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 1k25_1_B DATA FIRST_RESID 1066 DATA SEQUENCE HQITRTVPAK RGTIYDRNGV PIAEDATSYN VYAVIXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXSFGSKG NGITYANMMA DATA SEQUENCE IKKELETAEV KGIDFTTSPN RSYPNGQFAS SFIGLAQLHE NEDGSKSLLG DATA SEQUENCE TSGMESSLNS ILAGTDGIIT XXXXXXXXXX PGTELVSQQT VDGKDVYTTL DATA SEQUENCE SSPLQSFMET QMDAFLEKVK GKYMTATLVS AKTGEILATT QRPTFNADTK DATA SEQUENCE EGITEDFVWR DILYQSNYEP GSAMKVMTLA SSIDNNTFPS GEYFNXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XNVGMSLLEQ KMGDATWLDY DATA SEQUENCE LKRFKFGVPT RFGLTDEYAG QLPADNIVSI AQSSFGQGIS VTQTQMLRAF DATA SEQUENCE TAIANDGVML EPKFISAIYD TNNQSVRKSQ KEIVGNPVSK EAASTTRNHM DATA SEQUENCE ILVGTXXXXX XXXXXXXXXP IITVPGQNVA VKSGTAQIAD EKNGGYLVGS DATA SEQUENCE TNYIFSAVTM NPAENPDFIL YVTVQQPEHY SGIQLGEFAT PILERASAMK DATA SEQUENCE ESLNLQSPAK NLDKVTTESS YAMPSIKDIS PGELAEALRR NIVQPIVVGT DATA SEQUENCE GTKIKETSVE EGTNLAPNQQ VLLLSDKVEE IPDMYGWKKE TAETFAKWLD DATA SEQUENCE IELEFEGSGS VVQKQDVRTN TAIKNIKKIK LTLG 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 1066 H HA 0.000 nan 4.556 nan 0.000 0.296 1066 H C 0.000 175.332 175.328 0.006 0.000 0.993 1066 H CA 0.000 56.051 56.048 0.005 0.000 1.023 1066 H CB 0.000 29.765 29.762 0.005 0.000 1.292 1067 Q N 0.327 120.105 119.800 -0.036 0.000 2.227 1067 Q HA 0.756 5.096 4.340 -0.000 0.000 0.245 1067 Q C -0.267 175.616 176.000 -0.195 0.000 0.926 1067 Q CA -0.743 54.995 55.803 -0.109 0.000 0.895 1067 Q CB 1.928 30.646 28.738 -0.032 0.000 1.230 1067 Q HN 0.446 nan 8.270 nan 0.000 0.450 1068 I N 0.848 121.329 120.570 -0.149 0.000 2.692 1068 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 1068 I C -0.486 175.591 176.117 -0.066 0.000 1.200 1068 I CA -0.741 60.483 61.300 -0.126 0.000 1.036 1068 I CB 2.504 40.408 38.000 -0.160 0.000 1.258 1068 I HN 0.654 nan 8.210 nan 0.000 0.421 1069 T N 2.629 117.154 114.554 -0.047 0.000 2.929 1069 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 1069 T C -0.405 174.280 174.700 -0.024 0.000 1.014 1069 T CA -0.828 61.254 62.100 -0.030 0.000 1.051 1069 T CB 2.441 71.294 68.868 -0.025 0.000 1.028 1069 T HN 0.643 nan 8.240 nan 0.000 0.485 1070 R N 0.926 121.416 120.500 -0.016 0.000 2.673 1070 R HA 0.510 4.850 4.340 -0.000 0.000 0.281 1070 R C -1.217 175.077 176.300 -0.011 0.000 0.991 1070 R CA -0.604 55.489 56.100 -0.011 0.000 0.896 1070 R CB 2.131 32.431 30.300 -0.001 0.000 1.201 1070 R HN 0.982 nan 8.270 nan 0.000 0.457 1071 T N 0.086 114.631 114.554 -0.015 0.000 2.758 1071 T HA 0.351 4.701 4.350 -0.000 0.000 0.285 1071 T C -0.035 174.658 174.700 -0.012 0.000 0.981 1071 T CA -0.684 61.405 62.100 -0.017 0.000 0.965 1071 T CB 1.408 70.258 68.868 -0.030 0.000 0.927 1071 T HN 0.197 nan 8.240 nan 0.000 0.448 1072 V N 5.789 125.700 119.914 -0.006 0.000 2.356 1072 V HA 0.263 4.383 4.120 -0.000 0.000 0.258 1072 V C -2.156 173.932 176.094 -0.010 0.000 1.065 1072 V CA -1.886 60.415 62.300 0.001 0.000 0.935 1072 V CB 0.062 31.892 31.823 0.013 0.000 1.061 1072 V HN 0.768 nan 8.190 nan 0.000 0.484 1073 P HA 0.104 nan 4.420 nan 0.000 0.258 1073 P C 0.170 177.451 177.300 -0.031 0.000 1.187 1073 P CA 0.470 63.551 63.100 -0.031 0.000 0.767 1073 P CB 0.423 32.097 31.700 -0.043 0.000 0.770 1074 A N 4.240 127.041 122.820 -0.033 0.000 2.406 1074 A HA 0.146 4.466 4.320 -0.000 0.000 0.243 1074 A C 0.462 178.016 177.584 -0.049 0.000 1.082 1074 A CA -0.274 51.741 52.037 -0.036 0.000 0.786 1074 A CB 0.045 19.024 19.000 -0.036 0.000 1.029 1074 A HN 0.471 nan 8.150 nan 0.000 0.495 1075 K N 1.779 122.147 120.400 -0.054 0.000 2.292 1075 K HA 0.138 4.458 4.320 -0.000 0.000 0.290 1075 K C 0.480 177.036 176.600 -0.075 0.000 1.083 1075 K CA -0.321 55.924 56.287 -0.070 0.000 0.918 1075 K CB 0.228 32.684 32.500 -0.074 0.000 1.089 1075 K HN 0.732 nan 8.250 nan 0.000 0.473 1076 R N 2.833 123.285 120.500 -0.080 0.000 2.698 1076 R HA 0.016 4.356 4.340 -0.000 0.000 0.266 1076 R C 0.159 176.396 176.300 -0.104 0.000 1.026 1076 R CA 0.402 56.453 56.100 -0.082 0.000 1.102 1076 R CB 0.375 30.626 30.300 -0.080 0.000 0.978 1076 R HN 0.862 nan 8.270 nan 0.000 0.436 1077 G N 0.951 109.689 108.800 -0.103 0.000 2.667 1077 G HA2 0.145 4.105 3.960 -0.000 0.000 0.250 1077 G HA3 0.145 4.105 3.960 -0.000 0.000 0.250 1077 G C -0.545 174.238 174.900 -0.195 0.000 1.212 1077 G CA -0.246 44.775 45.100 -0.132 0.000 0.874 1077 G HN 0.684 nan 8.290 nan 0.000 0.561 1078 T N -1.653 112.711 114.554 -0.317 0.000 2.823 1078 T HA 0.569 4.919 4.350 -0.000 0.000 0.279 1078 T C 0.100 174.470 174.700 -0.551 0.000 0.998 1078 T CA -0.734 61.097 62.100 -0.448 0.000 0.994 1078 T CB 1.351 69.857 68.868 -0.604 0.000 0.960 1078 T HN 0.334 nan 8.240 nan 0.000 0.448 1079 I N 4.015 124.378 120.570 -0.345 0.000 2.347 1079 I HA 0.222 4.392 4.170 -0.000 0.000 0.294 1079 I C -0.338 175.659 176.117 -0.201 0.000 1.090 1079 I CA -0.592 60.586 61.300 -0.204 0.000 1.314 1079 I CB -0.156 37.831 38.000 -0.022 0.000 1.423 1079 I HN 0.607 nan 8.210 nan 0.000 0.503 1080 Y N 4.595 124.793 120.300 -0.171 0.000 2.418 1080 Y HA 0.245 4.795 4.550 0.000 0.000 0.327 1080 Y C 0.709 176.589 175.900 -0.034 0.000 1.309 1080 Y CA -0.986 56.986 58.100 -0.213 0.000 1.423 1080 Y CB 0.480 38.578 38.460 -0.603 0.000 1.423 1080 Y HN 0.564 nan 8.280 nan 0.000 0.532 1081 D N -0.546 119.989 120.400 0.226 0.000 2.564 1081 D HA 0.142 4.782 4.640 -0.000 0.000 0.273 1081 D C 0.291 176.739 176.300 0.246 0.000 1.192 1081 D CA -0.797 53.353 54.000 0.251 0.000 1.080 1081 D CB 0.313 41.266 40.800 0.255 0.000 1.160 1081 D HN 0.592 nan 8.370 nan 0.000 0.607 1082 R N -0.485 120.159 120.500 0.240 0.000 2.535 1082 R HA 0.157 4.497 4.340 -0.000 0.000 0.233 1082 R C -0.405 176.012 176.300 0.195 0.000 1.202 1082 R CA 0.217 56.455 56.100 0.231 0.000 1.205 1082 R CB -1.129 29.287 30.300 0.193 0.000 1.153 1082 R HN 0.401 nan 8.270 nan 0.000 0.512 1083 N N -1.147 117.664 118.700 0.185 0.000 1.997 1083 N HA 0.115 4.855 4.740 -0.000 0.000 0.225 1083 N C 0.160 175.703 175.510 0.055 0.000 1.383 1083 N CA 0.183 53.303 53.050 0.117 0.000 0.770 1083 N CB 1.656 40.191 38.487 0.079 0.000 1.178 1083 N HN 0.384 nan 8.380 nan 0.000 0.515 1084 G N 0.479 109.269 108.800 -0.017 0.000 2.213 1084 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 1084 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 1084 G C 0.038 174.608 174.900 -0.551 0.000 0.992 1084 G CA -0.063 44.758 45.100 -0.466 0.000 0.632 1084 G HN 0.110 nan 8.290 nan 0.000 0.511 1085 V N 3.098 122.936 119.914 -0.126 0.000 2.450 1085 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 1085 V C -1.328 174.871 176.094 0.175 0.000 1.019 1085 V CA -0.657 61.652 62.300 0.015 0.000 1.062 1085 V CB 0.794 32.646 31.823 0.048 0.000 0.979 1085 V HN 0.151 nan 8.190 nan 0.000 0.477 1086 P HA 0.167 nan 4.420 nan 0.000 0.266 1086 P C 0.548 177.836 177.300 -0.021 0.000 1.195 1086 P CA 0.446 63.646 63.100 0.167 0.000 0.768 1086 P CB 0.729 32.478 31.700 0.082 0.000 0.838 1087 I N 1.245 121.770 120.570 -0.075 0.000 4.033 1087 I HA 0.241 4.411 4.170 -0.000 0.000 0.296 1087 I C 0.447 176.530 176.117 -0.057 0.000 1.210 1087 I CA 0.254 61.458 61.300 -0.161 0.000 1.341 1087 I CB 0.441 38.404 38.000 -0.061 0.000 1.369 1087 I HN 0.248 nan 8.210 nan 0.000 0.453 1088 A N 2.301 125.076 122.820 -0.075 0.000 2.569 1088 A HA 0.566 4.886 4.320 -0.000 0.000 0.282 1088 A C -0.616 176.795 177.584 -0.289 0.000 1.165 1088 A CA -0.450 51.485 52.037 -0.170 0.000 0.747 1088 A CB 0.379 19.453 19.000 0.123 0.000 1.215 1088 A HN 0.309 nan 8.150 nan 0.000 0.431 1089 E N 1.599 121.591 120.200 -0.346 0.000 2.355 1089 E HA 0.524 4.874 4.350 -0.000 0.000 0.261 1089 E C -1.004 175.440 176.600 -0.260 0.000 0.943 1089 E CA -0.963 55.268 56.400 -0.282 0.000 0.806 1089 E CB 1.226 30.795 29.700 -0.219 0.000 1.286 1089 E HN 0.391 nan 8.360 nan 0.000 0.424 1090 D N -0.280 120.003 120.400 -0.196 0.000 2.357 1090 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 1090 D C -0.914 175.305 176.300 -0.135 0.000 1.153 1090 D CA 0.045 53.949 54.000 -0.159 0.000 0.918 1090 D CB 1.344 42.065 40.800 -0.132 0.000 1.181 1090 D HN 0.560 nan 8.370 nan 0.000 0.435 1091 A N 1.677 124.427 122.820 -0.118 0.000 3.367 1091 A HA 0.174 4.494 4.320 -0.000 0.000 0.208 1091 A C 0.085 177.616 177.584 -0.088 0.000 1.043 1091 A CA -0.312 51.673 52.037 -0.086 0.000 1.079 1091 A CB -0.666 18.284 19.000 -0.084 0.000 1.314 1091 A HN 0.518 nan 8.150 nan 0.000 0.668 1092 T N 0.330 114.815 114.554 -0.115 0.000 2.853 1092 T HA 0.510 4.860 4.350 -0.000 0.000 0.298 1092 T C 0.451 175.020 174.700 -0.219 0.000 0.978 1092 T CA 0.583 62.558 62.100 -0.208 0.000 1.152 1092 T CB 0.584 69.276 68.868 -0.293 0.000 0.914 1092 T HN 1.284 nan 8.240 nan 0.000 0.539 1093 S N 2.805 118.356 115.700 -0.247 0.000 2.664 1093 S HA 0.756 5.226 4.470 -0.000 0.000 0.304 1093 S C -1.129 173.296 174.600 -0.291 0.000 1.099 1093 S CA -0.938 57.203 58.200 -0.098 0.000 1.003 1093 S CB 0.800 63.995 63.200 -0.008 0.000 1.092 1093 S HN 0.720 nan 8.310 nan 0.000 0.525 1094 Y N 0.262 120.574 120.300 0.021 0.000 2.772 1094 Y HA 0.618 5.168 4.550 -0.000 0.000 0.324 1094 Y C -0.211 175.745 175.900 0.094 0.000 1.169 1094 Y CA -1.322 56.805 58.100 0.044 0.000 1.198 1094 Y CB 1.200 39.654 38.460 -0.011 0.000 1.402 1094 Y HN 0.763 nan 8.280 nan 0.000 0.577 1095 N N -0.646 118.259 118.700 0.342 0.000 2.478 1095 N HA 0.438 5.178 4.740 -0.000 0.000 0.291 1095 N C -2.003 173.634 175.510 0.211 0.000 1.090 1095 N CA -0.486 52.690 53.050 0.210 0.000 0.911 1095 N CB 2.475 40.992 38.487 0.049 0.000 1.546 1095 N HN 0.381 nan 8.380 nan 0.000 0.500 1096 V N 3.769 123.764 119.914 0.134 0.000 2.481 1096 V HA 0.675 4.795 4.120 -0.000 0.000 0.286 1096 V C -1.136 174.971 176.094 0.022 0.000 1.042 1096 V CA -0.199 61.992 62.300 -0.181 0.000 0.928 1096 V CB 0.366 31.895 31.823 -0.490 0.000 0.986 1096 V HN 0.713 nan 8.190 nan 0.000 0.462 1097 Y N 4.144 124.308 120.300 -0.228 0.000 2.615 1097 Y HA 0.874 5.424 4.550 -0.000 0.000 0.341 1097 Y C 0.247 176.130 175.900 -0.028 0.000 1.089 1097 Y CA -0.683 57.428 58.100 0.018 0.000 1.049 1097 Y CB 1.580 40.069 38.460 0.049 0.000 1.296 1097 Y HN 0.597 nan 8.280 nan 0.000 0.470 1098 A N 0.511 123.384 122.820 0.089 0.000 2.042 1098 A HA 0.513 4.833 4.320 -0.000 0.000 0.207 1098 A C 0.404 177.868 177.584 -0.199 0.000 1.598 1098 A CA 0.607 52.615 52.037 -0.049 0.000 0.818 1098 A CB -0.387 18.736 19.000 0.205 0.000 1.169 1098 A HN 1.119 nan 8.150 nan 0.000 0.548 1099 V N 0.280 120.129 119.914 -0.109 0.000 3.478 1099 V HA -0.178 3.942 4.120 -0.000 0.000 0.490 1099 V C -0.868 175.175 176.094 -0.084 0.000 0.682 1099 V CA 0.607 62.837 62.300 -0.116 0.000 2.029 1099 V CB -1.581 30.116 31.823 -0.209 0.000 2.466 1099 V HN 0.524 nan 8.190 nan 0.000 0.504 1151 F N 1.065 121.039 119.950 0.040 0.000 2.974 1151 F HA 0.484 5.011 4.527 0.000 0.000 0.357 1151 F C 1.213 177.029 175.800 0.027 0.000 1.114 1151 F CA 0.891 58.908 58.000 0.028 0.000 1.099 1151 F CB 0.934 39.949 39.000 0.025 0.000 1.205 1151 F HN 1.117 nan 8.300 nan 0.000 0.535 1152 G N 0.750 109.643 108.800 0.156 0.000 2.512 1152 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.240 1152 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.240 1152 G C 0.906 175.869 174.900 0.105 0.000 1.246 1152 G CA 0.181 45.342 45.100 0.101 0.000 0.919 1152 G HN 0.336 nan 8.290 nan 0.000 0.577 1153 S N 0.316 116.066 115.700 0.083 0.000 2.482 1153 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 1153 S C 2.699 