -0.259 0.000 2.610 563 S HA 0.679 5.150 4.470 0.003 0.000 0.273 563 S C -0.613 173.892 174.600 -0.159 0.000 1.274 563 S CA -0.545 57.552 58.200 -0.171 0.000 1.023 563 S CB 2.516 65.649 63.200 -0.111 0.000 0.962 563 S HN -0.047 nan 8.310 nan 0.000 0.523 564 P HA -0.194 nan 4.420 nan 0.000 0.217 564 P C 1.632 178.908 177.300 -0.040 0.000 1.158 564 P CA 2.422 65.494 63.100 -0.047 0.000 0.887 564 P CB -0.268 31.423 31.700 -0.016 0.000 0.792 565 A N -0.114 122.712 122.820 0.009 0.000 1.940 565 A HA -0.219 4.103 4.320 0.003 0.000 0.219 565 A C 2.357 179.972 177.584 0.051 0.000 1.176 565 A CA 2.454 54.550 52.037 0.097 0.000 0.631 565 A CB -1.676 17.490 19.000 0.277 0.000 0.814 565 A HN 0.375 nan 8.150 nan 0.000 0.446 566 S N -1.292 114.256 115.700 -0.254 0.000 2.481 566 S HA -0.078 4.394 4.470 0.003 0.000 0.231 566 S C 1.296 175.809 174.600 -0.144 0.000 0.996 566 S CA 1.031 58.994 58.200 -0.394 0.000 0.942 566 S CB -0.128 62.446 63.200 -1.044 0.000 0.768 566 S HN 0.526 nan 8.310 nan 0.000 0.520 567 Q N 0.521 120.258 119.800 -0.104 0.000 2.220 567 Q HA 0.336 4.677 4.340 0.003 0.000 0.205 567 Q C 1.287 177.280 176.000 -0.011 0.000 0.865 567 Q CA 0.504 56.275 55.803 -0.054 0.000 0.960 567 Q CB 0.109 28.811 28.738 -0.060 0.000 1.097 567 Q HN 0.744 nan 8.270 nan 0.000 0.493 568 G N 1.344 110.153 108.800 0.016 0.000 2.162 568 G HA2 -0.271 3.691 3.960 0.003 0.000 0.260 568 G HA3 -0.271 3.691 3.960 0.003 0.000 0.260 568 G C 0.233 175.142 174.900 0.016 0.000 0.976 568 G CA -0.064 45.061 45.100 0.042 0.000 0.655 568 G HN 0.393 nan 8.290 nan 0.000 0.533 569 I N 1.831 122.395 120.570 -0.010 0.000 2.308 569 I HA 0.359 4.530 4.170 0.003 0.000 0.293 569 I C 1.056 177.130 176.117 -0.073 0.000 1.078 569 I CA -0.386 60.887 61.300 -0.045 0.000 1.292 569 I CB 0.376 38.353 38.000 -0.038 0.000 1.423 569 I HN 0.027 nan 8.210 nan 0.000 0.493 570 L N 4.821 125.926 121.223 -0.196 0.000 2.440 570 L HA 0.276 4.618 4.340 0.003 0.000 0.262 570 L C 1.394 178.045 176.870 -0.366 0.000 1.072 570 L CA -0.583 54.092 54.840 -0.275 0.000 0.798 570 L CB 0.544 42.324 42.059 -0.465 0.000 1.307 570 L HN 0.424 nan 8.230 nan 0.000 0.475 571 Q N 0.853 120.504 119.800 -0.247 0.000 2.030 571 Q HA -0.216 4.126 4.340 0.003 0.000 0.204 571 Q C 1.755 177.670 176.000 -0.142 0.000 0.986 571 Q CA 2.396 58.103 55.803 -0.161 0.000 0.843 571 Q CB -0.443 28.148 28.738 -0.245 0.000 0.904 571 Q HN 0.569 nan 8.270 nan 0.000 0.420 572 F N -0.465 119.423 119.950 -0.103 0.000 2.202 572 F HA -0.083 4.445 4.527 0.003 0.000 0.301 572 F C 1.492 177.275 175.800 -0.028 0.000 1.082 572 F CA 1.142 59.026 58.000 -0.194 0.000 1.313 572 F CB -0.721 38.023 39.000 -0.427 0.000 1.024 572 F HN 0.025 nan 8.300 nan 0.000 0.495 573 D N 1.274 121.593 120.400 -0.136 0.000 2.149 573 D HA -0.181 4.460 4.640 0.003 0.000 0.198 573 D C 2.100 178.417 176.300 0.028 0.000 0.990 573 D CA 1.782 55.776 54.000 -0.011 0.000 0.839 573 D CB -0.339 40.392 40.800 -0.115 0.000 0.948 573 D HN 0.454 nan 8.370 nan 0.000 0.460 574 M N -1.319 118.296 119.600 0.025 0.000 2.562 574 M HA -0.044 4.437 4.480 0.003 0.000 0.257 574 M C 0.965 177.233 176.300 -0.052 0.000 1.099 574 M CA 0.558 55.851 55.300 -0.012 0.000 1.099 574 M CB 0.087 32.663 32.600 -0.039 0.000 1.427 574 M HN 0.037 nan 8.290 nan 0.000 0.489 575 W N 0.520 121.764 121.300 -0.092 0.000 3.316 575 W HA 0.125 4.787 4.660 0.003 0.000 0.327 575 W C -0.001 176.478 176.519 -0.067 0.000 1.232 575 W CA -0.315 56.976 57.345 -0.090 0.000 1.805 575 W CB 0.030 29.424 29.460 -0.111 0.000 1.090 575 W HN 0.192 nan 8.180 nan 0.000 0.654 576 D N 1.273 121.745 120.400 0.121 0.000 2.686 576 D HA -0.209 4.433 4.640 0.003 0.000 0.235 576 D C -0.026 176.327 176.300 0.089 0.000 1.160 576 D CA 0.967 55.012 54.000 0.075 0.000 0.645 576 D CB -1.098 39.716 40.800 0.024 0.000 1.039 576 D HN 0.347 nan 8.370 nan 0.000 0.423 577 Q N -0.421 119.452 119.800 0.122 0.000 2.458 577 Q HA 0.438 4.779 4.340 0.003 0.000 0.282 577 Q C -0.015 176.026 176.000 0.068 0.000 1.106 577 Q CA -0.991 54.855 55.803 0.071 0.000 0.814 577 Q CB 2.135 30.889 28.738 0.027 0.000 1.425 577 Q HN -0.125 nan 8.270 nan 0.000 0.437 578 K N 2.292 122.687 120.400 -0.008 0.000 2.172 578 K HA 0.421 4.742 4.320 0.003 0.000 0.276 578 K C -2.294 174.174 176.600 -0.221 0.000 1.013 578 K CA -1.815 54.429 56.287 -0.071 0.000 0.913 578 K CB 0.736 33.212 32.500 -0.039 0.000 1.055 578 K HN 0.451 nan 8.250 nan 0.000 0.461 579 P HA -0.002 nan 4.420 nan 0.000 0.272 579 P C 0.573 177.820 177.300 -0.089 0.000 1.223 579 P CA -0.189 62.553 63.100 -0.596 0.000 0.784 579 P CB 0.466 31.348 31.700 -1.363 0.000 0.923 580 Y N 2.369 122.693 120.300 0.039 0.000 2.241 580 Y HA -0.151 4.400 4.550 0.003 0.000 0.286 580 Y C 1.679 177.580 175.900 0.003 0.000 1.166 580 Y CA 2.318 60.436 58.100 0.029 0.000 1.203 580 Y CB -0.577 37.910 38.460 0.044 0.000 0.977 580 Y HN 0.697 nan 8.280 nan 0.000 0.529 581 G N 0.288 109.057 108.800 -0.052 0.000 2.142 581 G HA2 -0.355 3.607 3.960 0.003 0.000 0.225 581 G HA3 -0.355 3.607 3.960 0.003 0.000 0.225 581 G C 0.809 175.540 174.900 -0.282 0.000 1.015 581 G CA 0.368 45.402 45.100 -0.109 0.000 0.716 581 G HN 0.551 nan 8.290 nan 0.000 0.508 582 M N -1.282 118.161 119.600 -0.261 0.000 2.254 582 M HA 0.246 4.728 4.480 0.003 0.000 0.265 582 M C 0.779 176.561 176.300 -0.864 0.000 1.066 582 M CA 1.104 56.095 55.300 -0.514 0.000 1.123 582 M CB 0.069 32.397 32.600 -0.452 0.000 1.388 582 M HN 0.323 nan 8.290 nan 0.000 0.425 583 W N 0.469 121.553 121.300 -0.360 0.000 2.639 583 W HA 0.306 4.968 4.660 0.003 0.000 0.347 583 W C -0.519 175.644 176.519 -0.594 0.000 1.067 583 W CA -0.801 56.124 57.345 -0.699 0.000 1.218 583 W CB 0.420 29.061 29.460 -1.365 0.000 1.393 583 W HN -0.067 nan 8.180 nan 0.000 0.557 584 D N 1.128 121.352 120.400 -0.293 0.000 2.359 584 D HA 0.032 4.673 4.640 0.003 0.000 0.250 584 D C 0.189 176.480 176.300 -0.015 0.000 1.264 584 D CA -0.112 53.836 54.000 -0.088 0.000 0.911 584 D CB 0.252 41.036 40.800 -0.027 0.000 1.056 584 D HN 0.384 nan 8.370 nan 0.000 0.499 585 W N 2.174 123.599 121.300 0.208 0.000 