177.348 174.600 0.082 0.000 1.048 1153 S CA 3.708 61.951 58.200 0.072 0.000 1.158 1153 S CB -0.945 62.290 63.200 0.059 0.000 1.130 1153 S HN 2.140 nan 8.310 nan 0.000 0.413 1154 K N 0.568 121.019 120.400 0.085 0.000 2.699 1154 K HA 0.153 4.473 4.320 -0.000 0.000 0.197 1154 K C 1.466 178.124 176.600 0.097 0.000 1.017 1154 K CA 1.313 57.650 56.287 0.083 0.000 1.006 1154 K CB -1.667 30.877 32.500 0.075 0.000 0.819 1154 K HN 0.646 nan 8.250 nan 0.000 0.493 1155 G N -0.217 108.653 108.800 0.115 0.000 2.762 1155 G HA2 0.075 4.035 3.960 -0.000 0.000 0.209 1155 G HA3 0.075 4.035 3.960 -0.000 0.000 0.209 1155 G C 0.544 175.518 174.900 0.122 0.000 1.134 1155 G CA -0.101 45.074 45.100 0.125 0.000 0.781 1155 G HN 0.586 nan 8.290 nan 0.000 0.528 1156 N N 0.219 118.979 118.700 0.100 0.000 2.366 1156 N HA 0.416 5.156 4.740 -0.000 0.000 0.277 1156 N C 1.212 176.778 175.510 0.093 0.000 1.275 1156 N CA 0.448 53.549 53.050 0.084 0.000 0.964 1156 N CB 0.079 38.601 38.487 0.058 0.000 1.167 1156 N HN 0.054 nan 8.380 nan 0.000 0.568 1157 G N -0.086 108.757 108.800 0.072 0.000 2.329 1157 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.282 1157 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.282 1157 G C 0.005 174.968 174.900 0.105 0.000 0.798 1157 G CA 0.413 45.554 45.100 0.068 0.000 0.978 1157 G HN 0.428 nan 8.290 nan 0.000 0.476 1158 I N 0.846 121.508 120.570 0.153 0.000 2.752 1158 I HA 0.070 4.240 4.170 -0.000 0.000 0.287 1158 I C 1.808 178.021 176.117 0.159 0.000 1.188 1158 I CA 0.306 61.687 61.300 0.135 0.000 1.427 1158 I CB 0.397 38.481 38.000 0.140 0.000 1.365 1158 I HN 0.386 nan 8.210 nan 0.000 0.585 1159 T N 2.725 117.337 114.554 0.098 0.000 2.640 1159 T HA -0.120 4.230 4.350 -0.000 0.000 0.316 1159 T C 0.823 175.593 174.700 0.117 0.000 1.036 1159 T CA 0.193 62.368 62.100 0.125 0.000 1.009 1159 T CB 0.388 69.300 68.868 0.073 0.000 1.017 1159 T HN 0.584 nan 8.240 nan 0.000 0.530 1160 Y N 0.755 121.078 120.300 0.039 0.000 2.337 1160 Y HA 0.231 4.780 4.550 -0.000 0.000 0.293 1160 Y C 2.563 178.330 175.900 -0.222 0.000 1.123 1160 Y CA 1.154 59.179 58.100 -0.125 0.000 1.201 1160 Y CB -0.949 37.525 38.460 0.023 0.000 1.011 1160 Y HN 0.810 nan 8.280 nan 0.000 0.545 1161 A N 1.220 123.986 122.820 -0.090 0.000 1.841 1161 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 1161 A C 2.043 179.471 177.584 -0.261 0.000 1.199 1161 A CA 2.118 54.068 52.037 -0.145 0.000 0.621 1161 A CB -0.952 18.037 19.000 -0.017 0.000 0.835 1161 A HN 0.610 nan 8.150 nan 0.000 0.445 1162 N N -0.298 118.287 118.700 -0.192 0.000 2.166 1162 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 1162 N C 1.695 177.032 175.510 -0.288 0.000 1.019 1162 N CA 1.463 54.410 53.050 -0.172 0.000 0.856 1162 N CB -0.554 37.884 38.487 -0.082 0.000 0.993 1162 N HN 0.601 nan 8.380 nan 0.000 0.426 1163 M N -0.131 119.158 119.600 -0.518 0.000 2.267 1163 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 1163 M C 1.558 177.338 176.300 -0.867 0.000 1.063 1163 M CA 1.322 56.019 55.300 -1.005 0.000 1.090 1163 M CB -0.066 31.658 32.600 -1.461 0.000 1.392 1163 M HN 0.029 nan 8.290 nan 0.000 0.422 1164 M N -0.098 119.072 119.600 -0.717 0.000 2.476 1164 M HA 0.178 4.658 4.480 -0.000 0.000 0.262 1164 M C 1.859 177.996 176.300 -0.272 0.000 1.111 1164 M CA 1.168 56.151 55.300 -0.528 0.000 1.127 1164 M CB -0.418 31.808 32.600 -0.623 0.000 1.376 1164 M HN 0.290 nan 8.290 nan 0.000 0.465 1165 A N -0.301 122.386 122.820 -0.221 0.000 1.935 1165 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 1165 A C 2.047 179.590 177.584 -0.068 0.000 1.178 1165 A CA 0.936 52.903 52.037 -0.116 0.000 0.640 1165 A CB -0.702 18.242 19.000 -0.093 0.000 0.825 1165 A HN 0.473 nan 8.150 nan 0.000 0.447 1166 I N -0.383 120.157 120.570 -0.050 0.000 2.286 1166 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 1166 I C 2.425 178.574 176.117 0.053 0.000 1.115 1166 I CA 1.403 62.724 61.300 0.036 0.000 1.392 1166 I CB -0.223 37.883 38.000 0.176 0.000 1.065 1166 I HN 0.295 nan 8.210 nan 0.000 0.418 1167 K N 1.105 121.535 120.400 0.049 0.000 2.044 1167 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 1167 K C 2.456 179.052 176.600 -0.007 0.000 1.049 1167 K CA 1.387 57.704 56.287 0.049 0.000 0.945 1167 K CB -0.278 32.240 32.500 0.029 0.000 0.724 1167 K HN 0.185 nan 8.250 nan 0.000 0.440 1168 K N 1.937 122.312 120.400 -0.042 0.000 2.520 1168 K HA -0.215 4.105 4.320 -0.000 0.000 0.197 1168 K C 1.571 178.156 176.600 -0.024 0.000 1.044 1168 K CA 1.968 58.232 56.287 -0.039 0.000 0.938 1168 K CB -0.644 31.822 32.500 -0.056 0.000 0.767 1168 K HN 0.469 nan 8.250 nan 0.000 0.481 1169 E N -0.704 119.485 120.200 -0.019 0.000 2.244 1169 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 1169 E C 1.942 178.536 176.600 -0.011 0.000 0.939 1169 E CA 0.125 56.517 56.400 -0.014 0.000 0.884 1169 E CB 0.106 29.798 29.700 -0.014 0.000 0.850 1169 E HN 0.507 nan 8.360 nan 0.000 0.481 1170 L N 0.979 122.196 121.223 -0.010 0.000 2.095 1170 L HA -0.035 4.305 4.340 -0.000 0.000 0.204 1170 L C 2.247 179.112 176.870 -0.009 0.000 1.080 1170 L CA 0.979 55.812 54.840 -0.011 0.000 0.759 1170 L CB -0.370 41.679 42.059 -0.016 0.000 0.914 1170 L HN 0.098 nan 8.230 nan 0.000 0.439 1171 E N -0.092 120.104 120.200 -0.006 0.000 2.187 1171 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 1171 E C 0.836 177.433 176.600 -0.006 0.000 1.004 1171 E CA 1.607 58.004 56.400 -0.005 0.000 0.813 1171 E CB -0.222 29.475 29.700 -0.004 0.000 0.736 1171 E HN 0.485 nan 8.360 nan 0.000 0.468 1172 T N -2.397 112.153 114.554 -0.007 0.000 3.471 1172 T HA 0.656 5.006 4.350 -0.000 0.000 0.355 1172 T C 0.195 174.891 174.700 -0.006 0.000 1.775 1172 T CA -0.048 62.048 62.100 -0.007 0.000 1.305 1172 T CB 1.018 69.881 68.868 -0.007 0.000 1.171 1172 T HN 0.127 nan 8.240 nan 0.000 0.776 1173 A N -0.569 122.247 122.820 -0.006 0.000 2.407 1173 A HA 0.505 4.825 4.320 -0.000 0.000 0.220 1173 A C 0.734 178.314 177.584 -0.007 0.000 2.888 1173 A CA 0.993 53.026 52.037 -0.006 0.000 1.579 1173 A CB -1.449 17.547 19.000 -0.006 0.000 0.161 1173 A HN 1.744 nan 8.150 nan 0.000 0.557 1174 E N -1.244 118.952 120.200 -0.007 0.000 2.857 1174 E HA 0.071 4.421 4.350 -0.000 0.000 0.341 1174 E C 1.530 178.123 176.600 -0.012 0.000 1.399 1174 E CA 1.507 57.901 56.400 -0.008 0.000 1.280 1174 E CB -2.808 nan 29.700 nan 0.000 1.773 1174 E HN 2.092 nan 8.360 nan 0.000 0.549 1175 V N -1.144 118.762 119.914 -0.013 0.000 5.842 1175 V HA 0.212 4.332 4.120 -0.000 0.000 0.251 1175 V C 0.403 176.483 176.094 -0.024 0.000 0.667 1175 V CA 2.659 64.948 62.300 -0.018 0.000 0.844 1175 V CB -2.877 28.935 31.823 -0.018 0.000 0.924 1175 V HN 2.118 nan 8.190 nan 0.000 0.443 1176 K N 1.320 121.705 120.400 -0.026 0.000 2.296 1176 K HA 0.732 5.052 4.320 -0.000 0.000 0.257 1176 K C 1.033 177.605 176.600 -0.046 0.000 1.088 1176 K CA 0.403 56.671 56.287 -0.031 0.000 0.980 1176 K CB 1.391 33.877 32.500 -0.024 0.000 1.430 1176 K HN 1.765 nan 8.250 nan 0.000 0.441 1177 G N 0.788 109.548 108.800 -0.066 0.000 4.187 1177 G HA2 0.126 4.086 3.960 -0.000 0.000 0.174 1177 G HA3 0.126 4.086 3.960 -0.000 0.000 0.174 1177 G C -0.048 174.761 174.900 -0.152 0.000 0.947 1177 G CA -0.288 44.753 45.100 -0.097 0.000 0.940 1177 G HN 0.466 nan 8.290 nan 0.000 0.410 1178 I N 2.539 123.021 120.570 -0.146 0.000 2.754 1178 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 1178 I C -0.061 175.905 176.117 -0.252 0.000 1.166 1178 I CA 0.513 61.672 61.300 -0.235 0.000 1.417 1178 I CB 0.514 38.367 38.000 -0.244 0.000 1.382 1178 I HN 0.214 nan 8.210 nan 0.000 0.588 1179 D N 3.612 123.790 120.400 -0.370 0.000 2.921 1179 D HA 0.559 5.199 4.640 -0.000 0.000 0.329 1179 D C -1.223 174.837 176.300 -0.400 0.000 1.293 1179 D CA -0.123 53.765 54.000 -0.185 0.000 0.964 1179 D CB 1.992 42.788 40.800 -0.007 0.000 1.435 1179 D HN 0.198 nan 8.370 nan 0.000 0.548 1180 F N -0.310 119.833 119.950 0.323 0.000 2.754 1180 F HA 0.436 4.963 4.527 0.000 0.000 0.320 1180 F C -0.434 175.421 175.800 0.091 0.000 1.156 1180 F CA -0.574 57.538 58.000 0.187 0.000 0.950 1180 F CB 2.156 41.215 39.000 0.099 0.000 1.388 1180 F HN 0.131 nan 8.300 nan 0.000 0.485 1181 T N -1.731 112.965 114.554 0.237 0.000 3.050 1181 T HA 0.357 4.707 4.350 -0.000 0.000 0.310 1181 T C -0.819 173.950 174.700 0.115 0.000 0.978 1181 T CA -0.704 61.432 62.100 0.061 0.000 1.013 1181 T CB 0.905 69.658 68.868 -0.193 0.000 1.000 1181 T HN 0.487 nan 8.240 nan 0.000 0.447 1182 T N 3.780 118.397 114.554 0.106 0.000 2.769 1182 T HA 0.397 4.747 4.350 -0.000 0.000 0.293 1182 T C 0.555 175.168 174.700 -0.146 0.000 0.931 1182 T CA -0.049 62.003 62.100 -0.080 0.000 1.139 1182 T CB 0.030 68.890 68.868 -0.013 0.000 0.881 1182 T HN 0.899 nan 8.240 nan 0.000 0.532 1183 S N 5.174 120.735 115.700 -0.233 0.000 2.601 1183 S HA 0.521 4.991 4.470 -0.000 0.000 0.312 1183 S C -2.925 171.562 174.600 -0.188 0.000 1.107 1183 S CA -1.626 56.480 58.200 -0.155 0.000 1.129 1183 S CB 1.071 64.208 63.200 -0.105 0.000 0.982 1183 S HN 0.249 nan 8.310 nan 0.000 0.469 1184 P HA 0.452 nan 4.420 nan 0.000 0.271 1184 P C -0.394 176.847 177.300 -0.099 0.000 1.218 1184 P CA -0.177 62.841 63.100 -0.137 0.000 0.780 1184 P CB 0.620 32.258 31.700 -0.104 0.000 0.901 1185 N N 0.968 119.608 118.700 -0.099 0.000 3.243 1185 N HA 0.620 5.360 4.740 -0.000 0.000 0.280 1185 N C -1.420 174.033 175.510 -0.094 0.000 1.545 1185 N CA -0.684 52.322 53.050 -0.073 0.000 0.854 1185 N CB 1.226 39.677 38.487 -0.060 0.000 1.612 1185 N HN 0.047 nan 8.380 nan 0.000 0.577 1186 R N -0.523 119.920 120.500 -0.096 0.000 2.888 1186 R HA 0.766 5.106 4.340 -0.000 0.000 0.266 1186 R C -1.529 174.617 176.300 -0.257 0.000 1.020 1186 R CA -0.627 55.355 56.100 -0.196 0.000 0.963 1186 R CB 1.532 31.712 30.300 -0.200 0.000 1.197 1186 R HN 0.533 nan 8.270 nan 0.000 0.481 1187 S N 1.133 116.556 115.700 -0.461 0.000 2.547 1187 S HA 0.568 5.038 4.470 -0.000 0.000 0.281 1187 S C -1.769 172.454 174.600 -0.629 0.000 1.118 1187 S CA -0.496 57.472 58.200 -0.385 0.000 0.947 1187 S CB 0.755 63.826 63.200 -0.215 0.000 1.053 1187 S HN 0.516 nan 8.310 nan 0.000 0.482 1188 Y N 3.877 124.163 120.300 -0.023 0.000 2.628 1188 Y HA 0.366 4.916 4.550 -0.000 0.000 0.354 1188 Y C -1.819 174.047 175.900 -0.056 0.000 1.061 1188 Y CA -1.597 56.477 58.100 -0.044 0.000 1.251 1188 Y CB 1.719 40.176 38.460 -0.005 0.000 1.098 1188 Y HN 0.532 nan 8.280 nan 0.000 0.626 1189 P HA -0.169 nan 4.420 nan 0.000 0.221 1189 P C 0.201 177.492 177.300 -0.016 0.000 1.145 1189 P CA 1.558 64.652 63.100 -0.010 0.000 0.795 1189 P CB 0.536 32.211 31.700 -0.040 0.000 0.775 1190 N N -0.990 117.674 118.700 -0.060 0.000 2.299 1190 N HA 0.060 4.800 4.740 -0.000 0.000 0.187 1190 N C 1.568 177.102 175.510 0.040 0.000 1.099 1190 N CA 0.971 53.994 53.050 -0.045 0.000 0.867 1190 N CB 0.398 38.738 38.487 -0.245 0.000 0.974 1190 N HN 0.184 nan 8.380 nan 0.000 0.477 1191 G N 2.076 110.904 108.800 0.047 0.000 2.557 1191 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.292 1191 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.292 1191 G C -0.118 174.785 174.900 0.006 0.000 1.162 1191 G CA 0.208 45.337 45.100 0.048 0.000 0.964 1191 G HN 0.458 nan 8.290 nan 0.000 0.541 1192 Q N 0.794 120.593 119.800 -0.003 0.000 2.348 1192 Q HA 0.519 4.859 4.340 -0.000 0.000 0.251 1192 Q C -1.281 174.769 176.000 0.084 0.000 1.113 1192 Q CA -0.347 55.419 55.803 -0.062 0.000 0.902 1192 Q CB -0.206 28.498 28.738 -0.056 0.000 1.333 1192 Q HN 0.946 nan 8.270 nan 0.000 