2.476 585 W HA -0.039 4.624 4.660 0.003 0.000 0.281 585 W C 1.823 178.475 176.519 0.223 0.000 1.230 585 W CA -0.121 57.400 57.345 0.293 0.000 1.287 585 W CB 0.255 29.908 29.460 0.322 0.000 1.108 585 W HN 0.340 nan 8.180 nan 0.000 0.567 586 D N -0.409 120.203 120.400 0.354 0.000 2.104 586 D HA -0.159 4.483 4.640 0.003 0.000 0.194 586 D C 2.065 178.477 176.300 0.188 0.000 0.994 586 D CA 2.048 56.191 54.000 0.238 0.000 0.830 586 D CB -0.851 40.043 40.800 0.157 0.000 0.959 586 D HN 0.023 nan 8.370 nan 0.000 0.452 587 T N 1.206 115.854 114.554 0.157 0.000 2.737 587 T HA -0.120 4.231 4.350 0.003 0.000 0.265 587 T C 1.911 176.686 174.700 0.125 0.000 1.038 587 T CA 0.451 62.622 62.100 0.118 0.000 1.144 587 T CB -0.383 68.540 68.868 0.092 0.000 0.866 587 T HN 0.003 nan 8.240 nan 0.000 0.434 588 L N 1.567 122.878 121.223 0.146 0.000 1.990 588 L HA -0.079 4.263 4.340 0.003 0.000 0.213 588 L C 2.530 179.491 176.870 0.152 0.000 1.072 588 L CA 1.874 56.774 54.840 0.099 0.000 0.755 588 L CB -0.614 41.445 42.059 0.000 0.000 0.889 588 L HN 0.097 nan 8.230 nan 0.000 0.432 589 R N -0.442 120.204 120.500 0.242 0.000 2.091 589 R HA -0.233 4.108 4.340 0.003 0.000 0.238 589 R C 2.470 178.856 176.300 0.143 0.000 1.136 589 R CA 1.952 58.179 56.100 0.212 0.000 0.959 589 R CB -0.294 30.154 30.300 0.247 0.000 0.856 589 R HN 0.435 nan 8.270 nan 0.000 0.437 590 K N 0.305 120.779 120.400 0.124 0.000 2.020 590 K HA -0.201 4.121 4.320 0.003 0.000 0.212 590 K C 1.408 178.042 176.600 0.058 0.000 1.050 590 K CA 2.239 58.575 56.287 0.081 0.000 0.929 590 K CB -0.179 32.364 32.500 0.072 0.000 0.714 590 K HN 0.172 nan 8.250 nan 0.000 0.443 591 D N 0.751 121.199 120.400 0.080 0.000 2.149 591 D HA -0.159 4.482 4.640 0.003 0.000 0.198 591 D C 1.991 178.351 176.300 0.099 0.000 0.990 591 D CA 1.174 55.239 54.000 0.109 0.000 0.839 591 D CB -0.189 40.696 40.800 0.140 0.000 0.948 591 D HN 0.340 nan 8.370 nan 0.000 0.460 592 I N 0.449 121.076 120.570 0.095 0.000 2.179 592 I HA -0.268 3.904 4.170 0.003 0.000 0.242 592 I C 2.473 178.687 176.117 0.161 0.000 1.088 592 I CA 0.960 62.325 61.300 0.109 0.000 1.357 592 I CB -0.203 37.884 38.000 0.145 0.000 1.051 592 I HN -0.033 nan 8.210 nan 0.000 0.409 593 M N 0.048 119.736 119.600 0.146 0.000 2.159 593 M HA -0.210 4.272 4.480 0.003 0.000 0.263 593 M C 2.306 178.649 176.300 0.070 0.000 1.063 593 M CA 1.620 57.008 55.300 0.147 0.000 1.110 593 M CB -0.368 32.282 32.600 0.084 0.000 1.374 593 M HN 0.056 nan 8.290 nan 0.000 0.411 594 K N 0.025 120.390 120.400 -0.059 0.000 2.031 594 K HA -0.112 4.209 4.320 0.003 0.000 0.205 594 K C 1.297 177.715 176.600 -0.304 0.000 1.049 594 K CA 1.686 57.818 56.287 -0.259 0.000 0.939 594 K CB -0.009 32.196 32.500 -0.491 0.000 0.717 594 K HN 0.436 nan 8.250 nan 0.000 0.438 595 H N -1.622 117.440 119.070 -0.012 0.000 2.729 595 H HA 0.352 4.910 4.556 0.003 0.000 0.263 595 H C 0.477 175.661 175.328 -0.241 0.000 0.961 595 H CA -0.024 55.974 56.048 -0.084 0.000 1.217 595 H CB 1.184 30.902 29.762 -0.074 0.000 1.447 595 H HN 0.423 nan 8.280 nan 0.000 0.496 596 G N 0.643 109.266 108.800 -0.296 0.000 2.757 596 G HA2 -0.123 3.838 3.960 0.003 0.000 0.638 596 G HA3 -0.123 3.838 3.960 0.003 0.000 0.638 596 G C -0.604 173.949 174.900 -0.578 0.000 1.344 596 G CA -0.480 43.959 45.100 -1.102 0.000 0.855 596 G HN 0.584 nan 8.290 nan 0.000 0.537 597 V N -3.050 116.496 119.914 -0.614 0.000 2.864 597 V HA 0.885 5.007 4.120 0.003 0.000 0.314 597 V C 1.307 177.397 176.094 -0.006 0.000 1.073 597 V CA -0.081 62.135 62.300 -0.140 0.000 0.956 597 V CB 1.779 33.639 31.823 0.062 0.000 1.023 597 V HN 1.170 nan 8.190 nan 0.000 0.435 598 R N 1.532 122.060 120.500 0.047 0.000 2.193 598 R HA 0.178 4.520 4.340 0.003 0.000 0.213 598 R C 0.174 176.579 176.300 0.174 0.000 1.055 598 R CA 0.992 57.158 56.100 0.110 0.000 0.995 598 R CB -0.498 29.824 30.300 0.037 0.000 0.893 598 R HN 0.934 nan 8.270 nan 0.000 0.459 599 N N -1.068 117.695 118.700 0.105 0.000 2.354 599 N HA 0.090 4.832 4.740 0.003 0.000 0.287 599 N C 0.161 175.508 175.510 -0.271 0.000 1.016 599 N CA 0.025 53.028 53.050 -0.080 0.000 0.871 599 N CB 2.093 40.562 38.487 -0.030 0.000 1.299 599 N HN 0.002 nan 8.380 nan 0.000 0.482 600 S N 1.943 117.163 115.700 -0.799 0.000 2.400 600 S HA -0.045 4.427 4.470 0.003 0.000 0.232 600 S C 0.442 174.953 174.600 -0.149 0.000 1.025 600 S CA 0.801 58.561 58.200 -0.734 0.000 0.993 600 S CB -0.262 62.535 63.200 -0.672 0.000 0.808 600 S HN 0.472 nan 8.310 nan 0.000 0.478 601 L N -0.454 120.715 121.223 -0.089 0.000 2.469 601 L HA 0.473 4.815 4.340 0.003 0.000 0.256 601 L C 0.588 177.480 176.870 0.036 0.000 1.006 601 L CA -0.068 54.779 54.840 0.012 0.000 0.832 601 L CB 2.375 44.433 42.059 -0.001 0.000 1.421 601 L HN 0.221 nan 8.230 nan 0.000 0.410 602 T N -3.515 111.093 114.554 0.090 0.000 3.010 602 T HA 0.375 4.727 4.350 0.003 0.000 0.253 602 T C 0.253 175.002 174.700 0.081 0.000 0.939 602 T CA -0.153 62.002 62.100 0.092 0.000 0.910 602 T CB 0.518 69.472 68.868 0.144 0.000 1.226 602 T HN 0.226 nan 8.240 nan 0.000 0.508 603 M N 1.713 121.362 119.600 0.083 0.000 2.321 603 M HA 0.782 5.264 4.480 0.003 0.000 0.315 603 M C -1.191 175.135 176.300 0.044 0.000 1.052 603 M CA -0.752 54.590 55.300 0.069 0.000 0.936 603 M CB 1.571 34.211 32.600 0.066 0.000 1.639 603 M HN 0.326 nan 8.290 nan 0.000 0.433 604 A N 4.017 126.871 122.820 0.057 0.000 3.044 604 A HA 0.600 4.922 4.320 0.003 0.000 0.289 604 A C -2.803 174.841 177.584 0.101 0.000 1.236 604 A CA -1.015 51.057 52.037 0.059 0.000 0.871 604 A CB 0.286 19.309 19.000 0.039 0.000 1.424 604 A HN 0.457 nan 8.150 nan 0.000 0.564 605 P HA 0.159 nan 4.420 nan 0.000 0.261 605 P C 0.269 177.801 177.300 0.387 0.000 1.203 605 P CA 0.559 63.815 63.100 0.260 0.000 0.767 605 P CB 0.362 32.172 31.700 0.184 0.000 0.785 606 M N 3.974 123.753 119.600 0.298 0.000 2.811 606 M HA 0.688 5.170 4.480 0.003 0.000 0.303 606 M C -2.881 173.501 176.300 0.138 0.000 1.227 606 M CA -2.997 52.407 55.300 0.173 0.000 0.874 606 M CB 0.142 32.784 32.600 0.071 0.000 1.681 606 M HN -0.094 nan 8.290 nan 0.000 0.500 607 P HA 0.211 nan 4.420 nan 0.000 0.270 607 P C 0.498 177.824 177.300 0.043 0.000 1.242 607 P CA 0.123 63.241 63.100 0.029 0.000 0.768 607 P CB 0.330 32.065 31.700 0.058 0.000 0.820 608 T N 1.351 115.929 114.554 0.040 0.000 2.937 608 T HA 0.154 4.505 4.350 0.003 0.000 0.260 608 T C 1.330 176.056 174.700 0.044 0.000 1.051 608 T CA 0.659 62.790 62.100 0.051 0.000 1.141 608 T CB -0.642 68.266 68.868 0.066 0.000 0.879 608 T HN 0.423 nan 8.240 nan 0.000 0.459 609 A N 1.389 124.233 122.820 0.040 0.000 5.093 609 A HA -0.326 3.995 4.320 0.003 0.000 0.329 609 A C 1.984 179.589 177.584 0.036 0.000 1.836 609 A CA 2.190 54.251 52.037 0.040 0.000 0.707 609 A CB -2.068 16.966 19.000 0.057 0.000 1.389 609 A HN 0.593 nan 8.150 nan 0.000 0.383 610 S N -0.185 115.544 115.700 0.050 0.000 2.496 610 S HA 0.083 4.555 4.470 0.003 0.000 0.224 610 S C 1.822 176.370 174.600 -0.086 0.000 0.996 610 S CA 1.877 60.096 58.200 0.032 0.000 0.927 610 S CB -0.462 62.829 63.200 0.151 0.000 0.774 610 S HN 1.492 nan 8.310 nan 0.000 0.524 611 T N -0.509 114.004 114.554 -0.068 0.000 3.088 611 T HA 0.050 4.402 4.350 0.003 0.000 0.259 611 T C 1.686 176.351 174.700 -0.058 0.000 1.122 611 T CA 0.983 63.012 62.100 -0.119 0.000 1.095 611 T CB -0.145 68.687 68.868 -0.060 0.000 0.930 611 T HN 0.366 nan 8.240 nan 0.000 0.508 612 S N 0.686 116.383 115.700 -0.004 0.000 2.483 612 S HA 0.105 4.576 4.470 0.003 0.000 0.221 612 S C 2.044 176.659 174.600 0.025 0.000 1.030 612 S CA -0.258 57.970 58.200 0.047 0.000 0.925 612 S CB -0.300 62.963 63.200 0.105 0.000 0.795 612 S HN 0.494 nan 8.310 nan 0.000 0.511 613 Q N 1.058 120.868 119.800 0.017 0.000 2.124 613 Q HA 0.075 4.417 4.340 0.003 0.000 0.202 613 Q C 1.961 177.896 176.000 -0.108 0.000 0.977 613 Q CA 1.550 57.389 55.803 0.060 0.000 0.850 613 Q CB -0.493 28.300 28.738 0.092 0.000 0.901 613 Q HN 0.591 nan 8.270 nan 0.000 0.429 614 I N 0.447 120.900 120.570 -0.195 0.000 2.179 614 I HA -0.265 3.907 4.170 0.003 0.000 0.242 614 I C 1.787 177.788 176.117 -0.193 0.000 1.088 614 I CA 1.094 62.217 61.300 -0.294 0.000 1.357 614 I CB -0.143 37.624 38.000 -0.389 0.000 1.051 614 I HN 0.196 nan 8.210 nan 0.000 0.409 615 L N 0.531 121.648 121.223 -0.176 0.000 2.599 615 L HA 0.178 4.520 4.340 0.003 0.000 0.230 615 L C 1.396 177.909 176.870 -0.595 0.000 1.141 615 L CA 0.508 55.181 54.840 -0.278 0.000 0.877 615 L CB -0.940 40.980 42.059 -0.231 0.000 1.009 615 L HN 0.524 nan 8.230 nan 0.000 0.447 616 G N 0.097 108.654 108.800 -0.406 0.000 2.246 616 G HA2 -0.305 3.657 3.960 0.003 0.000 0.273 616 G HA3 -0.305 3.657 3.960 0.003 0.000 0.273 616 G C -0.211 174.538 174.900 -0.252 0.000 1.055 616 G CA -0.035 44.870 45.100 -0.325 0.000 0.851 616 G HN 0.434 nan 8.290 nan 0.000 0.500 617 Y N -0.766 119.598 120.300 0.107 0.000 2.549 617 Y HA 0.461 5.012 4.550 0.003 0.000 0.339 617 Y C 0.843 176.833 175.900 0.151 0.000 1.053 617 Y CA -1.314 56.866 58.100 0.135 0.000 1.105 617 Y CB 1.063 39.580 38.460 0.095 0.000 1.258 617 Y HN 0.101 nan 8.280 nan 0.000 0.478 618 N N 1.772 120.684 118.700 0.355 0.000 2.441 618 N HA -0.087 4.655 4.740 0.003 0.000 0.251 618 N C -0.408 175.204 175.510 0.171 0.000 1.242 618 N CA 0.064 53.267 53.050 0.254 0.000 0.898 618 N CB 0.615 39.246 38.487 0.239 0.000 1.100 618 N HN 0.755 nan 8.380 nan 0.000 0.443 619 E N 2.212 122.475 120.200 0.105 0.000 2.585 619 E HA -0.088 4.263 4.350 0.003 0.000 0.252 619 E C 1.340 177.923 176.600 -0.029 0.000 0.981 619 E CA -0.082 56.337 56.400 0.033 0.000 0.943 619 E CB 0.077 29.773 29.700 -0.006 0.000 0.923 619 E HN 0.784 nan 8.360 nan 0.000 0.486 620 C N 3.723 123.015 119.300 -0.012 0.000 0.714 620 C HA -0.347 4.114 4.460 0.003 0.000 0.043 620 C C 1.394 176.423 174.990 0.064 0.000 0.334 620 C CA 1.455 60.464 59.018 -0.014 0.000 0.563 620 C CB -1.919 25.700 27.740 -0.203 0.000 3.211 620 C HN 0.967 nan 8.230 nan 0.000 1.110 621 F N 1.425 121.496 119.950 0.202 0.000 2.653 621 F HA 0.619 5.148 4.527 0.003 0.000 0.304 621 F C 0.743 176.722 175.800 0.299 0.000 1.092 621 F CA -0.078 58.067 58.000 0.242 0.000 1.279 621 F CB -0.818 38.336 39.000 0.257 0.000 1.044 621 F HN 0.683 nan 8.300 nan 0.000 0.564 622 E N 2.543 122.717 120.200 -0.044 0.000 2.373 622 E HA 0.237 4.589 4.350 0.003 0.000 0.263 622 E C -2.172 174.438 176.600 0.017 0.000 1.073 622 E CA -1.880 54.513 56.400 -0.012 0.000 0.894 622 E CB 0.617 30.242 29.700 -0.124 0.000 1.008 622 E HN 0.021 nan 8.360 nan 0.000 0.420 623 P HA 0.008 nan 4.420 nan 0.000 0.279 623 P C -0.999 176.199 177.300 -0.170 0.000 1.282 623 P CA -0.491 62.416 63.100 -0.322 0.000 0.788 623 P CB 0.338 31.559 31.700 -0.798 0.000 1.139 624 V N -2.166 117.705 119.914 -0.072 0.000 2.555 624 V HA 0.182 4.304 4.120 0.003 0.000 0.286 624 V C 1.317 177.353 176.094 -0.096 0.000 1.044 624 V CA 0.532 62.824 62.300 -0.013 0.000 1.026 624 V CB -0.209 31.623 31.823 0.014 0.000 0.981 624 V HN 0.765 nan 8.190 nan 0.000 0.480 625 T N 0.873 115.436 114.554 0.015 0.000 2.985 625 T HA 0.118 4.470 4.350 0.003 0.000 0.266 625 T C 0.858 175.635 174.700 0.130 0.000 1.076 625 T CA 0.885 62.971 62.100 -0.023 0.000 1.135 625 T CB -0.007 68.923 68.868 0.103 0.000 0.890 625 T HN 1.084 nan 8.240 nan 0.000 0.480 626 S N -0.280 115.449 115.700 0.047 0.000 2.550 626 S HA 0.399 4.871 4.470 0.003 0.000 0.270 626 S C -0.698 173.725 174.600 -0.295 0.000 1.145 626 S CA -0.880 57.291 58.200 -0.049 0.000 0.852 626 S CB 1.198 64.424 63.200 0.043 0.000 1.119 626 S HN 0.175 nan 8.310 nan 0.000 0.465 627 N N 1.610 120.205 118.700 -0.174 0.000 2.370 627 N HA 0.177 4.919 4.740 0.003 0.000 0.198 627 N C -0.487 174.858 175.510 -0.275 0.000 1.156 627 N CA 0.305 53.223 53.050 -0.221 0.000 0.839 627 N CB 0.013 38.431 38.487 -0.114 0.000 0.989 627 N HN 0.554 nan 8.380 nan 0.000 0.468 628 M N 0.415 119.827 119.600 -0.313 0.000 2.206 628 M HA 0.285 4.767 4.480 0.003 0.000 0.272 628 M C -1.956 174.247 176.300 -0.162 0.000 1.012 628 M CA -0.345 54.836 55.300 -0.198 0.000 0.986 628 M CB 1.520 34.099 32.600 -0.036 0.000 1.740 628 M HN -0.060 nan 8.290 nan 0.000 0.472 629 Y N 2.581 122.824 120.300 -0.096 