0.457 1193 F N 3.839 123.711 119.950 -0.129 0.000 2.991 1193 F HA 0.418 4.945 4.527 -0.000 0.000 0.355 1193 F C -0.105 175.677 175.800 -0.030 0.000 1.262 1193 F CA 0.094 58.069 58.000 -0.042 0.000 1.127 1193 F CB 0.653 39.661 39.000 0.013 0.000 1.447 1193 F HN 0.652 nan 8.300 nan 0.000 0.584 1194 A N 3.399 126.182 122.820 -0.062 0.000 2.744 1194 A HA -0.302 4.018 4.320 -0.000 0.000 0.300 1194 A C 1.710 179.382 177.584 0.146 0.000 1.512 1194 A CA 1.435 53.488 52.037 0.027 0.000 0.851 1194 A CB -2.303 16.718 19.000 0.035 0.000 0.987 1194 A HN 1.143 nan 8.150 nan 0.000 0.507 1195 S N -0.497 115.169 115.700 -0.058 0.000 2.400 1195 S HA -0.265 4.205 4.470 -0.000 0.000 0.234 1195 S C 2.049 176.665 174.600 0.028 0.000 1.049 1195 S CA 1.960 59.938 58.200 -0.371 0.000 1.039 1195 S CB -0.346 62.098 63.200 -1.261 0.000 0.856 1195 S HN 0.979 nan 8.310 nan 0.000 0.465 1196 S N 0.717 116.551 115.700 0.223 0.000 2.377 1196 S HA 0.097 4.567 4.470 -0.000 0.000 0.223 1196 S C 1.421 176.297 174.600 0.459 0.000 1.030 1196 S CA 0.471 58.942 58.200 0.452 0.000 0.970 1196 S CB -0.393 63.018 63.200 0.350 0.000 0.830 1196 S HN 0.445 nan 8.310 nan 0.000 0.473 1197 F N 3.326 123.406 119.950 0.218 0.000 1.990 1197 F HA -0.110 4.417 4.527 0.000 0.000 0.294 1197 F C 2.054 177.988 175.800 0.222 0.000 1.177 1197 F CA 0.999 59.124 58.000 0.208 0.000 1.167 1197 F CB -0.781 38.313 39.000 0.157 0.000 0.971 1197 F HN 0.016 nan 8.300 nan 0.000 0.483 1198 I N 0.237 121.001 120.570 0.322 0.000 2.087 1198 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 1198 I C 1.828 178.074 176.117 0.215 0.000 1.054 1198 I CA 1.878 63.312 61.300 0.224 0.000 1.311 1198 I CB -2.198 35.982 38.000 0.301 0.000 1.024 1198 I HN 0.480 nan 8.210 nan 0.000 0.402 1199 G N 0.695 109.668 108.800 0.289 0.000 2.482 1199 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.214 1199 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.214 1199 G C -0.657 174.411 174.900 0.281 0.000 1.271 1199 G CA -0.201 45.107 45.100 0.345 0.000 0.944 1199 G HN 0.301 nan 8.290 nan 0.000 0.568 1200 L N -0.237 121.131 121.223 0.242 0.000 2.415 1200 L HA 0.784 5.124 4.340 -0.000 0.000 0.256 1200 L C 0.110 177.099 176.870 0.198 0.000 1.010 1200 L CA -0.649 54.339 54.840 0.246 0.000 0.826 1200 L CB 2.269 44.430 42.059 0.169 0.000 1.405 1200 L HN 1.629 nan 8.230 nan 0.000 0.410 1201 A N 1.548 124.509 122.820 0.235 0.000 2.343 1201 A HA 0.774 5.094 4.320 -0.000 0.000 0.308 1201 A C -1.139 176.500 177.584 0.091 0.000 1.092 1201 A CA -0.461 51.645 52.037 0.115 0.000 0.751 1201 A CB 1.669 20.721 19.000 0.088 0.000 1.203 1201 A HN 0.690 nan 8.150 nan 0.000 0.452 1202 Q N 1.107 120.931 119.800 0.040 0.000 2.458 1202 Q HA 0.578 4.918 4.340 -0.000 0.000 0.282 1202 Q C -1.282 174.735 176.000 0.028 0.000 1.106 1202 Q CA -1.147 54.673 55.803 0.029 0.000 0.814 1202 Q CB 1.969 30.706 28.738 -0.003 0.000 1.425 1202 Q HN 0.614 nan 8.270 nan 0.000 0.437 1203 L N 1.303 122.544 121.223 0.030 0.000 2.456 1203 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 1203 L C -0.097 176.832 176.870 0.099 0.000 1.189 1203 L CA 0.786 55.653 54.840 0.046 0.000 0.846 1203 L CB 0.092 42.166 42.059 0.026 0.000 1.111 1203 L HN 0.527 nan 8.230 nan 0.000 0.475 1204 H N 2.743 121.799 119.070 -0.024 0.000 2.934 1204 H HA 0.203 4.759 4.556 -0.000 0.000 0.340 1204 H C -0.790 174.526 175.328 -0.020 0.000 1.008 1204 H CA -0.891 55.143 56.048 -0.023 0.000 1.317 1204 H CB 1.196 30.943 29.762 -0.025 0.000 1.670 1204 H HN 0.707 nan 8.280 nan 0.000 0.516 1205 E N 5.179 125.452 120.200 0.121 0.000 2.415 1205 E HA -0.044 4.306 4.350 -0.000 0.000 0.260 1205 E C -0.448 176.011 176.600 -0.235 0.000 1.016 1205 E CA -0.380 56.001 56.400 -0.032 0.000 0.924 1205 E CB 0.462 30.185 29.700 0.039 0.000 0.961 1205 E HN 0.547 nan 8.360 nan 0.000 0.459 1206 N N 3.882 122.457 118.700 -0.208 0.000 2.381 1206 N HA -0.040 4.700 4.740 -0.000 0.000 0.254 1206 N C 0.825 176.259 175.510 -0.128 0.000 1.264 1206 N CA -0.162 52.756 53.050 -0.220 0.000 0.942 1206 N CB 0.507 38.908 38.487 -0.144 0.000 1.190 1206 N HN 0.608 nan 8.380 nan 0.000 0.495 1207 E N 0.353 120.491 120.200 -0.102 0.000 2.086 1207 E HA -0.291 4.059 4.350 -0.000 0.000 0.205 1207 E C 0.524 177.101 176.600 -0.039 0.000 1.027 1207 E CA 2.253 58.620 56.400 -0.055 0.000 0.830 1207 E CB -0.128 29.547 29.700 -0.041 0.000 0.751 1207 E HN 0.674 nan 8.360 nan 0.000 0.456 1208 D N -1.416 118.959 120.400 -0.041 0.000 1.585 1208 D HA -0.089 4.551 4.640 -0.000 0.000 0.318 1208 D C 1.507 177.791 176.300 -0.026 0.000 1.129 1208 D CA 1.295 55.277 54.000 -0.029 0.000 0.954 1208 D CB -0.551 40.231 40.800 -0.030 0.000 1.611 1208 D HN 0.186 nan 8.370 nan 0.000 0.555 1209 G N -1.768 107.016 108.800 -0.027 0.000 2.626 1209 G HA2 0.165 4.125 3.960 -0.000 0.000 0.193 1209 G HA3 0.165 4.125 3.960 -0.000 0.000 0.193 1209 G C 0.131 175.016 174.900 -0.024 0.000 1.195 1209 G CA 0.300 45.388 45.100 -0.020 0.000 0.864 1209 G HN 0.588 nan 8.290 nan 0.000 0.790 1210 S N 0.511 116.192 115.700 -0.031 0.000 2.603 1210 S HA 0.601 5.071 4.470 -0.000 0.000 0.268 1210 S C -0.293 174.280 174.600 -0.045 0.000 1.317 1210 S CA -0.280 57.901 58.200 -0.033 0.000 1.012 1210 S CB 1.862 65.043 63.200 -0.032 0.000 0.926 1210 S HN 0.204 nan 8.310 nan 0.000 0.539 1211 K N 0.897 121.275 120.400 -0.036 0.000 2.156 1211 K HA 0.672 4.992 4.320 -0.000 0.000 0.254 1211 K C -0.661 175.917 176.600 -0.037 0.000 0.950 1211 K CA -0.659 55.608 56.287 -0.034 0.000 0.849 1211 K CB 1.919 34.415 32.500 -0.006 0.000 1.100 1211 K HN 0.659 nan 8.250 nan 0.000 0.434 1212 S N 1.023 116.703 115.700 -0.034 0.000 2.667 1212 S HA 0.439 4.909 4.470 -0.000 0.000 0.292 1212 S C -1.105 173.495 174.600 0.001 0.000 1.126 1212 S CA -0.889 57.293 58.200 -0.030 0.000 0.881 1212 S CB 1.006 64.179 63.200 -0.046 0.000 1.132 1212 S HN 0.235 nan 8.310 nan 0.000 0.492 1213 L N 2.182 123.400 121.223 -0.007 0.000 2.380 1213 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 1213 L C -0.279 176.605 176.870 0.023 0.000 1.138 1213 L CA 0.189 55.032 54.840 0.006 0.000 0.832 1213 L CB 0.324 42.373 42.059 -0.017 0.000 1.124 1213 L HN 0.480 nan 8.230 nan 0.000 0.454 1214 L N 1.484 122.731 121.223 0.039 0.000 2.303 1214 L HA 0.676 5.016 4.340 -0.000 0.000 0.256 1214 L C -0.025 176.856 176.870 0.019 0.000 1.034 1214 L CA -0.507 54.359 54.840 0.043 0.000 0.832 1214 L CB 2.191 44.301 42.059 0.085 0.000 1.403 1214 L HN 0.587 nan 8.230 nan 0.000 0.419 1215 G N -0.679 108.126 108.800 0.009 0.000 2.327 1215 G HA2 0.403 4.363 3.960 -0.000 0.000 0.302 1215 G HA3 0.403 4.363 3.960 -0.000 0.000 0.302 1215 G C 0.610 175.484 174.900 -0.043 0.000 1.113 1215 G CA 0.279 45.379 45.100 0.001 0.000 0.921 1215 G HN 0.735 nan 8.290 nan 0.000 0.425 1216 T N -1.453 113.058 114.554 -0.071 0.000 3.086 1216 T HA 0.412 4.762 4.350 -0.000 0.000 0.250 1216 T C 0.896 175.458 174.700 -0.230 0.000 1.074 1216 T CA 0.432 62.427 62.100 -0.174 0.000 0.988 1216 T CB -0.159 68.572 68.868 -0.228 0.000 0.988 1216 T HN 1.531 nan 8.240 nan 0.000 0.530 1217 S N -1.380 114.259 115.700 -0.102 0.000 2.718 1217 S HA 0.478 4.948 4.470 -0.000 0.000 0.271 1217 S C 0.322 174.974 174.600 0.087 0.000 0.999 1217 S CA -0.122 58.056 58.200 -0.036 0.000 0.899 1217 S CB 0.406 63.541 63.200 -0.110 0.000 1.148 1217 S HN 1.695 nan 8.310 nan 0.000 0.463 1218 G N 1.816 110.707 108.800 0.152 0.000 2.598 1218 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.269 1218 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.269 1218 G C 0.829 175.780 174.900 0.084 0.000 1.289 1218 G CA 0.890 46.097 45.100 0.178 0.000 0.926 1218 G HN 1.857 nan 8.290 nan 0.000 0.567 1219 M N -0.849 118.758 119.600 0.012 0.000 2.144 1219 M HA -0.087 4.393 4.480 -0.000 0.000 0.260 1219 M C 2.309 178.633 176.300 0.040 0.000 1.067 1219 M CA 2.995 58.279 55.300 -0.027 0.000 1.095 1219 M CB -0.267 32.276 32.600 -0.096 0.000 1.365 1219 M HN 0.715 nan 8.290 nan 0.000 0.406 1220 E N -0.259 119.988 120.200 0.077 0.000 2.085 1220 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 1220 E C 1.770 178.399 176.600 0.049 0.000 0.994 1220 E CA 1.650 58.098 56.400 0.081 0.000 0.801 1220 E CB -0.145 29.634 29.700 0.132 0.000 0.743 1220 E HN 0.539 nan 8.360 nan 0.000 0.453 1221 S N -1.008 114.719 115.700 0.046 0.000 2.407 1221 S HA -0.145 4.325 4.470 -0.000 0.000 0.192 1221 S C 1.888 176.502 174.600 0.024 0.000 1.169 1221 S CA 1.354 59.569 58.200 0.025 0.000 1.496 1221 S CB -0.801 62.413 63.200 0.022 0.000 0.918 1221 S HN 0.390 nan 8.310 nan 0.000 0.388 1222 S N 1.225 116.943 115.700 0.030 0.000 2.513 1222 S HA -0.242 4.228 4.470 -0.000 0.000 0.311 1222 S C 1.175 175.781 174.600 0.009 0.000 1.227 1222 S CA 2.019 60.233 58.200 0.023 0.000 1.234 1222 S CB -0.959 62.253 63.200 0.020 0.000 1.244 1222 S HN 0.485 nan 8.310 nan 0.000 0.445 1223 L N 2.221 123.448 121.223 0.007 0.000 2.862 1223 L HA 0.264 4.604 4.340 -0.000 0.000 0.240 1223 L C 1.316 178.176 176.870 -0.015 0.000 1.283 1223 L CA 0.239 55.069 54.840 -0.017 0.000 1.117 1223 L CB -1.454 40.590 42.059 -0.026 0.000 1.444 1223 L HN 0.262 nan 8.230 nan 0.000 0.456 1224 N N -0.494 118.202 118.700 -0.005 0.000 2.092 1224 N HA -0.192 4.548 4.740 -0.000 0.000 0.189 1224 N C 2.131 177.633 175.510 -0.012 0.000 1.040 1224 N CA 1.444 54.491 53.050 -0.004 0.000 0.845 1224 N CB 0.187 38.677 38.487 0.006 0.000 1.017 1224 N HN 0.356 nan 8.380 nan 0.000 0.426 1225 S N 0.540 116.235 115.700 -0.008 0.000 2.381 1225 S HA -0.234 4.236 4.470 -0.000 0.000 0.230 1225 S C 2.028 176.614 174.600 -0.023 0.000 1.052 1225 S CA 1.649 59.843 58.200 -0.009 0.000 1.068 1225 S CB -1.169 62.031 63.200 -0.000 0.000 0.918 1225 S HN 0.443 nan 8.310 nan 0.000 0.448 1226 I N 1.037 121.585 120.570 -0.037 0.000 2.286 1226 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 1226 I C 2.436 178.522 176.117 -0.051 0.000 1.115 1226 I CA 1.189 62.456 61.300 -0.054 0.000 1.392 1226 I CB -0.359 37.594 38.000 -0.078 0.000 1.065 1226 I HN 0.266 nan 8.210 nan 0.000 0.418 1227 L N 0.028 121.224 121.223 -0.044 0.000 2.354 1227 L HA 0.097 4.437 4.340 -0.000 0.000 0.212 1227 L C 2.649 179.491 176.870 -0.048 0.000 1.091 1227 L CA 0.536 55.346 54.840 -0.050 0.000 0.828 1227 L CB -0.284 41.749 42.059 -0.044 0.000 0.973 1227 L HN 0.174 nan 8.230 nan 0.000 0.461 1228 A N -0.118 122.681 122.820 -0.035 0.000 2.016 1228 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 1228 A C 1.601 179.165 177.584 -0.034 0.000 1.162 1228 A CA 0.960 52.979 52.037 -0.031 0.000 0.662 1228 A CB -0.549 18.440 19.000 -0.017 0.000 0.812 1228 A HN 0.441 nan 8.150 nan 0.000 0.450 1229 G N -1.398 107.381 108.800 -0.035 0.000 2.566 1229 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.280 1229 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.280 1229 G C 0.058 174.943 174.900 -0.026 0.000 1.225 1229 G CA 0.349 45.428 45.100 -0.035 0.000 0.966 1229 G HN 1.017 nan 8.290 nan 0.000 0.560 1230 T N 1.199 115.737 114.554 -0.026 0.000 2.886 1230 T HA 0.567 4.917 4.350 -0.000 0.000 0.292 1230 T C -0.896 173.790 174.700 -0.023 0.000 1.012 1230 T CA -0.432 61.655 62.100 -0.021 0.000 0.982 1230 T CB 1.857 70.714 68.868 -0.017 0.000 1.018 1230 T HN 0.565 nan 8.240 nan 0.000 0.451 1231 D N 1.317 121.703 120.400 -0.023 0.000 2.283 1231 D HA 0.520 5.160 4.640 -0.000 0.000 0.248 1231 D C 0.679 176.968 176.300 -0.018 0.000 1.072 1231 D CA 0.055 54.041 54.000 -0.023 0.000 0.929 1231 D CB 1.350 42.133 40.800 -0.029 0.000 1.182 1231 D HN 0.624 nan 8.370 nan 