0.000 2.429 629 Y HA 0.692 5.243 4.550 0.003 0.000 0.342 629 Y C 0.870 176.689 175.900 -0.134 0.000 1.004 629 Y CA -0.826 57.201 58.100 -0.121 0.000 1.075 629 Y CB 2.159 40.505 38.460 -0.189 0.000 1.214 629 Y HN 0.911 nan 8.280 nan 0.000 0.455 639 Q N 2.225 122.194 119.800 0.282 0.000 3.087 639 Q HA 0.457 4.798 4.340 0.003 0.000 0.202 639 Q C -2.551 173.423 176.000 -0.042 0.000 0.763 639 Q CA -0.486 55.388 55.803 0.118 0.000 1.023 639 Q CB 0.925 29.773 28.738 0.183 0.000 1.570 639 Q HN 0.291 nan 8.270 nan 0.000 0.494 640 V N 2.151 122.007 119.914 -0.096 0.000 2.482 640 V HA 0.425 4.547 4.120 0.003 0.000 0.295 640 V C -0.112 175.891 176.094 -0.152 0.000 1.026 640 V CA -0.823 61.378 62.300 -0.165 0.000 0.856 640 V CB 1.641 33.297 31.823 -0.278 0.000 1.001 640 V HN 0.650 nan 8.190 nan 0.000 0.424 641 V N 5.214 125.023 119.914 -0.176 0.000 2.686 641 V HA 0.413 4.535 4.120 0.003 0.000 0.295 641 V C 0.746 176.650 176.094 -0.318 0.000 1.057 641 V CA -0.446 61.713 62.300 -0.235 0.000 1.012 641 V CB 1.628 33.282 31.823 -0.282 0.000 1.006 641 V HN 0.995 nan 8.190 nan 0.000 0.477 642 N N 7.476 125.971 118.700 -0.341 0.000 2.142 642 N HA -0.018 4.723 4.740 0.003 0.000 0.282 642 N C -1.480 173.771 175.510 -0.433 0.000 1.342 642 N CA -0.374 52.451 53.050 -0.375 0.000 0.831 642 N CB 1.141 39.426 38.487 -0.337 0.000 1.083 642 N HN 0.556 nan 8.380 nan 0.000 0.492 643 P HA -0.149 nan 4.420 nan 0.000 0.218 643 P C 0.740 177.815 177.300 -0.375 0.000 1.149 643 P CA 1.539 64.366 63.100 -0.456 0.000 0.817 643 P CB -0.080 31.342 31.700 -0.464 0.000 0.785 644 Y N -0.359 119.885 120.300 -0.093 0.000 2.242 644 Y HA -0.086 4.466 4.550 0.003 0.000 0.291 644 Y C 2.657 178.439 175.900 -0.197 0.000 1.137 644 Y CA -0.039 58.046 58.100 -0.025 0.000 1.181 644 Y CB -1.338 37.226 38.460 0.173 0.000 0.989 644 Y HN -0.129 nan 8.280 nan 0.000 0.527 645 L N 0.288 121.221 121.223 -0.484 0.000 2.027 645 L HA -0.158 4.184 4.340 0.003 0.000 0.206 645 L C 2.231 178.868 176.870 -0.387 0.000 1.074 645 L CA 1.351 55.725 54.840 -0.777 0.000 0.745 645 L CB -0.927 40.586 42.059 -0.911 0.000 0.898 645 L HN 0.266 nan 8.230 nan 0.000 0.433 646 L N 0.023 120.998 121.223 -0.413 0.000 2.013 646 L HA -0.238 4.104 4.340 0.003 0.000 0.212 646 L C 2.698 179.365 176.870 -0.339 0.000 1.073 646 L CA 2.147 56.685 54.840 -0.504 0.000 0.753 646 L CB -0.896 40.792 42.059 -0.620 0.000 0.890 646 L HN 0.376 nan 8.230 nan 0.000 0.432 647 R N -0.043 120.334 120.500 -0.206 0.000 2.120 647 R HA -0.134 4.208 4.340 0.003 0.000 0.234 647 R C 1.803 178.083 176.300 -0.033 0.000 1.123 647 R CA 1.721 57.764 56.100 -0.095 0.000 0.975 647 R CB -0.720 29.565 30.300 -0.026 0.000 0.866 647 R HN 0.490 nan 8.270 nan 0.000 0.446 648 D N -0.371 120.022 120.400 -0.013 0.000 2.194 648 D HA -0.046 4.596 4.640 0.003 0.000 0.204 648 D C 1.712 178.036 176.300 0.040 0.000 0.964 648 D CA 0.921 54.951 54.000 0.050 0.000 0.846 648 D CB 0.047 40.928 40.800 0.135 0.000 0.962 648 D HN 0.270 nan 8.370 nan 0.000 0.490 649 L N 0.067 121.294 121.223 0.007 0.000 2.240 649 L HA -0.031 4.311 4.340 0.003 0.000 0.211 649 L C 2.300 179.230 176.870 0.101 0.000 1.106 649 L CA 0.302 55.183 54.840 0.070 0.000 0.793 649 L CB -0.049 42.082 42.059 0.120 0.000 0.927 649 L HN -0.095 nan 8.230 nan 0.000 0.446 650 V N -0.462 119.477 119.914 0.040 0.000 2.591 650 V HA -0.183 3.939 4.120 0.003 0.000 0.249 650 V C 1.471 177.594 176.094 0.049 0.000 1.053 650 V CA 1.466 63.801 62.300 0.058 0.000 1.068 650 V CB -0.267 31.550 31.823 -0.010 0.000 0.689 650 V HN 0.345 nan 8.190 nan 0.000 0.462 651 D N -0.352 120.069 120.400 0.035 0.000 2.363 651 D HA 0.068 4.710 4.640 0.003 0.000 0.226 651 D C 1.401 177.727 176.300 0.042 0.000 1.020 651 D CA 0.696 54.718 54.000 0.036 0.000 0.892 651 D CB 0.214 41.035 40.800 0.035 0.000 0.900 651 D HN 0.357 nan 8.370 nan 0.000 0.531 652 L N -1.532 119.722 121.223 0.051 0.000 2.858 652 L HA 0.278 4.620 4.340 0.003 0.000 0.251 652 L C 1.349 178.249 176.870 0.051 0.000 1.149 652 L CA -0.056 54.813 54.840 0.048 0.000 0.955 652 L CB 0.536 42.626 42.059 0.051 0.000 1.289 652 L HN 0.011 nan 8.230 nan 0.000 0.542 653 G N 1.774 110.612 108.800 0.064 0.000 2.233 653 G HA2 -0.314 3.648 3.960 0.003 0.000 0.270 653 G HA3 -0.314 3.648 3.960 0.003 0.000 0.270 653 G C 0.883 175.827 174.900 0.074 0.000 1.011 653 G CA 0.944 46.085 45.100 0.070 0.000 0.762 653 G HN 0.608 nan 8.290 nan 0.000 0.511 654 I N -4.441 116.185 120.570 0.094 0.000 3.645 654 I HA 0.320 4.492 4.170 0.003 0.000 0.300 654 I C 1.413 177.589 176.117 0.098 0.000 1.260 654 I CA -0.665 60.677 61.300 0.070 0.000 1.365 654 I CB 0.141 38.169 38.000 0.048 0.000 1.077 654 I HN 0.285 nan 8.210 nan 0.000 0.439 655 W N 5.843 127.132 121.300 -0.019 0.000 2.210 655 W HA 0.265 4.926 4.660 0.003 0.000 0.330 655 W C -0.823 175.689 176.519 -0.012 0.000 1.334 655 W CA 0.633 57.967 57.345 -0.018 0.000 1.227 655 W CB 0.772 30.220 29.460 -0.021 0.000 1.178 655 W HN 0.469 nan 8.180 nan 0.000 0.560 656 D N 1.528 121.375 120.400 -0.922 0.000 4.142 656 D HA 0.011 4.653 4.640 0.003 0.000 0.356 656 D C 0.055 175.868 176.300 -0.811 0.000 1.601 656 D CA -0.404 53.200 54.000 -0.660 0.000 0.970 656 D CB 0.284 40.910 40.800 -0.291 0.000 1.490 656 D HN 0.221 nan 8.370 nan 0.000 0.621 657 E N -0.388 119.555 120.200 -0.427 0.000 2.190 657 E HA 0.229 4.580 4.350 0.003 0.000 0.191 657 E C 1.585 178.033 176.600 -0.254 0.000 0.978 657 E CA 1.002 57.209 56.400 -0.323 0.000 0.839 657 E CB -0.319 29.276 29.700 -0.175 0.000 0.787 657 E HN 0.532 nan 8.360 nan 0.000 0.473 658 G N 0.425 109.098 108.800 -0.212 0.000 3.392 658 G HA2 0.112 4.073 3.960 0.003 0.000 0.247 658 G HA3 0.112 4.073 3.960 0.003 0.000 0.247 658 G C 0.546 175.356 174.900 -0.150 0.000 1.161 658 G CA 0.060 45.079 45.100 -0.136 0.000 1.739 658 G HN 0.131 nan 8.290 nan 0.000 0.619 659 M N -1.324 118.158 119.600 -0.198 0.000 1.510 659 M HA 0.129 4.611 4.480 0.003 0.000 0.180 659 M C 1.885 178.112 176.300 -0.122 0.000 1.059 659 M CA 0.110 55.310 55.300 -0.166 0.000 0.775 659 M CB -0.366 32.047 32.600 -0.312 0.000 1.664 659 M HN 