0.000 0.433 1232 G N 0.132 108.923 108.800 -0.014 0.000 2.547 1232 G HA2 0.583 4.543 3.960 -0.000 0.000 0.291 1232 G HA3 0.583 4.543 3.960 -0.000 0.000 0.291 1232 G C -0.358 174.536 174.900 -0.011 0.000 1.211 1232 G CA -0.399 44.696 45.100 -0.009 0.000 0.950 1232 G HN 0.479 nan 8.290 nan 0.000 0.504 1233 I N 0.743 121.309 120.570 -0.008 0.000 2.563 1233 I HA 0.238 4.408 4.170 -0.000 0.000 0.281 1233 I C -0.649 175.465 176.117 -0.005 0.000 1.110 1233 I CA -0.223 61.072 61.300 -0.009 0.000 1.073 1233 I CB 1.431 39.425 38.000 -0.011 0.000 1.215 1233 I HN 0.210 nan 8.210 nan 0.000 0.460 1234 I N 4.583 125.151 120.570 -0.003 0.000 2.566 1234 I HA 0.403 4.572 4.170 -0.000 0.000 0.303 1234 I C 0.798 176.912 176.117 -0.005 0.000 0.983 1234 I CA -0.212 61.089 61.300 0.000 0.000 1.235 1234 I CB 2.184 40.188 38.000 0.007 0.000 1.386 1234 I HN 0.513 nan 8.210 nan 0.000 0.494 1247 G N 1.018 109.822 108.800 0.007 0.000 2.323 1247 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.292 1247 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.292 1247 G C 0.399 175.304 174.900 0.007 0.000 1.040 1247 G CA 0.866 45.970 45.100 0.007 0.000 0.942 1247 G HN 1.150 nan 8.290 nan 0.000 0.506 1248 T N -3.487 111.071 114.554 0.007 0.000 3.262 1248 T HA 0.344 4.694 4.350 -0.000 0.000 0.300 1248 T C 0.201 174.904 174.700 0.005 0.000 0.959 1248 T CA -0.107 61.997 62.100 0.006 0.000 0.936 1248 T CB 0.540 69.411 68.868 0.005 0.000 1.169 1248 T HN 0.418 nan 8.240 nan 0.000 0.532 1249 E N 2.027 122.232 120.200 0.007 0.000 1.941 1249 E HA 0.400 4.750 4.350 -0.000 0.000 0.275 1249 E C -0.843 175.762 176.600 0.008 0.000 1.113 1249 E CA -0.434 55.971 56.400 0.008 0.000 0.878 1249 E CB 0.953 30.661 29.700 0.014 0.000 1.070 1249 E HN 0.262 nan 8.360 nan 0.000 0.399 1250 L N 3.572 124.798 121.223 0.005 0.000 2.358 1250 L HA 0.337 4.677 4.340 -0.000 0.000 0.268 1250 L C 0.228 177.100 176.870 0.003 0.000 1.032 1250 L CA -0.449 54.393 54.840 0.004 0.000 0.805 1250 L CB 1.386 43.446 42.059 0.002 0.000 1.253 1250 L HN 0.264 nan 8.230 nan 0.000 0.452 1251 V N -0.247 119.669 119.914 0.003 0.000 6.766 1251 V HA 0.687 4.807 4.120 -0.000 0.000 0.251 1251 V C 0.787 176.880 176.094 -0.001 0.000 1.654 1251 V CA 0.783 63.084 62.300 0.002 0.000 0.631 1251 V CB 0.299 32.124 31.823 0.003 0.000 1.566 1251 V HN 1.202 nan 8.190 nan 0.000 0.354 1252 S N -2.390 113.310 115.700 -0.001 0.000 1.556 1252 S HA -0.092 4.378 4.470 -0.000 0.000 0.243 1252 S C -0.062 174.536 174.600 -0.004 0.000 0.626 1252 S CA 0.356 58.554 58.200 -0.003 0.000 0.979 1252 S CB -0.959 62.239 63.200 -0.004 0.000 0.854 1252 S HN 0.895 nan 8.310 nan 0.000 0.495 1253 Q N 2.604 122.401 119.800 -0.004 0.000 2.464 1253 Q HA 0.385 4.725 4.340 -0.000 0.000 0.256 1253 Q C -1.252 174.745 176.000 -0.005 0.000 1.020 1253 Q CA -0.328 55.471 55.803 -0.006 0.000 0.716 1253 Q CB 1.648 30.381 28.738 -0.008 0.000 1.230 1253 Q HN 0.509 nan 8.270 nan 0.000 0.494 1254 Q N 1.746 121.544 119.800 -0.004 0.000 2.242 1254 Q HA 0.016 4.356 4.340 -0.000 0.000 0.284 1254 Q C 0.420 176.416 176.000 -0.007 0.000 1.130 1254 Q CA 0.271 56.072 55.803 -0.004 0.000 0.940 1254 Q CB 0.087 28.822 28.738 -0.004 0.000 1.146 1254 Q HN 0.562 nan 8.270 nan 0.000 0.388 1255 T N -0.377 114.174 114.554 -0.006 0.000 2.829 1255 T HA 0.260 4.610 4.350 -0.000 0.000 0.293 1255 T C 0.157 174.848 174.700 -0.015 0.000 0.970 1255 T CA -0.626 61.468 62.100 -0.010 0.000 1.168 1255 T CB 0.298 69.163 68.868 -0.006 0.000 0.911 1255 T HN 0.217 nan 8.240 nan 0.000 0.535 1256 V N 4.863 124.765 119.914 -0.020 0.000 2.435 1256 V HA 0.321 4.441 4.120 -0.000 0.000 0.290 1256 V C 0.374 176.447 176.094 -0.036 0.000 1.030 1256 V CA -1.041 61.243 62.300 -0.027 0.000 0.881 1256 V CB 1.588 33.395 31.823 -0.027 0.000 0.983 1256 V HN 0.926 nan 8.190 nan 0.000 0.445 1257 D N 3.217 123.591 120.400 -0.044 0.000 2.345 1257 D HA 0.300 4.940 4.640 -0.000 0.000 0.247 1257 D C 0.479 176.740 176.300 -0.065 0.000 1.108 1257 D CA 0.290 54.258 54.000 -0.054 0.000 0.894 1257 D CB 2.021 42.787 40.800 -0.056 0.000 1.203 1257 D HN 0.704 nan 8.370 nan 0.000 0.430 1258 G N 1.425 110.185 108.800 -0.067 0.000 2.616 1258 G HA2 0.241 4.201 3.960 -0.000 0.000 0.268 1258 G HA3 0.241 4.201 3.960 -0.000 0.000 0.268 1258 G C 0.089 174.937 174.900 -0.087 0.000 1.213 1258 G CA -0.474 44.584 45.100 -0.071 0.000 0.926 1258 G HN 0.302 nan 8.290 nan 0.000 0.523 1259 K N -0.228 120.123 120.400 -0.083 0.000 2.090 1259 K HA 0.296 4.616 4.320 -0.000 0.000 0.250 1259 K C -0.940 175.633 176.600 -0.045 0.000 1.004 1259 K CA -0.452 55.786 56.287 -0.081 0.000 0.919 1259 K CB 0.922 33.380 32.500 -0.070 0.000 1.045 1259 K HN 0.363 nan 8.250 nan 0.000 0.471 1260 D N 1.445 121.863 120.400 0.029 0.000 2.408 1260 D HA 0.153 4.793 4.640 -0.000 0.000 0.243 1260 D C -0.725 175.661 176.300 0.144 0.000 1.075 1260 D CA -0.433 53.582 54.000 0.026 0.000 0.832 1260 D CB 1.856 42.696 40.800 0.067 0.000 1.162 1260 D HN 0.067 nan 8.370 nan 0.000 0.515 1261 V N 3.108 123.044 119.914 0.036 0.000 2.405 1261 V HA 0.045 4.165 4.120 -0.000 0.000 0.264 1261 V C -0.335 175.861 176.094 0.171 0.000 1.048 1261 V CA -0.400 61.959 62.300 0.099 0.000 0.966 1261 V CB -0.566 31.266 31.823 0.015 0.000 1.015 1261 V HN 0.359 nan 8.190 nan 0.000 0.477 1262 Y N 3.895 124.281 120.300 0.144 0.000 2.477 1262 Y HA 0.364 4.914 4.550 -0.000 0.000 0.349 1262 Y C 1.322 177.305 175.900 0.139 0.000 0.977 1262 Y CA -0.436 57.782 58.100 0.196 0.000 1.214 1262 Y CB 0.848 39.404 38.460 0.160 0.000 1.124 1262 Y HN 0.826 nan 8.280 nan 0.000 0.521 1263 T N -2.218 112.493 114.554 0.262 0.000 2.732 1263 T HA 0.099 4.449 4.350 -0.000 0.000 0.287 1263 T C 1.251 176.118 174.700 0.278 0.000 0.993 1263 T CA -0.121 62.134 62.100 0.257 0.000 0.966 1263 T CB 0.910 69.971 68.868 0.321 0.000 1.047 1263 T HN 0.616 nan 8.240 nan 0.000 0.527 1264 T N -0.850 113.889 114.554 0.309 0.000 3.148 1264 T HA 0.245 4.595 4.350 -0.000 0.000 0.253 1264 T C 0.804 175.667 174.700 0.272 0.000 1.134 1264 T CA -0.236 62.029 62.100 0.275 0.000 1.051 1264 T CB -0.635 68.405 68.868 0.286 0.000 0.959 1264 T HN 0.481 nan 8.240 nan 0.000 0.525 1265 L N 1.954 123.364 121.223 0.313 0.000 2.416 1265 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 1265 L C 0.696 177.716 176.870 0.250 0.000 1.161 1265 L CA -0.443 54.565 54.840 0.280 0.000 0.845 1265 L CB 0.774 43.051 42.059 0.365 0.000 1.119 1265 L HN 0.117 nan 8.230 nan 0.000 0.464 1266 S N 1.020 116.839 115.700 0.198 0.000 2.512 1266 S HA 0.149 4.619 4.470 -0.000 0.000 0.291 1266 S C 1.174 175.899 174.600 0.207 0.000 1.151 1266 S CA -0.665 57.643 58.200 0.179 0.000 1.120 1266 S CB 0.665 63.945 63.200 0.134 0.000 1.029 1266 S HN 0.715 nan 8.310 nan 0.000 0.485 1267 S N 6.024 121.898 115.700 0.291 0.000 2.408 1267 S HA -0.143 4.327 4.470 -0.000 0.000 0.241 1267 S C -0.745 174.037 174.600 0.305 0.000 1.080 1267 S CA 2.001 60.447 58.200 0.409 0.000 1.109 1267 S CB -1.130 62.230 63.200 0.267 0.000 0.966 1267 S HN 0.739 nan 8.310 nan 0.000 0.449 1268 P HA -0.015 nan 4.420 nan 0.000 0.218 1268 P C 1.336 178.697 177.300 0.102 0.000 1.149 1268 P CA 0.898 64.071 63.100 0.121 0.000 0.817 1268 P CB -0.010 31.730 31.700 0.067 0.000 0.785 1269 L N -0.728 120.546 121.223 0.084 0.000 2.162 1269 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 1269 L C 2.920 179.819 176.870 0.048 0.000 1.086 1269 L CA 1.362 56.238 54.840 0.059 0.000 0.778 1269 L CB -1.079 40.992 42.059 0.020 0.000 0.928 1269 L HN -0.125 nan 8.230 nan 0.000 0.446 1270 Q N -0.172 119.610 119.800 -0.030 0.000 1.993 1270 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 1270 Q C 2.357 178.238 176.000 -0.199 0.000 0.984 1270 Q CA 2.560 58.209 55.803 -0.256 0.000 0.837 1270 Q CB -0.436 27.873 28.738 -0.716 0.000 0.902 1270 Q HN 0.570 nan 8.270 nan 0.000 0.423 1271 S N -0.226 115.468 115.700 -0.010 0.000 2.372 1271 S HA -0.232 4.238 4.470 -0.000 0.000 0.227 1271 S C 1.888 176.533 174.600 0.075 0.000 1.044 1271 S CA 1.401 59.678 58.200 0.128 0.000 1.050 1271 S CB -1.148 62.209 63.200 0.263 0.000 0.901 1271 S HN 0.498 nan 8.310 nan 0.000 0.447 1272 F N 2.210 122.132 119.950 -0.046 0.000 2.134 1272 F HA 0.011 4.538 4.527 0.000 0.000 0.299 1272 F C 2.498 178.215 175.800 -0.138 0.000 1.097 1272 F CA 1.618 59.568 58.000 -0.084 0.000 1.264 1272 F CB -0.500 38.441 39.000 -0.098 0.000 1.001 1272 F HN 0.251 nan 8.300 nan 0.000 0.479 1273 M N 0.073 119.546 119.600 -0.210 0.000 2.080 1273 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 1273 M C 2.135 178.256 176.300 -0.298 0.000 1.068 1273 M CA 1.930 57.029 55.300 -0.335 0.000 1.109 1273 M CB -0.417 32.078 32.600 -0.174 0.000 1.342 1273 M HN 0.098 nan 8.290 nan 0.000 0.405 1274 E N -0.118 119.967 120.200 -0.191 0.000 2.026 1274 E HA -0.254 4.096 4.350 -0.000 0.000 0.206 1274 E C 1.957 178.479 176.600 -0.130 0.000 1.028 1274 E CA 2.211 58.538 56.400 -0.120 0.000 0.845 1274 E CB -1.079 28.577 29.700 -0.073 0.000 0.772 1274 E HN 0.517 nan 8.360 nan 0.000 0.462 1275 T N 0.960 115.418 114.554 -0.160 0.000 2.778 1275 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 1275 T C 1.762 176.312 174.700 -0.250 0.000 1.050 1275 T CA 1.231 63.235 62.100 -0.161 0.000 1.137 1275 T CB 0.055 68.846 68.868 -0.129 0.000 0.860 1275 T HN 0.061 nan 8.240 nan 0.000 0.468 1276 Q N 0.090 119.608 119.800 -0.471 0.000 2.083 1276 Q HA 0.061 4.401 4.340 -0.000 0.000 0.198 1276 Q C 2.225 178.128 176.000 -0.161 0.000 0.969 1276 Q CA 1.011 56.500 55.803 -0.523 0.000 0.838 1276 Q CB -0.593 27.538 28.738 -1.011 0.000 0.900 1276 Q HN 0.465 nan 8.270 nan 0.000 0.436 1277 M N 1.472 121.054 119.600 -0.030 0.000 2.267 1277 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 1277 M C 0.798 177.230 176.300 0.220 0.000 1.063 1277 M CA 1.466 56.978 55.300 0.353 0.000 1.090 1277 M CB -0.257 32.499 32.600 0.259 0.000 1.392 1277 M HN 0.006 nan 8.290 nan 0.000 0.422 1278 D N -0.245 120.201 120.400 0.078 0.000 2.149 1278 D HA 0.027 4.667 4.640 -0.000 0.000 0.201 1278 D C 1.855 178.190 176.300 0.059 0.000 0.972 1278 D CA 1.526 55.554 54.000 0.046 0.000 0.835 1278 D CB -0.218 40.586 40.800 0.007 0.000 0.966 1278 D HN 0.487 nan 8.370 nan 0.000 0.476 1279 A N 0.277 123.138 122.820 0.067 0.000 2.066 1279 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 1279 A C 1.785 179.472 177.584 0.171 0.000 1.157 1279 A CA 0.462 52.545 52.037 0.076 0.000 0.670 1279 A CB -0.598 18.421 19.000 0.030 0.000 0.804 1279 A HN 0.190 nan 8.150 nan 0.000 0.453 1280 F N -0.186 119.808 119.950 0.072 0.000 2.512 1280 F HA 0.095 4.622 4.527 0.000 0.000 0.296 1280 F C 1.501 177.297 175.800 -0.007 0.000 1.110 1280 F CA 0.508 58.558 58.000 0.084 0.000 1.446 1280 F CB -0.117 39.056 39.000 0.289 0.000 1.092 1280 F HN 0.210 nan 8.300 nan 0.000 0.554 1281 L N 0.368 121.551 121.223 -0.067 0.000 2.068 1281 L HA 0.003 4.343 4.340 -0.000 0.000 0.204 1281 L C 2.241 179.025 176.870 -0.143 0.000 1.076 1281 L CA 1.783 56.508 54.840 -0.193 0.000 0.753 1281 L CB -1.075 40.925 42.059 -0.097 0.000 0.910 1281 L HN -0.075 nan 8.230 nan 0.000 0.439 1282 E N 0.508 120.674 120.200 -0.058 0.000 2.058 1282 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 1282 E C 2.152 178.738 176.600 -0.024 0.000 0.997 1282 E CA 1.433 57.812 56.400 -0.035 0.000 0.801 1282 E CB -0.245 29.450 29.700 -0.008 0.000 0.746 1282 E HN 0.539 nan 8.360 nan 0.000 0.450 1283 K N 0.099 120.492 120.400 -0.012 0.000 2.089 1283 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 1283 K C 2.151 178.761 176.600 0.017 0.000 1.048 1283 K CA 1.643 57.935 56.287 0.009 0.000 0.926 1283 K CB 0.033 32.561 32.500 0.046 0.000 0.714 1283 K HN -0.006 nan 8.250 nan 0.000 0.448 1284 V N -0.260 119.586 119.914 -0.114 0.000 2.911 1284 V HA -0.015 4.105 4.120 -0.000 0.000 0.237 1284 V C -0.146 175.794 176.094 -0.257 0.000 1.156 1284 V CA -0.003 62.192 62.300 -0.174 0.000 1.180 1284 V CB 0.116 31.716 31.823 -0.371 0.000 0.932 1284 V HN 0.237 nan 8.190 nan 0.000 0.483 1285 K N 0.800 121.046 120.400 -0.257 0.000 3.335 1285 K HA -0.117 4.203 4.320 -0.000 0.000 0.271 1285 K C 0.165 176.600 176.600 -0.276 0.000 1.105 1285 K CA 0.786 56.932 56.287 -0.235 0.000 0.799 1285 K CB -2.152 30.226 32.500 -0.203 0.000 1.309 1285 K HN 0.624 nan 8.250 nan 0.000 0.469 1286 G N 0.726 109.350 108.800 -0.293 0.000 2.377 1286 G HA2 0.266 4.226 3.960 -0.000 0.000 0.299 1286 G HA3 0.266 4.226 3.960 -0.000 0.000 0.299 1286 G C 1.053 175.803 174.900 -0.250 0.000 1.150 1286 G CA -0.347 44.588 45.100 -0.275 0.000 0.847 1286 G HN 0.252 nan 8.290 nan 0.000 0.501 1287 K N 0.470 120.698 120.400 -0.287 0.000 2.089 1287 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 1287 K C -0.450 175.830 176.600 -0.533 0.000 1.048 1287 K CA 1.272 57.288 56.287 -0.452 0.000 0.926 1287 K CB -0.158 32.014 32.500 -0.547 0.000 0.714 1287 K HN 0.450 nan 8.250 nan 0.000 0.448 1288 Y N -0.133 120.086 120.300 -0.136 0.000 2.332 1288 Y HA 0.364 4.914 4.550 -0.000 0.000 0.325 1288 Y C -0.387 175.422 175.900 -0.153 0.000 1.054 1288 Y CA -1.020 56.997 58.100 -0.138 0.000 1.119 1288 Y CB 1.596 39.975 38.460 -0.135 0.000 1.168 1288 Y HN -0.096 nan 8.280 nan 0.000 0.439 1289 M N 2.817 122.434 119.600 0.029 0.000 2.528 1289 M HA 0.721 5.201 4.480 -0.000 0.000 0.321 1289 M C -0.603 175.672 176.300 -0.041 0.000 1.153 1289 M CA -0.380 54.887 55.300 -0.055 0.000 0.951 1289 M CB 2.474 35.002 32.600 -0.120 0.000 1.705 1289 M HN 0.586 nan 8.290 nan 0.000 0.451 1290 T N 1.202 115.713 114.554 -0.071 0.000 2.868 1290 T HA 0.854 5.204 4.350 -0.000 0.000 0.306 1290 T C -1.584 173.073 174.700 -0.071 0.000 1.224 1290 T CA -0.710 61.341 62.100 -0.082 0.000 1.012 1290 T CB 2.387 71.160 68.868 -0.159 0.000 1.221 1290 T HN 0.812 nan 8.240 nan 0.000 0.499 1291 A N 1.369 124.176 122.820 -0.023 0.000 2.555 1291 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 1291 A C -0.987 176.619 177.584 0.037 0.000 1.060 1291 A CA -0.748 51.310 52.037 0.034 0.000 0.710 1291 A CB 1.445 20.578 19.000 0.222 0.000 1.282 1291 A HN 0.685 nan 8.150 nan 0.000 0.399 1292 T N 2.077 116.673 114.554 0.070 0.000 3.032 1292 T HA 0.569 4.919 4.350 -0.000 0.000 0.312 1292 T C -1.078 173.687 174.700 0.108 0.000 1.078 1292 T CA -0.303 61.835 62.100 0.064 0.000 1.028 1292 T CB 1.367 70.287 68.868 0.087 0.000 1.091 1292 T HN 0.982 nan 8.240 nan 0.000 0.457 1293 L N 3.891 125.160 121.223 0.077 0.000 2.325 1293 L HA 0.864 5.204 4.340 -0.000 0.000 0.281 1293 L C -1.279 175.676 176.870 0.141 0.000 1.004 1293 L CA -0.631 54.278 54.840 0.115 0.000 0.823 1293 L CB 0.808 42.914 42.059 0.079 0.000 1.236 1293 L HN 0.457 nan 8.230 nan 0.000 0.415 1294 V N 2.867 122.887 119.914 0.177 0.000 2.815 1294 V HA 0.364 4.484 4.120 -0.000 0.000 0.314 1294 V C 0.185 176.391 176.094 0.187 0.000 1.064 1294 V CA -0.696 61.707 62.300 0.171 0.000 0.952 1294 V CB 1.915 33.825 31.823 0.146 0.000 1.020 1294 V HN 0.798 nan 8.190 nan 0.000 0.439 1295 S N 2.445 118.230 115.700 0.142 0.000 2.423 1295 S HA 0.340 4.810 4.470 -0.000 0.000 0.302 1295 S C 1.371 175.971 174.600 -0.001 0.000 1.143 1295 S CA 0.027 58.251 58.200 0.039 0.000 1.080 1295 S CB 0.388 63.615 63.200 0.046 0.000 1.081 1295 S HN 1.045 nan 8.310 nan 0.000 0.522 1296 A N 6.760 129.547 122.820 -0.055 0.000 1.896 1296 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 1296 A C 2.227 179.804 177.584 -0.011 0.000 1.206 1296 A CA 1.622 53.647 52.037 -0.019 0.000 0.647 1296 A CB -0.528 18.442 19.000 -0.050 0.000 0.828 1296 A HN 0.781 nan 8.150 nan 0.000 0.455 1297 K N -0.776 119.591 120.400 -0.055 0.000 2.280 1297 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 1297 K C 1.716 178.322 176.600 0.010 0.000 1.047 1297 K CA 1.805 58.078 56.287 -0.024 0.000 0.942 1297 K CB -0.502 31.968 32.500 -0.050 0.000 0.739 1297 K HN 0.841 nan 8.250 nan 0.000 0.457 1298 T N -5.935 108.633 114.554 0.023 0.000 3.010 1298 T HA 0.259 4.609 4.350 -0.000 0.000 0.253 1298 T C 1.197 175.944 174.700 0.078 0.000 0.939 1298 T CA 0.553 62.682 62.100 0.050 0.000 0.910 1298 T CB 0.759 69.657 68.868 0.050 0.000 1.226 1298 T HN 0.175 nan 8.240 nan 0.000 0.508 1299 G N 1.683 110.535 108.800 0.086 0.000 2.130 1299 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 1299 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 1299 G C -0.424 174.565 174.900 0.148 0.000 0.999 1299 G CA -0.132 45.035 45.100 0.113 0.000 0.686 1299 G HN 0.676 nan 8.290 nan 0.000 0.515 1300 E N -0.150 120.138 120.200 0.147 0.000 2.259 1300 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 1300 E C 0.630 177.351 176.600 0.201 0.000 1.027 1300 E CA -0.647 55.868 56.400 0.190 0.000 0.838 1300 E CB 1.274 31.073 29.700 0.166 0.000 1.066 1300 E HN 0.388 nan 8.360 nan 0.000 0.401 1301 I N 4.794 125.516 120.570 0.252 0.000 2.421 1301 I HA -0.075 4.095 4.170 -0.000 0.000 0.291 1301 I C 1.074 177.302 176.117 0.186 0.000 1.089 1301 I CA 0.192 61.607 61.300 0.192 0.000 1.354 1301 I CB 0.304 38.416 38.000 0.187 0.000 1.413 1301 I HN 0.556 nan 8.210 nan 0.000 0.513 1302 L N 6.242 127.553 121.223 0.147 0.000 2.130 1302 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 1302 L C 0.989 177.905 176.870 0.077 0.000 1.075 1302 L CA 0.548 55.476 54.840 0.147 0.000 0.768 1302 L CB -0.093 42.072 42.059 0.176 0.000 0.933 1302 L HN 0.697 nan 8.230 nan 0.000 0.451 1303 A N -1.317 121.510 122.820 0.011 0.000 2.475 1303 A HA 0.707 5.027 4.320 -0.000 0.000 0.301 1303 A C -0.758 176.746 177.584 -0.133 0.000 1.059 1303 A CA -0.255 51.733 52.037 -0.081 0.000 0.710 1303 A CB 2.004 20.963 19.000 -0.069 0.000 1.288 1303 A HN -0.050 nan 8.150 nan 0.000 0.408 1304 T N 0.032 114.456 114.554 -0.217 0.000 3.047 1304 T HA 0.704 5.054 4.350 -0.000 0.000 0.340 1304 T C -1.235 173.358 174.700 -0.178 0.000 1.421 1304 T CA 0.400 62.365 62.100 -0.224 0.000 1.090 1304 T CB 1.632 70.230 68.868 -0.449 0.000 1.292 1304 T HN 1.782 nan 8.240 nan 0.000 0.480 1305 T N 2.274 116.775 114.554 -0.088 0.000 2.907 1305 T HA 0.574 4.924 4.350 -0.000 0.000 0.344 1305 T C -1.874 172.826 174.700 -0.000 0.000 1.675 1305 T CA -0.467 61.608 62.100 -0.042 0.000 1.076 1305 T CB 1.524 70.358 68.868 -0.057 0.000 1.483 1305 T HN 0.895 nan 8.240 nan 0.000 0.487 1306 Q N 2.085 121.893 119.800 0.013 0.000 3.146 1306 Q HA 0.886 5.226 4.340 -0.000 0.000 0.318 1306 Q C -1.304 174.715 176.000 0.032 0.000 0.992 1306 Q CA -1.256 54.555 55.803 0.012 0.000 0.809 1306 Q CB 1.596 30.326 28.738 -0.013 0.000 1.490 1306 Q HN 0.483 nan 8.270 nan 0.000 0.493 1307 R N -0.150 120.372 120.500 0.037 0.000 2.561 1307 R HA 0.450 4.790 4.340 -0.000 0.000 0.266 1307 R C -2.889 173.466 176.300 0.092 0.000 1.091 1307 R CA -1.789 54.345 56.100 0.057 0.000 0.927 1307 R CB 1.168 31.485 30.300 0.028 0.000 1.240 1307 R HN 0.592 nan 8.270 nan 0.000 0.449 1308 P HA 0.117 nan 4.420 nan 0.000 0.270 1308 P C -0.327 177.090 177.300 0.195 0.000 1.221 1308 P CA 0.307 63.479 63.100 0.119 0.000 0.788 1308 P CB 0.589 32.362 31.700 0.121 0.000 0.904 1309 T N -0.266 114.423 114.554 0.226 0.000 2.696 1309 T HA 0.797 5.147 4.350 -0.000 0.000 0.291 1309 T C -0.946 173.895 174.700 0.236 0.000 1.095 1309 T CA -0.483 61.746 62.100 0.215 0.000 1.026 1309 T CB 1.080 69.972 68.868 0.040 0.000 1.390 1309 T HN 0.448 nan 8.240 nan 0.000 0.513 1310 F N -0.837 119.081 119.950 -0.055 0.000 2.635 1310 F HA 0.573 5.100 4.527 0.000 0.000 0.314 1310 F C -1.187 174.557 175.800 -0.093 0.000 1.119 1310 F CA -1.181 56.726 58.000 -0.156 0.000 1.000 1310 F CB 1.052 39.816 39.000 -0.393 0.000 1.278 1310 F HN 0.430 nan 8.300 nan 0.000 0.446 1311 N N 2.516 121.197 118.700 -0.032 0.000 2.405 1311 N HA 0.230 4.970 4.740 -0.000 0.000 0.260 1311 N C 1.006 176.515 175.510 -0.002 0.000 1.152 1311 N CA 0.753 53.757 53.050 -0.078 0.000 0.948 1311 N CB 1.753 40.244 38.487 0.006 0.000 1.111 1311 N HN 0.987 nan 8.380 nan 0.000 0.485 1312 A N 3.431 126.120 122.820 -0.217 0.000 2.131 1312 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 1312 A C 1.672 179.238 177.584 -0.030 0.000 1.158 1312 A CA 1.546 53.429 52.037 -0.258 0.000 0.665 1312 A CB -0.133 18.268 19.000 -0.998 0.000 0.795 1312 A HN 0.735 nan 8.150 nan 0.000 0.460 1313 D N -1.747 118.728 120.400 0.124 0.000 2.214 1313 D HA -0.067 4.573 4.640 -0.000 0.000 0.217 1313 D C 2.273 178.669 176.300 0.160 0.000 0.973 1313 D CA 1.933 56.080 54.000 0.244 0.000 0.880 1313 D CB 0.044 40.952 40.800 0.181 0.000 1.031 1313 D HN 0.395 nan 8.370 nan 0.000 0.468 1314 T N -2.062 112.555 114.554 0.106 0.000 3.054 1314 T HA 0.062 4.412 4.350 -0.000 0.000 0.259 1314 T C 0.765 175.511 174.700 0.076 0.000 1.092 1314 T CA 0.709 62.857 62.100 0.080 0.000 1.121 1314 T CB 0.073 68.975 68.868 0.056 0.000 0.912 1314 T HN -0.020 nan 8.240 nan 0.000 0.489 1315 K N 0.115 120.573 120.400 0.097 0.000 3.533 1315 K HA -0.142 4.178 4.320 -0.000 0.000 0.289 1315 K C 0.070 176.692 176.600 0.036 0.000 1.317 1315 K CA 1.104 57.441 56.287 0.083 0.000 0.967 1315 K CB -2.097 30.434 32.500 0.052 0.000 1.323 1315 K HN 0.819 nan 8.250 nan 0.000 0.477 1316 E N 0.789 121.012 120.200 0.039 0.000 2.480 1316 E HA 0.199 4.549 4.350 -0.000 0.000 0.258 1316 E C 1.192 177.799 176.600 0.012 0.000 0.984 1316 E CA 1.406 57.817 56.400 0.017 0.000 0.930 1316 E CB -0.015 29.698 29.700 0.021 0.000 0.936 1316 E HN 0.414 nan 8.360 nan 0.000 0.466 1317 G N 4.266 113.054 108.800 -0.021 0.000 2.218 1317 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 1317 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 1317 G C 0.256 175.041 174.900 -0.191 0.000 0.994 1317 G CA -0.030 45.050 45.100 -0.033 0.000 0.637 1317 G HN 0.567 nan 8.290 nan 0.000 0.505 1318 I N 3.551 123.958 120.570 -0.272 0.000 2.282 1318 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 1318 I C 1.352 177.340 176.117 -0.214 0.000 1.090 1318 I CA 0.264 61.266 61.300 -0.497 0.000 1.231 1318 I CB 0.561 38.277 38.000 -0.473 0.000 1.434 1318 I HN 0.343 nan 8.210 nan 0.000 0.487 1319 T N 1.343 115.824 114.554 -0.123 0.000 2.920 1319 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 1319 T C 0.904 175.636 174.700 0.054 0.000 1.093 1319 T CA -0.424 61.674 62.100 -0.002 0.000 0.944 1319 T CB 1.622 70.514 68.868 0.040 0.000 1.605 1319 T HN 0.332 nan 8.240 nan 0.000 0.590 1320 E N 0.811 121.057 120.200 0.076 0.000 2.251 1320 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 1320 E C 1.071 177.744 176.600 0.122 0.000 0.964 1320 E CA 0.515 56.980 56.400 0.107 0.000 0.868 1320 E CB -0.177 29.567 29.700 0.074 0.000 0.828 1320 E HN 0.820 nan 8.360 nan 0.000 0.481 1321 D N 0.407 120.862 120.400 0.090 0.000 2.676 1321 D HA -0.061 4.579 4.640 -0.000 0.000 0.239 1321 D C -0.198 176.143 176.300 0.068 0.000 1.213 1321 D CA -0.410 53.630 54.000 0.066 0.000 0.835 1321 D CB -1.047 39.775 40.800 0.035 0.000 1.009 1321 D HN -0.081 nan 8.370 nan 0.000 0.479 1322 F N 1.287 121.188 119.950 -0.082 0.000 2.420 1322 F HA 0.234 4.761 4.527 -0.000 0.000 0.352 1322 F C 0.028 175.708 175.800 -0.201 0.000 1.108 1322 F CA -1.096 56.778 58.000 -0.211 0.000 1.162 1322 F CB 1.219 39.957 