0.309 nan 8.290 nan 0.000 0.630 660 K N 1.100 121.264 120.400 -0.393 0.000 2.063 660 K HA -0.202 4.120 4.320 0.003 0.000 0.208 660 K C 1.796 178.390 176.600 -0.010 0.000 1.048 660 K CA 1.880 58.064 56.287 -0.171 0.000 0.928 660 K CB -0.058 32.298 32.500 -0.240 0.000 0.713 660 K HN 0.340 nan 8.250 nan 0.000 0.442 661 Q N -0.072 119.708 119.800 -0.033 0.000 1.985 661 Q HA -0.262 4.080 4.340 0.003 0.000 0.207 661 Q C 2.063 178.091 176.000 0.046 0.000 0.996 661 Q CA 2.117 57.925 55.803 0.007 0.000 0.851 661 Q CB -0.514 28.224 28.738 -0.001 0.000 0.921 661 Q HN 0.419 nan 8.270 nan 0.000 0.418 662 Y N 0.757 121.037 120.300 -0.034 0.000 2.040 662 Y HA -0.329 4.222 4.550 0.003 0.000 0.275 662 Y C 2.165 178.073 175.900 0.013 0.000 1.171 662 Y CA 2.003 60.097 58.100 -0.010 0.000 1.123 662 Y CB -0.620 37.834 38.460 -0.010 0.000 0.963 662 Y HN 0.246 nan 8.280 nan 0.000 0.493 663 L N 0.246 121.627 121.223 0.262 0.000 2.079 663 L HA -0.236 4.106 4.340 0.003 0.000 0.210 663 L C 2.199 179.095 176.870 0.043 0.000 1.081 663 L CA 1.563 56.516 54.840 0.187 0.000 0.752 663 L CB -1.132 41.084 42.059 0.261 0.000 0.896 663 L HN 0.418 nan 8.230 nan 0.000 0.433 664 I N -0.843 119.748 120.570 0.035 0.000 2.054 664 I HA -0.247 3.924 4.170 0.003 0.000 0.231 664 I C 1.084 177.169 176.117 -0.053 0.000 1.052 664 I CA 1.502 62.807 61.300 0.007 0.000 1.320 664 I CB -0.857 37.158 38.000 0.024 0.000 1.063 664 I HN 0.233 nan 8.210 nan 0.000 0.393 665 T N -0.193 114.311 114.554 -0.083 0.000 4.647 665 T HA 0.111 4.463 4.350 0.003 0.000 0.224 665 T C 0.279 174.834 174.700 -0.242 0.000 0.928 665 T CA 0.117 62.143 62.100 -0.123 0.000 0.969 665 T CB 0.134 68.946 68.868 -0.094 0.000 1.425 665 T HN 0.300 nan 8.240 nan 0.000 1.045 666 Q N 0.966 120.626 119.800 -0.233 0.000 1.753 666 Q HA 0.189 4.531 4.340 0.003 0.000 0.170 666 Q C 0.376 176.289 176.000 -0.144 0.000 0.799 666 Q CA -0.190 55.438 55.803 -0.291 0.000 0.842 666 Q CB -0.301 28.042 28.738 -0.658 0.000 1.238 666 Q HN 0.573 nan 8.270 nan 0.000 0.381 667 N N -0.326 118.323 118.700 -0.085 0.000 2.850 667 N HA -0.180 4.562 4.740 0.003 0.000 0.249 667 N C 0.501 176.027 175.510 0.027 0.000 1.060 667 N CA 1.238 54.271 53.050 -0.029 0.000 0.825 667 N CB -1.046 37.403 38.487 -0.064 0.000 1.132 667 N HN 0.675 nan 8.380 nan 0.000 0.564 668 G N -0.247 108.561 108.800 0.013 0.000 2.187 668 G HA2 -0.331 3.630 3.960 0.003 0.000 0.261 668 G HA3 -0.331 3.630 3.960 0.003 0.000 0.261 668 G C 0.048 174.983 174.900 0.058 0.000 1.000 668 G CA 1.145 46.262 45.100 0.028 0.000 0.718 668 G HN 0.790 nan 8.290 nan 0.000 0.519 669 S N -0.814 114.930 115.700 0.073 0.000 2.610 669 S HA 0.658 5.129 4.470 0.003 0.000 0.273 669 S C 1.484 176.202 174.600 0.196 0.000 1.274 669 S CA -0.082 58.189 58.200 0.117 0.000 1.023 669 S CB 0.809 64.065 63.200 0.094 0.000 0.962 669 S HN 1.060 nan 8.310 nan 0.000 0.523 670 I N 0.399 121.082 120.570 0.188 0.000 4.327 670 I HA 0.345 4.517 4.170 0.003 0.000 0.331 670 I C 0.124 176.339 176.117 0.163 0.000 1.348 670 I CA -0.629 60.790 61.300 0.199 0.000 1.152 670 I CB 0.042 38.140 38.000 0.164 0.000 1.151 670 I HN 0.367 nan 8.210 nan 0.000 0.410 671 Q N 2.655 122.544 119.800 0.149 0.000 2.395 671 Q HA 0.215 4.556 4.340 0.003 0.000 0.271 671 Q C 1.200 177.282 176.000 0.136 0.000 1.026 671 Q CA 1.059 56.933 55.803 0.119 0.000 0.900 671 Q CB 0.333 29.133 28.738 0.103 0.000 1.266 671 Q HN 0.608 nan 8.270 nan 0.000 0.430 672 G N 1.454 110.315 108.800 0.102 0.000 2.153 672 G HA2 -0.277 3.684 3.960 0.003 0.000 0.252 672 G HA3 -0.277 3.684 3.960 0.003 0.000 0.252 672 G C -0.167 174.785 174.900 0.087 0.000 0.994 672 G CA 0.072 45.235 45.100 0.106 0.000 0.698 672 G HN 0.443 nan 8.290 nan 0.000 0.521 673 L N 0.184 121.419 121.223 0.020 0.000 2.264 673 L HA 0.352 4.694 4.340 0.003 0.000 0.289 673 L C -0.646 176.186 176.870 -0.063 0.000 1.044 673 L CA -2.164 52.600 54.840 -0.127 0.000 0.807 673 L CB 1.804 43.742 42.059 -0.202 0.000 1.192 673 L HN -0.097 nan 8.230 nan 0.000 0.425 674 P HA -0.115 nan 4.420 nan 0.000 0.217 674 P C 0.471 177.754 177.300 -0.028 0.000 1.150 674 P CA 1.066 64.144 63.100 -0.036 0.000 0.832 674 P CB 0.155 31.834 31.700 -0.036 0.000 0.787 675 N N -0.237 118.437 118.700 -0.043 0.000 2.597 675 N HA 0.194 4.936 4.740 0.003 0.000 0.269 675 N C -1.140 174.369 175.510 -0.002 0.000 1.204 675 N CA -0.205 52.834 53.050 -0.020 0.000 0.947 675 N CB -0.036 38.437 38.487 -0.023 0.000 1.258 675 N HN -0.187 nan 8.380 nan 0.000 0.508 676 V N 1.827 121.744 119.914 0.006 0.000 2.524 676 V HA 0.389 4.511 4.120 0.003 0.000 0.297 676 V C -2.215 173.903 176.094 0.039 0.000 1.035 676 V CA -1.684 60.634 62.300 0.031 0.000 0.867 676 V CB 1.620 33.466 31.823 0.039 0.000 1.004 676 V HN 0.189 nan 8.190 nan 0.000 0.426 677 P HA 0.115 nan 4.420 nan 0.000 0.269 677 P C 0.573 177.898 177.300 0.043 0.000 1.209 677 P CA -0.076 63.048 63.100 0.040 0.000 0.776 677 P CB 0.770 32.495 31.700 0.042 0.000 0.876 678 Q N 2.803 122.622 119.800 0.031 0.000 2.181 678 Q HA -0.251 4.090 4.340 0.003 0.000 0.205 678 Q C 1.709 177.722 176.000 0.021 0.000 0.980 678 Q CA 2.243 58.062 55.803 0.028 0.000 0.862 678 Q CB -0.572 28.178 28.738 0.019 0.000 0.905 678 Q HN 0.606 nan 8.270 nan 0.000 0.429 679 E N -0.622 119.586 120.200 0.014 0.000 2.204 679 E HA -0.158 4.194 4.350 0.003 0.000 0.195 679 E C 1.654 178.243 176.600 -0.019 0.000 0.990 679 E CA 1.268 57.664 56.400 -0.006 0.000 0.821 679 E CB -0.488 29.207 29.700 -0.008 0.000 0.750 679 E HN 0.456 nan 8.360 nan 0.000 0.477 680 L N 0.352 121.595 121.223 0.033 0.000 2.072 680 L HA -0.039 4.302 4.340 0.003 0.000 0.205 680 L C 2.470 179.402 176.870 0.104 0.000 1.079 680 L CA 1.453 56.347 54.840 0.090 0.000 0.752 680 L CB -0.434 41.747 42.059 0.204 0.000 0.906 680 L HN 0.153 nan 8.230 nan 0.000 0.436 681 K N 0.127 120.585 120.400 0.097 0.000 2.032 681 K HA -0.206 4.116 4.320 0.003 0.000 0.209 681 K C 1.684 178.318 176.600 0.057 0.000 1.048 681 K CA 1.732 58.078 56.287 0.098 0.000 0.927 681 K CB -0.202 32.343 32.500 0.076 0.000 0.712 681 K HN 0.273 nan 8.250 nan 0.000 0.441 682 D N 0.862 121.269 120.400 0.012 0.000 2.117 682 D HA -0.154 4.488 4.640 0.003 0.000 0.197 682 D C 1.830 178.096 176.300 -0.056 0.000 0.987 682 D CA 0.916 54.908 54.000 -0.012 0.000 0.829 682 D CB -0.131 40.653 40.800 -0.027 0.000 0.961 682 D HN 0.038 nan 8.370 nan 0.000 0.460 683 L N -0.736 120.388 121.223 -0.164 0.000 2.240 683 L HA -0.043 4.299 4.340 0.003 0.000 0.211 683 L C 0.576 177.188 176.870 -0.430 0.000 1.106 683 L CA 1.219 55.841 54.840 -0.364 0.000 0.793 683 L CB -0.086 41.608 42.059 -0.610 0.000 0.927 683 L HN 0.013 nan 8.230 nan 0.000 0.446 684 Y N -0.289 120.059 120.300 0.079 0.000 2.722 684 Y HA 0.323 4.875 4.550 0.003 0.000 0.314 684 Y C 0.333 176.270 175.900 0.061 0.000 1.008 684 Y CA -0.898 57.248 58.100 0.077 0.000 1.294 684 Y CB -0.195 38.307 38.460 0.071 0.000 1.231 684 Y HN -0.128 nan 8.280 nan 0.000 0.558 685 K N 0.970 121.452 120.400 0.137 0.000 2.448 685 K HA 0.094 4.416 4.320 0.003 0.000 0.278 685 K C 0.559 177.200 176.600 0.068 0.000 1.009 685 K CA 0.175 56.521 56.287 0.098 0.000 0.995 685 K CB 0.599 33.137 32.500 0.063 0.000 0.917 685 K HN 0.155 nan 8.250 nan 0.000 0.481 686 T N 1.192 115.787 114.554 0.067 0.000 2.868 686 T HA -0.029 4.323 4.350 0.003 0.000 0.292 686 T C 1.389 176.031 174.700 -0.096 0.000 1.028 686 T CA -0.440 61.676 62.100 0.027 0.000 1.059 686 T CB 1.322 70.277 68.868 0.145 0.000 0.991 686 T HN 0.413 nan 8.240 nan 0.000 0.531 687 V N 2.113 121.835 119.914 -0.321 0.000 2.594 687 V HA -0.100 4.021 4.120 0.003 0.000 0.253 687 V C 1.378 177.192 176.094 -0.467 0.000 1.069 687 V CA 1.603 63.548 62.300 -0.591 0.000 1.082 687 V CB -0.599 30.552 31.823 -1.120 0.000 0.680 687 V HN 0.950 nan 8.190 nan 0.000 0.469 688 W N 0.224 121.435 121.300 -0.148 0.000 2.468 688 W HA -0.054 4.608 4.660 0.002 0.000 0.262 688 W C 2.231 178.748 176.519 -0.004 0.000 1.241 688 W CA 0.951 58.286 57.345 -0.018 0.000 1.232 688 W CB -0.047 29.421 29.460 0.014 0.000 1.124 688 W HN 0.302 nan 8.180 nan 0.000 0.597 689 E N -0.508 119.783 120.200 0.152 0.000 2.498 689 E HA 0.152 4.503 4.350 0.003 0.000 0.203 689 E C 0.227 176.865 176.600 0.062 0.000 1.013 689 E CA -0.111 56.358 56.400 0.115 0.000 0.927 689 E CB 0.349 30.114 29.700 0.109 0.000 1.012 689 E HN 0.140 nan 8.360 nan 0.000 0.482 690 I N 1.416 121.994 120.570 0.012 0.000 2.353 690 I HA 0.058 4.230 4.170 0.003 0.000 0.293 690 I C 0.446 176.585 176.117 0.036 0.000 0.992 690 I CA -0.624 60.681 61.300 0.007 0.000 1.268 690 I CB 1.601 39.557 38.000 -0.073 0.000 1.387 690 I HN -0.090 nan 8.210 nan 0.000 0.478 691 S N 5.019 120.754 115.700 0.057 0.000 2.563 691 S HA -0.027 4.445 4.470 0.003 0.000 0.294 691 S C 1.049 175.694 174.600 0.075 0.000 1.279 691 S CA -0.258 57.978 58.200 0.060 0.000 1.069 691 S CB 0.653 63.881 63.200 0.046 0.000 0.828 691 S HN 0.550 nan 8.310 nan 0.000 0.497 692 Q N 3.560 123.408 119.800 0.080 0.000 2.436 692 Q HA -0.003 4.339 4.340 0.003 0.000 0.209 692 Q C 1.764 177.839 176.000 0.125 0.000 0.965 692 Q CA 0.907 56.777 55.803 0.112 0.000 0.910 692 Q CB -0.215 28.592 28.738 0.116 0.000 0.980 692 Q HN 0.844 nan 8.270 nan 0.000 0.491 693 K N -0.038 120.394 120.400 0.055 0.000 2.103 693 K HA -0.043 4.278 4.320 0.003 0.000 0.204 693 K C 1.877 178.573 176.600 0.161 0.000 1.052 693 K CA 1.250 57.541 56.287 0.006 0.000 0.945 693 K CB 0.240 32.622 32.500 -0.197 0.000 0.722 693 K HN -0.000 nan 8.250 nan 0.000 0.443 694 T N 1.722 116.358 114.554 0.137 0.000 2.770 694 T HA -0.048 4.304 4.350 0.003 0.000 0.263 694 T C 1.688 176.528 174.700 0.234 0.000 1.039 694 T CA 1.066 63.268 62.100 0.170 0.000 1.142 694 T CB -0.049 68.910 68.868 0.152 0.000 0.868 694 T HN 0.104 nan 8.240 nan 0.000 0.435 695 I N 1.163 121.879 120.570 0.244 0.000 2.151 695 I HA -0.169 4.003 4.170 0.003 0.000 0.243 695 I C 2.311 178.593 176.117 0.275 0.000 1.080 695 I CA 1.699 63.172 61.300 0.288 0.000 1.339 695 I CB -1.022 37.112 38.000 0.223 0.000 1.039 695 I HN 0.295 nan 8.210 nan 0.000 0.409 696 I N 0.623 121.357 120.570 0.273 0.000 2.353 696 I HA -0.247 3.925 4.170 0.003 0.000 0.248 696 I C 2.229 178.478 176.117 0.221 0.000 1.119 696 I CA 0.832 62.296 61.300 0.272 0.000 1.417 696 I CB -0.414 37.814 38.000 0.380 0.000 1.078 696 I HN 0.250 nan 8.210 nan 0.000 0.421 697 N N 0.819 119.671 118.700 0.253 0.000 2.120 697 N HA -0.145 4.597 4.740 0.003 0.000 0.188 697 N C 1.885 177.451 175.510 0.094 0.000 1.024 697 N CA 1.532 54.683 53.050 0.168 0.000 0.852 697 N CB -0.217 38.379 38.487 0.182 0.000 1.003 697 N HN 0.338 nan 8.380 nan 0.000 0.424 698 M N 0.094 119.767 119.600 0.122 0.000 2.254 698 M HA 0.014 4.496 4.480 0.003 0.000 0.265 698 M C 2.146 178.465 176.300 0.032 0.000 1.066 698 M CA 0.941 56.288 55.300 0.078 0.000 1.123 698 M CB -0.126 32.561 32.600 0.145 0.000 1.388 698 M HN 0.108 nan 8.290 nan 0.000 0.425 699 A N 0.554 123.436 122.820 0.105 0.000 1.898 699 A HA -0.029 4.293 4.320 0.003 0.000 0.216 699 A C 2.369 179.959 177.584 0.011 0.000 1.181 699 A CA 1.809 53.915 52.037 0.115 0.000 0.620 699 A CB -0.843 18.282 19.000 0.210 0.000 0.819 699 A HN 0.473 nan 8.150 nan 0.000 0.442 700 A N 0.201 123.020 122.820 -0.002 0.000 1.933 700 A HA -0.184 4.138 4.320 0.003 0.000 0.218 700 A C 1.745 179.163 177.584 -0.278 0.000 1.175 700 A CA 1.882 53.863 52.037 -0.094 0.000 0.628 700 A CB -0.571 18.427 19.000 -0.003 0.000 0.814 700 A HN 0.483 nan 8.150 nan 0.000 0.444 701 D N -0.042 120.250 120.400 -0.181 0.000 2.087 701 D HA -0.209 4.433 4.640 0.003 0.000 0.192 701 D C 2.219 178.362 176.300 -0.262 0.000 0.993 701 D CA 1.929 55.816 54.000 -0.188 0.000 0.828 701 D CB -0.511 40.239 40.800 -0.083 0.000 0.968 701 D HN 0.752 nan 8.370 nan 0.000 0.448 702 R N 0.793 121.112 120.500 -0.302 0.000 2.148 702 R HA 0.031 4.373 4.340 0.003 0.000 0.227 702 R C 2.001 177.996 176.300 -0.509 0.000 1.103 702 R CA 1.274 57.129 56.100 -0.408 0.000 0.983 702 R CB -0.500 29.165 30.300 -1.058 0.000 0.874 702 R HN -0.084 nan 8.270 nan 0.000 0.451 703 S N 1.389 116.718 115.700 -0.617 0.000 2.442 703 S HA -0.093 4.379 4.470 0.003 0.000 0.236 703 S C 2.050 175.998 174.600 -1.087 0.000 1.007 