39.000 -0.437 0.000 1.118 1322 F HN -0.228 nan 8.300 nan 0.000 0.510 1323 V N 7.779 127.142 119.914 -0.918 0.000 2.341 1323 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 1323 V C 0.125 175.710 176.094 -0.848 0.000 1.107 1323 V CA -0.117 61.798 62.300 -0.641 0.000 1.069 1323 V CB -0.845 30.728 31.823 -0.416 0.000 1.177 1323 V HN 0.883 nan 8.190 nan 0.000 0.492 1324 W N 5.176 126.284 121.300 -0.321 0.000 3.310 1324 W HA 0.163 4.823 4.660 -0.000 0.000 0.395 1324 W C 1.258 177.741 176.519 -0.061 0.000 1.059 1324 W CA -0.559 56.756 57.345 -0.050 0.000 1.845 1324 W CB 0.037 29.552 29.460 0.093 0.000 0.908 1324 W HN 0.534 nan 8.180 nan 0.000 0.798 1325 R N 0.154 120.667 120.500 0.021 0.000 2.711 1325 R HA 0.316 4.656 4.340 -0.000 0.000 0.284 1325 R C -0.798 175.447 176.300 -0.091 0.000 0.968 1325 R CA -0.951 55.130 56.100 -0.031 0.000 0.924 1325 R CB 1.413 31.645 30.300 -0.113 0.000 1.162 1325 R HN -0.182 nan 8.270 nan 0.000 0.465 1326 D N 3.988 124.308 120.400 -0.134 0.000 2.396 1326 D HA 0.158 4.798 4.640 -0.000 0.000 0.225 1326 D C 1.241 177.426 176.300 -0.192 0.000 1.121 1326 D CA -0.437 53.504 54.000 -0.097 0.000 0.853 1326 D CB 0.920 41.727 40.800 0.013 0.000 1.043 1326 D HN 0.661 nan 8.370 nan 0.000 0.500 1327 I N 3.464 123.923 120.570 -0.185 0.000 2.657 1327 I HA -0.261 3.909 4.170 -0.000 0.000 0.261 1327 I C 2.226 178.282 176.117 -0.100 0.000 1.212 1327 I CA 0.365 61.526 61.300 -0.233 0.000 1.453 1327 I CB -0.135 37.669 38.000 -0.327 0.000 1.092 1327 I HN 0.405 nan 8.210 nan 0.000 0.452 1328 L N 1.329 122.574 121.223 0.037 0.000 2.046 1328 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 1328 L C 1.995 179.038 176.870 0.289 0.000 1.077 1328 L CA 1.983 56.928 54.840 0.176 0.000 0.747 1328 L CB -0.464 41.763 42.059 0.280 0.000 0.896 1328 L HN 0.499 nan 8.230 nan 0.000 0.432 1329 Y N -3.395 116.996 120.300 0.151 0.000 2.610 1329 Y HA 0.464 5.014 4.550 -0.000 0.000 0.254 1329 Y C 1.065 177.090 175.900 0.207 0.000 1.110 1329 Y CA -0.525 57.702 58.100 0.212 0.000 1.238 1329 Y CB -0.721 37.986 38.460 0.410 0.000 1.322 1329 Y HN 0.199 nan 8.280 nan 0.000 0.547 1330 Q N 0.953 120.573 119.800 -0.299 0.000 2.157 1330 Q HA 0.351 4.691 4.340 -0.000 0.000 0.229 1330 Q C -0.379 174.966 176.000 -1.092 0.000 0.827 1330 Q CA -0.233 55.282 55.803 -0.479 0.000 1.055 1330 Q CB 1.203 29.677 28.738 -0.440 0.000 1.157 1330 Q HN 0.247 nan 8.270 nan 0.000 0.482 1331 S N 0.625 115.977 115.700 -0.580 0.000 2.541 1331 S HA 0.430 4.900 4.470 -0.000 0.000 0.280 1331 S C -1.433 173.122 174.600 -0.076 0.000 1.112 1331 S CA -0.757 57.172 58.200 -0.452 0.000 0.925 1331 S CB 0.888 63.917 63.200 -0.284 0.000 1.067 1331 S HN 0.231 nan 8.310 nan 0.000 0.479 1332 N N 3.708 122.405 118.700 -0.006 0.000 2.424 1332 N HA 0.422 5.162 4.740 -0.000 0.000 0.271 1332 N C -1.403 174.219 175.510 0.186 0.000 0.985 1332 N CA -0.280 52.843 53.050 0.121 0.000 0.921 1332 N CB 1.409 39.972 38.487 0.125 0.000 1.149 1332 N HN 0.691 nan 8.380 nan 0.000 0.492 1333 Y N -1.334 118.967 120.300 0.003 0.000 2.562 1333 Y HA 0.441 4.991 4.550 -0.000 0.000 0.345 1333 Y C -0.662 175.251 175.900 0.021 0.000 1.045 1333 Y CA -1.391 56.720 58.100 0.019 0.000 1.028 1333 Y CB 0.837 39.309 38.460 0.021 0.000 1.297 1333 Y HN 0.247 nan 8.280 nan 0.000 0.463 1334 E N 4.573 124.792 120.200 0.031 0.000 2.129 1334 E HA 0.178 4.528 4.350 -0.000 0.000 0.283 1334 E C -1.988 174.578 176.600 -0.057 0.000 1.080 1334 E CA -1.713 54.644 56.400 -0.072 0.000 0.867 1334 E CB 0.989 30.730 29.700 0.070 0.000 1.056 1334 E HN 0.538 nan 8.360 nan 0.000 0.404 1335 P HA -0.307 nan 4.420 nan 0.000 0.221 1335 P C 0.654 178.001 177.300 0.078 0.000 1.160 1335 P CA 1.987 65.023 63.100 -0.107 0.000 0.933 1335 P CB 0.077 31.640 31.700 -0.228 0.000 0.793 1336 G N -2.640 106.180 108.800 0.033 0.000 2.527 1336 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.227 1336 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.227 1336 G C 0.900 175.824 174.900 0.041 0.000 1.291 1336 G CA 0.074 45.194 45.100 0.034 0.000 0.904 1336 G HN 0.117 nan 8.290 nan 0.000 0.577 1337 S N 0.889 116.590 115.700 0.002 0.000 2.595 1337 S HA 0.225 4.695 4.470 -0.000 0.000 0.235 1337 S C 2.318 176.963 174.600 0.075 0.000 0.974 1337 S CA 1.601 59.808 58.200 0.013 0.000 0.942 1337 S CB -0.321 62.847 63.200 -0.054 0.000 0.766 1337 S HN 1.456 nan 8.310 nan 0.000 0.536 1338 A N 1.475 124.375 122.820 0.133 0.000 1.903 1338 A HA 0.051 4.371 4.320 -0.000 0.000 0.213 1338 A C 1.975 179.695 177.584 0.227 0.000 1.185 1338 A CA 1.158 53.344 52.037 0.248 0.000 0.628 1338 A CB -0.559 18.686 19.000 0.409 0.000 0.830 1338 A HN 0.500 nan 8.150 nan 0.000 0.446 1339 M N 0.881 120.545 119.600 0.107 0.000 2.255 1339 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 1339 M C 1.498 177.845 176.300 0.078 0.000 1.071 1339 M CA 1.796 57.104 55.300 0.014 0.000 1.074 1339 M CB -0.733 31.834 32.600 -0.055 0.000 1.384 1339 M HN 0.376 nan 8.290 nan 0.000 0.415 1340 K N -0.634 119.822 120.400 0.094 0.000 2.218 1340 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 1340 K C 1.726 178.386 176.600 0.101 0.000 1.046 1340 K CA 1.590 57.922 56.287 0.076 0.000 0.933 1340 K CB -0.648 31.884 32.500 0.054 0.000 0.728 1340 K HN 0.361 nan 8.250 nan 0.000 0.454 1341 V N 0.985 120.991 119.914 0.154 0.000 2.453 1341 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 1341 V C 2.095 178.257 176.094 0.114 0.000 1.068 1341 V CA 1.645 64.051 62.300 0.177 0.000 1.070 1341 V CB -0.436 31.586 31.823 0.333 0.000 0.664 1341 V HN 0.284 nan 8.190 nan 0.000 0.461 1342 M N 0.124 119.747 119.600 0.038 0.000 2.193 1342 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 1342 M C 2.255 178.705 176.300 0.250 0.000 1.071 1342 M CA 1.825 57.104 55.300 -0.035 0.000 1.140 1342 M CB -1.152 31.209 32.600 -0.397 0.000 1.369 1342 M HN 0.443 nan 8.290 nan 0.000 0.423 1343 T N 0.930 115.659 114.554 0.293 0.000 2.597 1343 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1343 T C 1.699 176.399 174.700 -0.000 0.000 1.053 1343 T CA 1.721 63.863 62.100 0.070 0.000 1.165 1343 T CB -0.879 67.834 68.868 -0.257 0.000 0.863 1343 T HN 0.303 nan 8.240 nan 0.000 0.427 1344 L N 1.702 122.926 121.223 0.002 0.000 2.127 1344 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 1344 L C 2.526 179.442 176.870 0.077 0.000 1.089 1344 L CA 1.643 56.490 54.840 0.011 0.000 0.757 1344 L CB -1.339 40.741 42.059 0.035 0.000 0.899 1344 L HN 0.288 nan 8.230 nan 0.000 0.434 1345 A N -1.699 121.193 122.820 0.121 0.000 1.897 1345 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 1345 A C 2.415 180.045 177.584 0.077 0.000 1.181 1345 A CA 1.542 53.669 52.037 0.150 0.000 0.620 1345 A CB -0.869 18.279 19.000 0.246 0.000 0.821 1345 A HN 0.476 nan 8.150 nan 0.000 0.443 1346 S N -0.497 115.223 115.700 0.034 0.000 2.359 1346 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 1346 S C 2.386 176.752 174.600 -0.389 0.000 1.035 1346 S CA 1.536 59.468 58.200 -0.447 0.000 1.018 1346 S CB -0.363 62.696 63.200 -0.236 0.000 0.876 1346 S HN 0.662 nan 8.310 nan 0.000 0.448 1347 S N 1.014 116.620 115.700 -0.155 0.000 2.359 1347 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 1347 S C 1.796 176.407 174.600 0.018 0.000 1.038 1347 S CA 1.548 59.687 58.200 -0.102 0.000 1.051 1347 S CB -0.571 62.526 63.200 -0.173 0.000 0.944 1347 S HN 0.461 nan 8.310 nan 0.000 0.433 1348 I N 1.067 121.701 120.570 0.107 0.000 2.163 1348 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 1348 I C 2.389 178.559 176.117 0.088 0.000 1.085 1348 I CA 1.947 63.334 61.300 0.145 0.000 1.347 1348 I CB -0.598 37.488 38.000 0.142 0.000 1.044 1348 I HN 0.425 nan 8.210 nan 0.000 0.408 1349 D N 1.170 121.611 120.400 0.068 0.000 2.103 1349 D HA -0.288 4.352 4.640 -0.000 0.000 0.190 1349 D C 1.889 178.279 176.300 0.151 0.000 0.997 1349 D CA 1.861 55.929 54.000 0.114 0.000 0.833 1349 D CB -0.221 40.694 40.800 0.192 0.000 0.961 1349 D HN 0.125 nan 8.370 nan 0.000 0.447 1350 N N -0.281 118.521 118.700 0.171 0.000 2.443 1350 N HA -0.210 4.530 4.740 -0.000 0.000 0.184 1350 N C 0.409 175.985 175.510 0.111 0.000 1.037 1350 N CA 1.205 54.383 53.050 0.213 0.000 0.896 1350 N CB -0.055 38.562 38.487 0.216 0.000 0.959 1350 N HN 0.221 nan 8.380 nan 0.000 0.442 1351 N N -1.685 117.066 118.700 0.086 0.000 2.948 1351 N HA -0.168 4.572 4.740 -0.000 0.000 0.239 1351 N C -1.092 174.461 175.510 0.072 0.000 0.954 1351 N CA 1.412 54.508 53.050 0.076 0.000 0.941 1351 N CB -2.145 36.374 38.487 0.054 0.000 1.101 1351 N HN 0.433 nan 8.380 nan 0.000 0.579 1352 T N -1.451 113.137 114.554 0.057 0.000 3.477 1352 T HA 0.398 4.748 4.350 -0.000 0.000 0.347 1352 T C -0.156 174.558 174.700 0.023 0.000 1.567 1352 T CA -0.582 61.531 62.100 0.020 0.000 1.169 1352 T CB -0.894 67.967 68.868 -0.011 0.000 1.196 1352 T HN 0.278 nan 8.240 nan 0.000 0.768 1353 F N 3.654 123.572 119.950 -0.054 0.000 2.332 1353 F HA 0.453 4.980 4.527 0.000 0.000 0.368 1353 F C -2.309 173.416 175.800 -0.126 0.000 1.110 1353 F CA -2.731 55.236 58.000 -0.055 0.000 1.087 1353 F CB 1.091 40.068 39.000 -0.039 0.000 1.235 1353 F HN 0.283 nan 8.300 nan 0.000 0.470 1354 P HA -0.158 nan 4.420 nan 0.000 0.268 1354 P C -0.679 176.508 177.300 -0.187 0.000 1.171 1354 P CA 0.444 63.437 63.100 -0.178 0.000 0.761 1354 P CB 0.582 31.968 31.700 -0.522 0.000 0.786 1355 S N 1.232 116.841 115.700 -0.153 0.000 2.646 1355 S HA 0.425 4.895 4.470 -0.000 0.000 0.276 1355 S C 1.931 176.438 174.600 -0.155 0.000 1.222 1355 S CA -0.025 58.115 58.200 -0.100 0.000 1.014 1355 S CB 0.507 63.686 63.200 -0.035 0.000 0.991 1355 S HN 0.601 nan 8.310 nan 0.000 0.533 1356 G N 1.680 110.456 108.800 -0.041 0.000 2.550 1356 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.222 1356 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.222 1356 G C 1.278 176.209 174.900 0.052 0.000 1.113 1356 G CA 1.703 46.833 45.100 0.049 0.000 0.748 1356 G HN 0.973 nan 8.290 nan 0.000 0.585 1357 E N 0.143 120.356 120.200 0.022 0.000 2.005 1357 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 1357 E C 2.128 178.767 176.600 0.064 0.000 0.987 1357 E CA 1.077 57.507 56.400 0.049 0.000 0.814 1357 E CB -1.130 28.599 29.700 0.049 0.000 0.772 1357 E HN 0.458 nan 8.360 nan 0.000 0.453 1358 Y N 0.583 120.831 120.300 -0.088 0.000 2.215 1358 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 1358 Y C 2.089 177.995 175.900 0.009 0.000 1.207 1358 Y CA 1.926 59.977 58.100 -0.081 0.000 1.196 1358 Y CB -0.808 37.561 38.460 -0.151 0.000 0.969 1358 Y HN 0.331 nan 8.280 nan 0.000 0.528 1359 F N 0.572 120.433 119.950 -0.149 0.000 2.120 1359 F HA -0.328 4.199 4.527 -0.000 0.000 0.300 1359 F C 1.641 177.295 175.800 -0.243 0.000 1.095 1359 F CA 0.713 58.575 58.000 -0.230 0.000 1.249 1359 F CB -0.712 38.247 39.000 -0.067 0.000 0.995 1359 F HN 0.275 nan 8.300 nan 0.000 0.480 1398 V N 1.034 120.823 119.914 -0.209 0.000 2.453 1398 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 1398 V C 2.546 178.560 176.094 -0.133 0.000 1.068 1398 V CA 2.601 64.813 62.300 -0.147 0.000 1.070 1398 V CB -1.004 30.733 31.823 -0.144 0.000 0.664 1398 V HN 0.402 nan 8.190 nan 0.000 0.461 1399 G N -0.189 108.501 108.800 -0.184 0.000 2.514 1399 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 1399 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 1399 G C 1.475 176.284 174.900 -0.153 0.000 1.198 1399 G CA 1.538 46.495 45.100 -0.239 0.000 0.780 1399 G HN 0.321 nan 8.290 nan 0.000 0.565 1400 M N 1.987 121.520 119.600 -0.111 0.000 2.115 1400 M HA -0.132 4.348 4.480 -0.000 0.000 0.258 1400 M C 3.030 179.261 176.300 -0.115 0.000 1.071 1400 M CA 1.851 57.080 55.300 -0.118 0.000 1.100 1400 M CB -1.816 30.771 32.600 -0.022 0.000 1.292 1400 M HN 0.462 nan 8.290 nan 0.000 0.415 1401 S N 0.390 116.115 115.700 0.041 0.000 2.400 1401 S HA -0.205 4.265 4.470 -0.000 0.000 0.234 1401 S C 2.114 176.696 174.600 -0.030 0.000 1.049 1401 S CA 1.659 59.886 58.200 0.044 0.000 1.039 1401 S CB -1.109 62.188 63.200 0.163 0.000 0.856 1401 S HN 0.525 nan 8.310 nan 0.000 0.465 1402 L N 0.678 121.882 121.223 -0.031 0.000 2.027 1402 L HA 0.010 4.350 4.340 -0.000 0.000 0.206 1402 L C 2.729 179.624 176.870 0.042 0.000 1.074 1402 L CA 1.301 56.150 54.840 0.014 0.000 0.745 1402 L CB -0.676 41.385 42.059 0.004 0.000 0.898 1402 L HN 0.348 nan 8.230 nan 0.000 0.433 1403 L N -0.361 120.828 121.223 -0.056 0.000 2.129 1403 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 1403 L C 2.641 179.407 176.870 -0.172 0.000 1.087 1403 L CA 1.196 55.946 54.840 -0.150 0.000 0.757 1403 L CB -0.620 41.266 42.059 -0.289 0.000 0.896 1403 L HN 0.372 nan 8.230 nan 0.000 0.434 1404 E N -0.092 119.970 120.200 -0.230 0.000 2.274 1404 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 1404 E C 2.061 178.616 176.600 -0.075 0.000 0.996 1404 E CA 0.779 57.026 56.400 -0.256 0.000 0.840 1404 E CB 0.215 29.671 29.700 -0.407 0.000 0.772 1404 E HN 0.423 nan 8.360 nan 0.000 0.491 1405 Q N 0.245 120.043 119.800 -0.003 0.000 2.245 1405 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 1405 Q C 1.820 177.854 176.000 0.056 0.000 0.955 1405 Q CA 0.813 56.654 55.803 0.064 0.000 0.870 1405 Q CB 0.063 28.885 28.738 0.140 0.000 0.945 1405 Q HN 0.184 nan 8.270 nan 0.000 0.461 1406 K N -0.427 119.995 120.400 0.038 0.000 2.128 1406 K HA 0.115 4.435 4.320 -0.000 0.000 0.202 1406 K C 2.061 178.638 176.600 -0.037 0.000 1.050 1406 K CA 0.248 56.492 56.287 -0.072 0.000 0.966 1406 K CB 0.069 32.480 32.500 -0.148 0.000 0.759 1406 K HN 0.076 nan 8.250 nan 0.000 0.454 1407 M N 0.149 119.739 119.600 -0.018 0.000 2.065 1407 M HA -0.103 4.377 4.480 -0.000 0.000 0.259 1407 M C 0.044 176.390 176.300 0.076 0.000 1.069 1407 M CA 2.003 57.324 55.300 0.034 0.000 1.110 1407 M CB 0.002 32.624 32.600 0.036 0.000 1.328 1407 M HN 0.317 nan 8.290 nan 0.000 0.405 1408 G N 1.033 109.876 108.800 0.071 0.000 3.421 1408 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 1408 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 1408 G C -0.304 174.677 174.900 0.136 0.000 1.056 1408 G CA -0.209 44.942 45.100 0.085 0.000 0.891 1408 G HN 0.474 nan 8.290 nan 0.000 0.514 1409 D N 0.957 121.429 120.400 0.119 0.000 3.866 1409 D HA -0.353 4.287 4.640 -0.000 0.000 0.210 1409 D C 2.694 179.086 176.300 0.154 0.000 1.279 1409 D CA 3.831 57.916 54.000 0.141 0.000 0.868 1409 D CB -0.393 40.460 40.800 0.090 0.000 0.938 1409 D HN 1.309 nan 8.370 nan 0.000 0.571 1410 A N -0.675 122.211 122.820 0.109 0.000 1.897 1410 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 1410 A C 2.373 180.020 177.584 0.106 0.000 1.181 1410 A CA 2.329 54.417 52.037 0.084 0.000 0.620 1410 A CB -0.832 18.199 19.000 0.053 0.000 0.821 1410 A HN 0.308 nan 8.150 nan 0.000 0.443 1411 T N -0.975 113.668 114.554 0.148 0.000 2.595 1411 T HA -0.223 4.127 4.350 -0.000 0.000 0.264 1411 T C 1.631 176.528 174.700 0.329 0.000 1.058 1411 T CA 1.331 63.555 62.100 0.207 0.000 1.166 1411 T CB -0.506 68.505 68.868 0.237 0.000 0.863 1411 T HN 0.709 nan 8.240 nan 0.000 0.415 1412 W N 1.606 122.999 121.300 0.156 0.000 2.308 1412 W HA -0.174 4.486 4.660 -0.000 0.000 0.301 1412 W C 1.865 178.484 176.519 0.167 0.000 1.220 1412 W CA 0.935 58.373 57.345 0.156 0.000 1.240 1412 W CB -0.499 28.994 29.460 0.055 0.000 1.142 1412 W HN 0.241 nan 8.180 nan 0.000 0.521 1413 L N 0.735 121.955 121.223 -0.005 0.000 2.093 1413 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 1413 L C 2.122 178.918 176.870 -0.122 0.000 1.085 1413 L CA 2.274 57.024 54.840 -0.150 0.000 0.755 1413 L CB -0.850 41.193 42.059 -0.028 0.000 0.904 1413 L HN -0.093 nan 8.230 nan 0.000 0.435 1414 D N -1.454 118.918 120.400 -0.046 0.000 2.310 1414 D HA -0.231 4.409 4.640 -0.000 0.000 0.212 1414 D C 1.688 177.892 176.300 -0.160 0.000 0.965 1414 D CA 1.033 54.974 54.000 -0.098 0.000 0.879 1414 D CB 0.088 40.826 40.800 -0.103 0.000 0.921 1414 D HN 0.286 nan 8.370 nan 0.000 0.510 1415 Y N -0.448 119.767 120.300 -0.141 0.000 2.500 1415 Y HA 0.265 4.815 4.550 -0.000 0.000 0.270 1415 Y C 1.696 177.501 175.900 -0.159 0.000 1.134 1415 Y CA 0.213 58.236 58.100 -0.128 0.000 1.293 1415 Y CB 0.287 38.755 38.460 0.012 0.000 1.063 1415 Y HN 0.021 nan 8.280 nan 0.000 0.534 1416 L N -0.367 120.750 121.223 -0.176 0.000 2.071 1416 L HA -0.122 4.218 4.340 -0.000 0.000 0.201 1416 L C 2.721 179.582 176.870 -0.015 0.000 1.076 1416 L CA 1.508 56.257 54.840 -0.152 0.000 0.755 1416 L CB -0.789 41.083 42.059 -0.312 0.000 0.915 1416 L HN 0.055 nan 8.230 nan 0.000 0.445 1417 K N 0.639 120.997 120.400 -0.069 0.000 2.074 1417 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 1417 K C 2.082 178.618 176.600 -0.108 0.000 1.048 1417 K CA 1.950 58.198 56.287 -0.064 0.000 0.926 1417 K CB -1.078 31.380 32.500 -0.070 0.000 0.713 1417 K HN 0.324 nan 8.250 nan 0.000 0.444 1418 R N -1.546 118.849 120.500 -0.174 0.000 2.159 1418 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 1418 R C 1.760 177.863 176.300 -0.328 0.000 1.131 1418 R CA 1.491 57.420 56.100 -0.284 0.000 0.982 1418 R CB -0.326 29.720 30.300 -0.424 0.000 0.868 1418 R HN 0.504 nan 8.270 nan 0.000 0.453 1419 F N 0.400 120.204 119.950 -0.244 0.000 2.797 1419 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 1419 F C 0.768 176.279 175.800 -0.481 0.000 1.130 1419 F CA 0.304 58.063 58.000 -0.400 0.000 1.387 1419 F CB 0.248 38.898 39.000 -0.584 0.000 1.107 1419 F HN -0.137 nan 8.300 nan 0.000 0.577 1420 K N -1.406 118.904 120.400 -0.149 0.000 3.407 1420 K HA -0.226 4.094 4.320 -0.000 0.000 0.312 1420 K C -0.085 176.480 176.600 -0.060 0.000 1.302 1420 K CA 0.116 56.343 56.287 -0.100 0.000 0.931 1420 K CB -2.006 30.450 32.500 -0.073 0.000 1.257 1420 K HN 0.101 nan 8.250 nan 0.000 0.454 1421 F N 0.756 120.702 119.950 -0.007 0.000 2.539 1421 F HA 0.197 4.724 4.527 -0.000 0.000 0.340 1421 F C 2.081 177.862 175.800 -0.031 0.000 1.185 1421 F CA 1.648 59.621 58.000 -0.046 0.000 1.333 1421 F CB 0.126 39.066 39.000 -0.100 0.000 1.152 1421 F HN 0.281 nan 8.300 nan 0.000 0.602 1422 G N 0.299 109.227 108.800 0.212 0.000 2.640 1422 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.226 1422 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.226 1422 G C -0.238 174.723 174.900 0.101 0.000 1.222 1422 G CA 0.067 45.233 45.100 0.110 0.000 0.729 1422 G HN 0.650 nan 8.290 nan 0.000 0.516 1423 V N 3.700 123.675 119.914 0.100 0.000 2.350 1423 V HA 0.502 4.622 4.120 -0.000 0.000 0.276 1423 V C -1.659 174.499 176.094 0.106 0.000 1.028 1423 V CA -1.355 60.999 62.300 0.089 0.000 0.860 1423 V CB 1.440 33.305 31.823 0.069 0.000 0.990 1423 V HN 0.235 nan 8.190 nan 0.000 0.453 1424 P HA -0.131 nan 4.420 nan 0.000 0.265 1424 P C 1.232 178.623 177.300 0.152 0.000 1.151 1424 P CA 0.935 64.129 63.100 0.155 0.000 0.755 1424 P CB 0.449 32.244 31.700 0.158 0.000 0.756 1425 T N 1.854 116.511 114.554 0.172 0.000 2.777 1425 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 1425 T C 0.673 175.511 174.700 0.230 0.000 1.040 1425 T CA 0.590 62.784 62.100 0.156 0.000 1.141 1425 T CB -0.565 68.357 68.868 0.090 0.000 0.868 1425 T HN 0.512 nan 8.240 nan 0.000 0.444 1426 R N 0.774 121.464 120.500 0.315 0.000 3.209 1426 R HA -0.137 4.203 4.340 -0.000 0.000 0.252 1426 R C 0.314 176.833 176.300 0.365 0.000 0.958 1426 R CA 0.466 56.746 56.100 0.301 0.000 0.651 1426 R CB -2.570 27.847 30.300 0.194 0.000 1.142 1426 R HN 0.688 nan 8.270 nan 0.000 0.441 1427 F N -2.319 117.708 119.950 0.128 0.000 2.664 1427 F HA 0.388 4.915 4.527 -0.000 0.000 0.296 1427 F C 1.432 177.424 175.800 0.320 0.000 1.125 1427 F CA 0.790 58.906 58.000 0.193 0.000 1.444 1427 F CB 0.176 39.290 39.000 0.189 0.000 1.114 1427 F HN 0.266 nan 8.300 nan 0.000 0.576 1428 G N 0.811 109.529 108.800 -0.138 0.000 4.373 1428 G HA2 0.002 3.962 3.960 -0.000 0.000 0.195 1428 G HA3 0.002 3.962 3.960 -0.000 0.000 0.195 1428 G C -0.171 174.612 174.900 -0.195 0.000 1.377 1428 G CA -0.230 44.857 45.100 -0.022 0.000 0.858 1428 G HN 0.183 nan 8.290 nan 0.000 0.307 1429 L N 3.082 123.866 121.223 -0.733 0.000 2.514 1429 L HA 0.349 4.689 4.340 -0.000 0.000 0.280 1429 L C 1.556 178.316 176.870 -0.183 0.000 1.223 1429 L CA 0.721 55.214 54.840 -0.579 0.000 0.864 1429 L CB 0.687 42.025 42.059 -1.202 0.000 1.118 1429 L HN 0.589 nan 8.230 nan 0.000 0.494 1430 T N -1.430 113.154 114.554 0.051 0.000 2.899 1430 T HA 0.114 4.464 4.350 -0.000 0.000 0.295 1430 T C 0.471 175.340 174.700 0.282 0.000 1.033 1430 T CA -0.394 61.792 62.100 0.143 0.000 1.084 1430 T CB 1.256 70.181 68.868 0.096 0.000 0.979 1430 T HN 0.797 nan 8.240 nan 0.000 0.532 1431 D N -1.016 119.511 120.400 0.211 0.000 3.006 1431 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 1431 D C 0.210 176.687 176.300 0.296 0.000 1.075 1431 D CA 0.941 55.053 54.000 0.186 0.000 1.000 1431 D CB -0.989 39.903 40.800 0.152 0.000 1.097 1431 D HN 0.943 nan 8.370 nan 0.000 0.426 1432 E N 0.121 120.599 120.200 0.463 0.000 2.653 1432 E HA -0.089 4.261 4.350 -0.000 0.000 0.264 1432 E C 0.090 176.943 176.600 0.421 0.000 0.949 1432 E CA 0.434 57.211 56.400 0.629 0.000 0.953 1432 E CB 0.389 30.449 29.700 0.601 0.000 0.925 1432 E HN 0.057 nan 8.360 nan 0.000 0.475 1433 Y N 1.501 121.928 120.300 0.211 0.000 2.230 1433 Y HA 0.201 4.751 4.550 -0.000 0.000 0.354 1433 Y C 1.114 177.097 175.900 0.138 0.000 1.343 1433 Y CA 0.424 58.606 58.100 0.136 0.000 1.693 1433 Y CB 0.694 39.213 38.460 0.100 0.000 1.553 1433 Y HN 0.653 nan 8.280 nan 0.000 0.599 1434 A N -0.235 122.728 122.820 0.239 0.000 2.026 1434 A HA 0.499 4.819 4.320 -0.000 0.000 0.201 1434 A C 1.055 178.726 177.584 0.146 0.000 1.318 1434 A CA 0.632 52.766 52.037 0.161 0.000 0.857 1434 A CB -0.804 18.252 19.000 0.093 0.000 0.939 1434 A HN 1.331 nan 8.150 nan 0.000 0.476 1435 G N -1.253 107.633 108.800 0.144 0.000 2.829 1435 G HA2 0.034 3.994 3.960 -0.000 0.000 0.628 1435 G HA3 0.034 3.994 3.960 -0.000 0.000 0.628 1435 G C -0.511 174.419 174.900 0.051 0.000 1.412 1435 G CA 0.126 45.272 45.100 0.078 0.000 0.864 1435 G HN 0.955 nan 8.290 nan 0.000 0.544 1436 Q N -1.078 118.726 119.800 0.007 0.000 2.320 1436 Q HA 0.568 4.908 4.340 -0.000 0.000 0.272 1436 Q C -0.114 175.873 176.000 -0.021 0.000 1.023 1436 Q CA -1.046 54.760 55.803 0.006 0.000 0.855 1436 Q CB 1.294 30.039 28.738 0.012 0.000 1.367 1436 Q HN 0.655 nan 8.270 nan 0.000 0.406 1437 L N 4.266 125.486 121.223 -0.005 0.000 2.467 1437 L HA 0.344 4.684 4.340 -0.000 0.000 0.270 1437 L C -1.839 175.021 176.870 -0.018 0.000 1.205 1437 L CA -1.106 53.723 54.840 -0.019 0.000 0.828 1437 L CB -0.221 41.834 42.059 -0.006 0.000 1.101 1437 L HN 0.657 nan 8.230 nan 0.000 0.479 1438 P HA 0.075 nan 4.420 nan 0.000 0.268 1438 P C -0.457 176.847 177.300 0.007 0.000 1.205 1438 P CA -0.376 62.722 63.100 -0.003 0.000 0.771 1438 P CB 0.657 32.362 31.700 0.009 0.000 0.858 1439 A N 2.575 125.401 122.820 0.011 0.000 2.482 1439 A HA -0.049 4.271 4.320 -0.000 0.000 0.249 1439 A C 0.407 178.002 177.584 0.018 0.000 1.114 1439 A CA 0.270 52.315 52.037 0.013 0.000 0.797 1439 A CB -0.570 18.438 19.000 0.013 0.000 