703 S CA 1.223 59.020 58.200 -0.671 0.000 0.965 703 S CB -0.130 62.765 63.200 -0.509 0.000 0.773 703 S HN 0.464 nan 8.310 nan 0.000 0.504 704 V N -1.219 117.855 119.914 -1.400 0.000 2.867 704 V HA -0.080 4.042 4.120 0.003 0.000 0.260 704 V C 1.270 176.811 176.094 -0.922 0.000 1.099 704 V CA 1.314 62.756 62.300 -1.431 0.000 1.122 704 V CB -1.170 29.971 31.823 -1.135 0.000 0.708 704 V HN 0.591 nan 8.190 nan 0.000 0.490 705 Y N -0.299 119.780 120.300 -0.368 0.000 2.458 705 Y HA 0.508 5.060 4.550 0.003 0.000 0.256 705 Y C 0.833 176.413 175.900 -0.535 0.000 1.159 705 Y CA -0.748 57.178 58.100 -0.289 0.000 1.261 705 Y CB 0.622 39.117 38.460 0.058 0.000 1.119 705 Y HN 0.166 nan 8.280 nan 0.000 0.524 706 I N 1.335 121.701 120.570 -0.339 0.000 2.287 706 I HA 0.040 4.212 4.170 0.003 0.000 0.290 706 I C 0.771 176.777 176.117 -0.185 0.000 1.069 706 I CA -0.659 60.499 61.300 -0.236 0.000 1.237 706 I CB 0.344 38.232 38.000 -0.186 0.000 1.418 706 I HN 0.246 nan 8.210 nan 0.000 0.481 707 D N 3.874 124.143 120.400 -0.219 0.000 2.242 707 D HA -0.223 4.419 4.640 0.003 0.000 0.190 707 D C 1.268 177.570 176.300 0.004 0.000 1.012 707 D CA 1.928 55.889 54.000 -0.065 0.000 0.875 707 D CB 0.639 41.449 40.800 0.016 0.000 0.922 707 D HN 0.634 nan 8.370 nan 0.000 0.448 708 Q N -0.989 118.819 119.800 0.014 0.000 3.079 708 Q HA 0.379 4.721 4.340 0.003 0.000 0.206 708 Q C 0.406 176.446 176.000 0.067 0.000 1.169 708 Q CA -0.459 55.367 55.803 0.038 0.000 0.340 708 Q CB 0.631 29.387 28.738 0.030 0.000 5.757 708 Q HN -0.047 nan 8.270 nan 0.000 0.307 709 S N -1.122 114.622 115.700 0.074 0.000 2.874 709 S HA 0.504 4.976 4.470 0.003 0.000 0.318 709 S C -1.775 172.919 174.600 0.155 0.000 1.109 709 S CA -0.595 57.672 58.200 0.112 0.000 0.878 709 S CB 1.030 64.274 63.200 0.074 0.000 1.307 709 S HN 0.617 nan 8.310 nan 0.000 0.592 710 H N -1.353 117.675 119.070 -0.070 0.000 2.996 710 H HA 0.591 5.149 4.556 0.003 0.000 0.368 710 H C -1.242 174.102 175.328 0.027 0.000 1.185 710 H CA -0.905 55.086 56.048 -0.094 0.000 1.160 710 H CB 0.803 30.334 29.762 -0.384 0.000 1.820 710 H HN 0.292 nan 8.280 nan 0.000 0.547 711 S N 2.919 118.730 115.700 0.185 0.000 2.519 711 S HA 0.042 4.514 4.470 0.003 0.000 0.320 711 S C 0.141 174.954 174.600 0.355 0.000 1.179 711 S CA -0.577 57.667 58.200 0.073 0.000 1.173 711 S CB -0.253 62.862 63.200 -0.142 0.000 1.224 711 S HN 0.484 nan 8.310 nan 0.000 0.542 712 L N 4.598 125.923 121.223 0.169 0.000 2.358 712 L HA 0.225 4.567 4.340 0.003 0.000 0.274 712 L C 0.074 177.090 176.870 0.243 0.000 1.136 712 L CA -0.257 54.727 54.840 0.240 0.000 0.970 712 L CB -0.211 41.884 42.059 0.061 0.000 1.314 712 L HN 0.604 nan 8.230 nan 0.000 0.427 713 N N 2.837 121.703 118.700 0.275 0.000 2.492 713 N HA 0.211 4.952 4.740 0.003 0.000 0.262 713 N C -0.857 174.660 175.510 0.011 0.000 1.202 713 N CA -0.417 52.676 53.050 0.072 0.000 0.926 713 N CB 0.875 39.378 38.487 0.026 0.000 1.078 713 N HN 0.275 nan 8.380 nan 0.000 0.454 714 L N 3.016 124.100 121.223 -0.232 0.000 2.342 714 L HA 0.552 4.894 4.340 0.003 0.000 0.271 714 L C -1.156 175.420 176.870 -0.489 0.000 1.008 714 L CA -0.596 54.163 54.840 -0.134 0.000 0.818 714 L CB 1.163 43.206 42.059 -0.027 0.000 1.296 714 L HN 0.437 nan 8.230 nan 0.000 0.427 715 F N 3.639 123.517 119.950 -0.120 0.000 2.499 715 F HA 0.532 5.061 4.527 0.003 0.000 0.333 715 F C -0.308 175.506 175.800 0.023 0.000 1.138 715 F CA -0.484 57.372 58.000 -0.240 0.000 0.945 715 F CB 1.298 39.869 39.000 -0.716 0.000 1.181 715 F HN 0.067 nan 8.300 nan 0.000 0.435 716 L N 4.119 125.547 121.223 0.341 0.000 2.305 716 L HA 0.484 4.825 4.340 0.003 0.000 0.284 716 L C 1.114 178.270 176.870 0.476 0.000 1.013 716 L CA -0.706 54.339 54.840 0.342 0.000 0.819 716 L CB 1.930 44.101 42.059 0.186 0.000 1.227 716 L HN 0.617 nan 8.230 nan 0.000 0.417 717 R N 3.506 124.249 120.500 0.404 0.000 2.064 717 R HA 0.072 4.414 4.340 0.003 0.000 0.228 717 R C 0.592 176.941 176.300 0.082 0.000 1.144 717 R CA 1.659 57.893 56.100 0.224 0.000 0.932 717 R CB 0.039 30.450 30.300 0.186 0.000 0.833 717 R HN 0.662 nan 8.270 nan 0.000 0.429 718 A N 1.966 124.839 122.820 0.088 0.000 2.923 718 A HA 0.415 4.736 4.320 0.003 0.000 0.343 718 A C -2.417 175.205 177.584 0.064 0.000 1.199 718 A CA -1.579 50.489 52.037 0.051 0.000 0.878 718 A CB 0.166 19.188 19.000 0.037 0.000 1.104 718 A HN 0.243 nan 8.150 nan 0.000 0.483 719 P HA 0.272 nan 4.420 nan 0.000 0.271 719 P C -0.029 177.305 177.300 0.057 0.000 1.216 719 P CA 0.563 63.705 63.100 0.070 0.000 0.771 719 P CB 1.176 32.916 31.700 0.067 0.000 0.864 720 T N -0.631 113.962 114.554 0.064 0.000 2.896 720 T HA 0.370 4.722 4.350 0.003 0.000 0.297 720 T C 1.065 175.811 174.700 0.076 0.000 1.108 720 T CA -0.821 61.319 62.100 0.066 0.000 1.004 720 T CB 1.005 69.915 68.868 0.071 0.000 1.159 720 T HN -0.035 nan 8.240 nan 0.000 0.499 721 M N 1.671 121.321 119.600 0.083 0.000 2.279 721 M HA 0.167 4.649 4.480 0.003 0.000 0.264 721 M C 2.275 178.677 176.300 0.169 0.000 1.062 721 M CA 1.904 57.265 55.300 0.102 0.000 1.099 721 M CB -1.208 31.466 32.600 0.123 0.000 1.394 721 M HN 0.949 nan 8.290 nan 0.000 0.426 722 G N -0.820 108.069 108.800 0.149 0.000 2.394 722 G HA2 -0.166 3.796 3.960 0.003 0.000 0.215 722 G HA3 -0.166 3.796 3.960 0.003 0.000 0.215 722 G C 1.720 176.711 174.900 0.151 0.000 1.165 722 G CA 0.415 45.606 45.100 0.152 0.000 0.784 722 G HN 0.395 nan 8.290 nan 0.000 0.535 723 K N -0.252 120.221 120.400 0.122 0.000 2.063 723 K HA 0.073 4.395 4.320 0.003 0.000 0.208 723 K C 2.414 179.092 176.600 0.130 0.000 1.048 723 K CA 0.704 57.058 56.287 0.111 0.000 0.928 723 K CB -0.281 32.272 32.500 0.089 0.000 0.713 723 K HN 0.236 nan 8.250 nan 0.000 0.442 724 L N 0.720 122.024 121.223 0.134 0.000 2.027 724 L HA -0.173 4.168 4.340 0.003 0.000 0.206 724 L C 2.181 179.226 176.870 0.292 0.000 1.074 724 L CA 1.359 56.268 54.840 0.115 0.000 0.745 724 L CB -0.415 41.697 42.059 0.089 0.000 0.898 724 L HN 0.246 nan 8.230 nan 0.000 0.433 725 T N -1.074 113.753 114.554 0.455 0.000 2.699 725 T HA -0.200 4.151 4.350 0.003 0.000 0.268 725 T C 2.054 177.144 174.700 0.650 0.000 1.036 725 T CA 1.792 64.352 62.100 0.767 0.000 1.147 725 T CB -0.113 69.129 68.868 0.624 0.000 0.862 725 T HN 0.278 nan 8.240 nan 0.000 0.446 726 S N 0.460 116.388 115.700 0.380 0.000 2.371 726 S HA 0.080 4.552 4.470 0.003 0.000 0.224 726 S C 2.023 176.833 174.600 0.351 0.000 1.029 726 S CA 0.878 59.266 58.200 0.313 0.000 0.978 726 S CB -0.320 62.984 63.200 0.174 0.000 0.833 726 S HN 0.423 nan 8.310 nan 0.000 0.466 727 M N 0.655 120.407 119.600 0.253 0.000 2.108 727 M HA -0.175 4.307 4.480 0.003 0.000 0.261 727 M C 1.991 178.453 176.300 0.270 0.000 1.066 727 M CA 1.586 57.005 55.300 0.199 0.000 1.107 727 M CB -0.258 32.374 32.600 0.054 0.000 1.356 727 M HN 0.344 nan 8.290 nan 0.000 0.406 728 H N -0.689 118.629 119.070 0.413 0.000 2.321 728 H HA -0.130 4.428 4.556 0.002 0.000 0.300 728 H C 1.955 177.506 175.328 0.371 0.000 1.087 728 H CA 1.971 58.270 56.048 0.419 0.000 1.319 728 H CB -0.710 29.365 29.762 0.521 0.000 1.379 728 H HN 0.421 nan 8.280 nan 0.000 0.501 729 F N -0.228 120.010 119.950 0.479 0.000 2.234 729 F HA -0.169 4.361 4.527 0.005 0.000 0.299 729 F C 2.567 178.585 175.800 0.363 0.000 1.087 729 F CA 0.691 58.935 58.000 0.408 0.000 1.340 729 F CB -0.657 38.506 39.000 0.273 0.000 1.031 729 F HN 0.079 nan 8.300 nan 0.000 0.500 730 Y N 0.830 121.349 120.300 0.365 0.000 2.070 730 Y HA -0.192 4.359 4.550 0.002 0.000 0.280 730 Y C 2.581 178.587 175.900 0.177 0.000 1.148 730 Y CA 1.668 59.902 58.100 0.223 0.000 1.125 730 Y CB -1.041 37.530 38.460 0.185 0.000 0.975 730 Y HN 0.018 nan 8.280 nan 0.000 0.492 731 G N -1.102 107.829 108.800 0.219 0.000 2.440 731 G HA2 -0.355 3.607 3.960 0.003 0.000 0.218 731 G HA3 -0.355 3.607 3.960 0.003 0.000 0.218 731 G C 1.468 176.413 174.900 0.075 0.000 1.154 731 G CA 0.898 46.091 45.100 0.155 0.000 0.767 731 G HN 0.664 nan 8.290 nan 0.000 0.552 732 W N 1.645 122.851 121.300 -0.157 0.000 2.355 732 W HA 0.005 4.666 4.660 0.001 0.000 0.309 732 W C 2.388 178.684 176.519 -0.371 0.000 1.206 732 W CA 1.651 58.661 57.345 -0.559 0.000 1.284 732 W CB 0.063 29.026 29.460 -0.829 0.000 1.145 732 W HN 0.035 nan 8.180 nan 0.000 0.502 733 K N 0.074 120.209 120.400 -0.441 0.000 2.288 733 K HA -0.077 4.244 4.320 0.003 0.000 0.201 733 K C 1.603 177.954 176.600 -0.414 0.000 1.048 733 K CA 0.732 56.688 56.287 -0.552 0.000 0.956 733 K CB -0.227 32.103 32.500 -0.284 0.000 0.746 733 K HN 0.065 nan 8.250 nan 0.000 0.461 734 K N 0.068 120.263 120.400 -0.341 0.000 2.555 734 K HA -0.019 4.303 4.320 0.003 0.000 0.193 734 K C 1.006 177.550 176.600 -0.094 0.000 1.032 734 K CA 0.621 56.777 56.287 -0.219 0.000 1.004 734 K CB -0.005 32.364 32.500 -0.218 0.000 0.804 734 K HN 0.415 nan 8.250 nan 0.000 0.496 735 G N 1.490 110.124 108.800 -0.277 0.000 2.143 735 G HA2 -0.260 3.702 3.960 0.003 0.000 0.248 735 G HA3 -0.260 3.702 3.960 0.003 0.000 0.248 735 G C 0.136 174.898 174.900 -0.230 0.000 0.991 735 G CA -0.016 44.845 45.100 -0.398 0.000 0.689 735 G HN 0.246 nan 8.290 nan 0.000 0.522 736 L N -0.490 120.752 121.223 0.032 0.000 2.485 736 L HA 0.169 4.511 4.340 0.003 0.000 0.275 736 L C 1.878 178.882 176.870 0.224 0.000 1.207 736 L CA 0.453 55.424 54.840 0.218 0.000 0.855 736 L CB 0.510 42.710 42.059 0.235 0.000 1.114 736 L HN 0.203 nan 8.230 nan 0.000 0.485 737 K N 0.824 121.344 120.400 0.200 0.000 2.044 737 K HA 0.029 4.351 4.320 0.003 0.000 0.204 737 K C 0.433 177.115 176.600 0.137 0.000 1.045 737 K CA 0.792 57.163 56.287 0.140 0.000 0.951 737 K CB 0.053 32.613 32.500 0.099 0.000 0.738 737 K HN 0.537 nan 8.250 nan 0.000 0.443 738 T N 1.021 115.628 114.554 0.088 0.000 2.794 738 T HA 0.149 4.500 4.350 0.003 0.000 0.304 738 T C 0.958 175.709 174.700 0.085 0.000 0.973 738 T CA -0.425 61.696 62.100 0.036 0.000 0.972 738 T CB 1.348 70.200 68.868 -0.028 0.000 0.952 738 T HN 0.374 nan 8.240 nan 0.000 0.509 739 G N 3.032 111.890 108.800 0.097 0.000 2.421 739 G HA2 0.105 4.067 3.960 0.003 0.000 0.217 739 G HA3 0.105 4.067 3.960 0.003 0.000 0.217 739 G C 0.334 175.361 174.900 0.213 0.000 1.143 739 G CA 0.332 45.603 45.100 0.286 0.000 0.784 739 G HN 0.600 nan 8.290 nan 0.000 0.541 740 M N -1.705 117.977 119.600 0.136 0.000 2.346 740 M HA 0.332 4.814 4.480 0.003 0.000 0.287 740 M C -0.946 175.440 176.300 0.143 0.000 1.100 740 M CA -0.888 54.504 55.300 0.154 0.000 0.950 740 M CB 1.188 33.918 32.600 0.216 0.000 1.815 740 M HN 0.062 nan 8.290 nan 0.000 0.497 741 Y N 4.436 124.686 120.300 -0.083 0.000 2.788 741 Y HA 0.373 4.925 4.550 0.003 0.000 0.224 741 Y C -0.871 174.917 175.900 -0.187 0.000 0.961 741 Y CA 0.795 58.693 58.100 -0.337 0.000 1.023 741 Y CB -0.200 38.078 38.460 -0.303 0.000 1.053 741 Y HN 0.591 nan 8.280 nan 0.000 0.465 742 Y N 1.205 121.218 120.300 -0.479 0.000 2.310 742 Y HA 0.322 4.874 4.550 0.003 0.000 0.326 742 Y C -0.111 175.652 175.900 -0.228 0.000 1.151 742 Y CA -0.562 57.371 58.100 -0.278 0.000 1.195 742 Y CB 0.935 39.119 38.460 -0.460 0.000 1.210 742 Y HN 0.217 nan 8.280 nan 0.000 0.483 743 L N 5.540 126.796 121.223 0.055 0.000 2.325 743 L HA 0.407 4.749 4.340 0.003 0.000 0.284 743 L C -0.532 176.286 176.870 -0.087 0.000 1.089 743 L CA -0.158 54.653 54.840 -0.048 0.000 0.836 743 L CB -0.105 41.961 42.059 0.011 0.000 1.184 743 L HN 0.646 nan 8.230 nan 0.000 0.444 744 R N 3.371 123.700 120.500 -0.283 0.000 2.474 744 R HA 0.577 4.919 4.340 0.003 0.000 0.295 744 R C -0.539 175.877 176.300 0.194 0.000 0.980 744 R CA -0.576 55.441 56.100 -0.139 0.000 0.934 744 R CB 2.009 32.100 30.300 -0.347 0.000 1.101 744 R HN 0.566 nan 8.270 nan 0.000 0.469 745 T N 1.057 115.862 114.554 0.418 0.000 2.864 745 T HA 0.384 4.735 4.350 0.003 0.000 0.299 745 T C -1.562 173.246 174.700 0.179 0.000 1.166 745 T CA -0.280 62.032 62.100 0.353 0.000 1.007 745 T CB 1.242 70.200 68.868 0.149 0.000 1.219 745 T HN 0.723 nan 8.240 nan 0.000 0.506 746 Q N 0.000 119.805 119.800 0.008 0.000 2.315 746 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 746 Q CA 0.000 55.714 55.803 -0.148 0.000 1.022 746 Q CB 0.000 28.677 28.738 -0.101 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481