1.067 1439 A HN 0.542 nan 8.150 nan 0.000 0.514 1440 D N 0.251 120.662 120.400 0.018 0.000 2.522 1440 D HA 0.410 5.050 4.640 -0.000 0.000 0.218 1440 D C -0.860 175.455 176.300 0.025 0.000 1.149 1440 D CA 0.225 54.239 54.000 0.022 0.000 0.981 1440 D CB -0.507 40.304 40.800 0.019 0.000 1.041 1440 D HN 0.629 nan 8.370 nan 0.000 0.518 1441 N N 0.622 119.340 118.700 0.030 0.000 2.452 1441 N HA 0.096 4.836 4.740 -0.000 0.000 0.277 1441 N C 1.044 176.576 175.510 0.037 0.000 1.078 1441 N CA -0.913 52.156 53.050 0.030 0.000 0.947 1441 N CB 0.706 39.209 38.487 0.027 0.000 1.655 1441 N HN 0.092 nan 8.380 nan 0.000 0.490 1442 I N -1.177 119.415 120.570 0.037 0.000 2.550 1442 I HA -0.324 3.846 4.170 -0.000 0.000 0.265 1442 I C 0.007 176.149 176.117 0.042 0.000 1.156 1442 I CA 1.370 62.694 61.300 0.041 0.000 1.431 1442 I CB -0.415 37.608 38.000 0.038 0.000 1.110 1442 I HN 0.348 nan 8.210 nan 0.000 0.455 1443 V N 1.640 121.579 119.914 0.043 0.000 2.523 1443 V HA -0.151 3.969 4.120 -0.000 0.000 0.226 1443 V C 2.788 178.905 176.094 0.038 0.000 1.107 1443 V CA 1.648 63.978 62.300 0.051 0.000 1.121 1443 V CB -0.691 31.168 31.823 0.061 0.000 0.753 1443 V HN 0.650 nan 8.190 nan 0.000 0.497 1444 S N 0.909 116.633 115.700 0.040 0.000 2.393 1444 S HA -0.314 4.156 4.470 -0.000 0.000 0.234 1444 S C 1.920 176.522 174.600 0.004 0.000 1.064 1444 S CA 2.402 60.618 58.200 0.027 0.000 1.088 1444 S CB -1.040 62.177 63.200 0.029 0.000 0.939 1444 S HN 0.474 nan 8.310 nan 0.000 0.448 1445 I N 2.637 123.227 120.570 0.032 0.000 2.142 1445 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 1445 I C 3.075 179.227 176.117 0.057 0.000 1.078 1445 I CA 1.261 62.610 61.300 0.081 0.000 1.343 1445 I CB -0.842 37.224 38.000 0.110 0.000 1.046 1445 I HN 0.455 nan 8.210 nan 0.000 0.405 1446 A N 0.044 122.864 122.820 0.001 0.000 2.194 1446 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 1446 A C 2.147 179.547 177.584 -0.306 0.000 1.162 1446 A CA 1.543 53.530 52.037 -0.085 0.000 0.674 1446 A CB -0.539 18.453 19.000 -0.014 0.000 0.789 1446 A HN 0.588 nan 8.150 nan 0.000 0.470 1447 Q N -0.461 119.109 119.800 -0.384 0.000 2.250 1447 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 1447 Q C 2.136 177.522 176.000 -1.025 0.000 0.941 1447 Q CA 1.021 56.188 55.803 -1.061 0.000 0.872 1447 Q CB -0.139 28.358 28.738 -0.402 0.000 0.965 1447 Q HN 0.801 nan 8.270 nan 0.000 0.480 1448 S N 0.897 116.406 115.700 -0.317 0.000 2.528 1448 S HA -0.159 4.311 4.470 -0.000 0.000 0.244 1448 S C 1.950 176.601 174.600 0.086 0.000 0.982 1448 S CA 1.211 59.406 58.200 -0.009 0.000 0.953 1448 S CB -0.422 62.932 63.200 0.257 0.000 0.754 1448 S HN 0.392 nan 8.310 nan 0.000 0.529 1449 S N 1.509 116.962 115.700 -0.411 0.000 2.461 1449 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 1449 S C 1.104 175.502 174.600 -0.337 0.000 1.005 1449 S CA 0.168 57.945 58.200 -0.705 0.000 0.942 1449 S CB -0.803 61.892 63.200 -0.842 0.000 0.776 1449 S HN 0.791 nan 8.310 nan 0.000 0.514 1450 F N -0.462 119.409 119.950 -0.132 0.000 2.698 1450 F HA 0.769 5.296 4.527 -0.000 0.000 0.304 1450 F C 1.155 176.908 175.800 -0.078 0.000 1.108 1450 F CA -1.120 56.810 58.000 -0.115 0.000 1.263 1450 F CB -0.060 38.859 39.000 -0.135 0.000 1.013 1450 F HN 0.213 nan 8.300 nan 0.000 0.532 1451 G N 0.117 108.925 108.800 0.013 0.000 2.131 1451 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.223 1451 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.223 1451 G C -0.117 174.795 174.900 0.019 0.000 0.990 1451 G CA 0.023 45.132 45.100 0.015 0.000 0.671 1451 G HN 0.429 nan 8.290 nan 0.000 0.521 1452 Q N -1.219 118.570 119.800 -0.018 0.000 2.552 1452 Q HA 0.641 4.981 4.340 -0.000 0.000 0.289 1452 Q C 1.065 177.069 176.000 0.006 0.000 1.097 1452 Q CA -0.149 55.701 55.803 0.079 0.000 0.812 1452 Q CB 1.072 29.982 28.738 0.287 0.000 1.460 1452 Q HN 1.416 nan 8.270 nan 0.000 0.452 1453 G N 0.569 109.437 108.800 0.113 0.000 2.203 1453 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.263 1453 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.263 1453 G C -0.052 174.847 174.900 -0.002 0.000 1.012 1453 G CA 1.061 46.194 45.100 0.055 0.000 0.749 1453 G HN 0.517 nan 8.290 nan 0.000 0.512 1454 I N -0.275 120.279 120.570 -0.027 0.000 2.787 1454 I HA 0.580 4.750 4.170 -0.000 0.000 0.294 1454 I C -0.455 175.585 176.117 -0.129 0.000 1.365 1454 I CA -0.358 60.890 61.300 -0.086 0.000 1.029 1454 I CB 2.018 39.934 38.000 -0.139 0.000 1.313 1454 I HN 0.374 nan 8.210 nan 0.000 0.431 1455 S N 6.791 122.410 115.700 -0.136 0.000 2.482 1455 S HA 0.866 5.336 4.470 -0.000 0.000 0.303 1455 S C -0.765 173.699 174.600 -0.226 0.000 1.091 1455 S CA -0.482 57.621 58.200 -0.160 0.000 1.057 1455 S CB 1.671 64.839 63.200 -0.053 0.000 1.031 1455 S HN 0.951 nan 8.310 nan 0.000 0.485 1456 V N -0.160 119.536 119.914 -0.362 0.000 3.078 1456 V HA 0.915 5.035 4.120 -0.000 0.000 0.311 1456 V C -0.082 175.864 176.094 -0.246 0.000 1.138 1456 V CA -0.466 61.642 62.300 -0.320 0.000 1.007 1456 V CB 1.370 32.866 31.823 -0.545 0.000 1.045 1456 V HN 1.169 nan 8.190 nan 0.000 0.432 1457 T N 0.164 114.733 114.554 0.026 0.000 2.912 1457 T HA 0.438 4.788 4.350 -0.000 0.000 0.280 1457 T C 0.731 175.609 174.700 0.297 0.000 0.989 1457 T CA -0.148 62.085 62.100 0.221 0.000 0.995 1457 T CB 1.531 70.539 68.868 0.234 0.000 1.077 1457 T HN 0.816 nan 8.240 nan 0.000 0.531 1458 Q N 0.175 120.241 119.800 0.443 0.000 2.172 1458 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 1458 Q C 2.529 178.650 176.000 0.202 0.000 0.964 1458 Q CA 1.671 57.740 55.803 0.443 0.000 0.855 1458 Q CB -0.660 28.361 28.738 0.472 0.000 0.918 1458 Q HN 0.994 nan 8.270 nan 0.000 0.444 1459 T N -0.045 114.566 114.554 0.094 0.000 2.720 1459 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 1459 T C 1.841 176.518 174.700 -0.038 0.000 1.037 1459 T CA 1.417 63.456 62.100 -0.101 0.000 1.144 1459 T CB -0.295 68.348 68.868 -0.376 0.000 0.864 1459 T HN 0.282 nan 8.240 nan 0.000 0.444 1460 Q N 0.358 120.188 119.800 0.049 0.000 2.002 1460 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 1460 Q C 2.586 178.596 176.000 0.017 0.000 0.988 1460 Q CA 1.463 57.309 55.803 0.073 0.000 0.843 1460 Q CB -0.366 28.517 28.738 0.242 0.000 0.908 1460 Q HN 0.360 nan 8.270 nan 0.000 0.420 1461 M N 0.507 120.132 119.600 0.043 0.000 2.089 1461 M HA -0.204 4.276 4.480 -0.000 0.000 0.257 1461 M C 2.266 178.317 176.300 -0.414 0.000 1.071 1461 M CA 1.585 56.731 55.300 -0.256 0.000 1.096 1461 M CB -1.092 31.343 32.600 -0.274 0.000 1.330 1461 M HN 0.272 nan 8.290 nan 0.000 0.403 1462 L N -0.886 120.286 121.223 -0.086 0.000 2.017 1462 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 1462 L C 2.711 179.599 176.870 0.030 0.000 1.073 1462 L CA 1.443 56.333 54.840 0.084 0.000 0.745 1462 L CB -0.686 41.426 42.059 0.088 0.000 0.894 1462 L HN 0.332 nan 8.230 nan 0.000 0.432 1463 R N 0.283 120.762 120.500 -0.035 0.000 2.189 1463 R HA -0.141 4.199 4.340 -0.000 0.000 0.223 1463 R C 2.148 178.406 176.300 -0.070 0.000 1.092 1463 R CA 1.100 57.186 56.100 -0.023 0.000 0.989 1463 R CB -0.090 30.193 30.300 -0.029 0.000 0.876 1463 R HN 0.347 nan 8.270 nan 0.000 0.457 1464 A N 0.700 123.380 122.820 -0.235 0.000 1.840 1464 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 1464 A C 1.783 179.234 177.584 -0.222 0.000 1.198 1464 A CA 1.016 52.822 52.037 -0.386 0.000 0.608 1464 A CB -0.699 17.881 19.000 -0.700 0.000 0.839 1464 A HN 0.329 nan 8.150 nan 0.000 0.443 1465 F N 1.717 121.630 119.950 -0.061 0.000 2.126 1465 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 1465 F C 2.868 178.688 175.800 0.034 0.000 1.096 1465 F CA 1.732 59.719 58.000 -0.020 0.000 1.255 1465 F CB -1.592 37.382 39.000 -0.043 0.000 0.997 1465 F HN 0.332 nan 8.300 nan 0.000 0.479 1466 T N -0.760 113.924 114.554 0.216 0.000 2.680 1466 T HA -0.349 4.001 4.350 -0.000 0.000 0.268 1466 T C 2.167 176.953 174.700 0.143 0.000 1.033 1466 T CA 1.507 63.699 62.100 0.154 0.000 1.152 1466 T CB -1.200 67.737 68.868 0.115 0.000 0.859 1466 T HN 0.306 nan 8.240 nan 0.000 0.452 1467 A N 1.788 124.702 122.820 0.155 0.000 1.933 1467 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 1467 A C 2.071 179.759 177.584 0.173 0.000 1.175 1467 A CA 1.219 53.354 52.037 0.163 0.000 0.628 1467 A CB -0.527 18.607 19.000 0.223 0.000 0.814 1467 A HN 0.561 nan 8.150 nan 0.000 0.444 1468 I N -0.938 119.758 120.570 0.210 0.000 3.749 1468 I HA 0.180 4.350 4.170 -0.000 0.000 0.314 1468 I C 1.580 177.791 176.117 0.157 0.000 1.278 1468 I CA 0.989 62.406 61.300 0.195 0.000 1.158 1468 I CB -1.507 36.628 38.000 0.225 0.000 1.018 1468 I HN 0.343 nan 8.210 nan 0.000 0.435 1469 A N 1.043 123.945 122.820 0.137 0.000 1.933 1469 A HA 0.174 4.494 4.320 -0.000 0.000 0.198 1469 A C 0.950 178.582 177.584 0.079 0.000 1.617 1469 A CA -0.020 52.079 52.037 0.104 0.000 1.039 1469 A CB 0.061 19.124 19.000 0.105 0.000 1.066 1469 A HN 0.312 nan 8.150 nan 0.000 0.484 1470 N N 1.714 120.465 118.700 0.085 0.000 3.091 1470 N HA 0.287 5.027 4.740 -0.000 0.000 0.255 1470 N C -0.960 174.595 175.510 0.075 0.000 1.204 1470 N CA -0.110 52.983 53.050 0.071 0.000 0.990 1470 N CB -0.038 38.492 38.487 0.073 0.000 1.260 1470 N HN 0.163 nan 8.380 nan 0.000 0.502 1471 D N 2.267 122.705 120.400 0.063 0.000 2.860 1471 D HA -0.215 4.425 4.640 -0.000 0.000 0.229 1471 D C 0.853 177.174 176.300 0.035 0.000 1.169 1471 D CA 1.675 55.705 54.000 0.051 0.000 0.737 1471 D CB -1.144 39.688 40.800 0.053 0.000 1.080 1471 D HN 0.865 nan 8.370 nan 0.000 0.424 1472 G N -1.827 107.004 108.800 0.053 0.000 2.143 1472 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 1472 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 1472 G C 0.272 175.169 174.900 -0.005 0.000 0.991 1472 G CA 0.266 45.384 45.100 0.029 0.000 0.689 1472 G HN 0.607 nan 8.290 nan 0.000 0.522 1473 V N 1.845 121.792 119.914 0.055 0.000 2.313 1473 V HA 0.485 4.605 4.120 -0.000 0.000 0.278 1473 V C 0.939 177.103 176.094 0.117 0.000 1.017 1473 V CA -0.581 61.785 62.300 0.109 0.000 0.823 1473 V CB 1.428 33.395 31.823 0.240 0.000 1.010 1473 V HN 0.390 nan 8.190 nan 0.000 0.443 1474 M N 5.438 125.095 119.600 0.094 0.000 2.252 1474 M HA 0.299 4.779 4.480 -0.000 0.000 0.348 1474 M C -0.527 175.831 176.300 0.096 0.000 1.334 1474 M CA 0.612 55.965 55.300 0.088 0.000 1.071 1474 M CB 0.395 33.029 32.600 0.056 0.000 1.763 1474 M HN 0.477 nan 8.290 nan 0.000 0.452 1475 L N 1.652 122.929 121.223 0.090 0.000 2.313 1475 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 1475 L C -0.147 176.778 176.870 0.092 0.000 1.010 1475 L CA -0.903 53.991 54.840 0.090 0.000 0.814 1475 L CB 1.712 43.824 42.059 0.089 0.000 1.304 1475 L HN 0.512 nan 8.230 nan 0.000 0.441 1476 E N 1.881 122.145 120.200 0.106 0.000 2.200 1476 E HA 0.307 4.657 4.350 -0.000 0.000 0.283 1476 E C -2.476 174.221 176.600 0.162 0.000 1.015 1476 E CA -1.967 54.511 56.400 0.129 0.000 0.819 1476 E CB 1.233 31.019 29.700 0.143 0.000 1.081 1476 E HN 0.099 nan 8.360 nan 0.000 0.397 1477 P HA 0.024 nan 4.420 nan 0.000 0.264 1477 P C -1.093 176.442 177.300 0.392 0.000 1.193 1477 P CA 0.394 63.602 63.100 0.179 0.000 0.763 1477 P CB 0.515 32.190 31.700 -0.042 0.000 0.810 1478 K N 2.344 122.988 120.400 0.406 0.000 2.385 1478 K HA 0.511 4.831 4.320 -0.000 0.000 0.248 1478 K C 0.113 177.100 176.600 0.645 0.000 0.955 1478 K CA -0.471 56.110 56.287 0.490 0.000 0.816 1478 K CB 1.633 34.291 32.500 0.263 0.000 1.250 1478 K HN 0.452 nan 8.250 nan 0.000 0.434 1479 F N -0.884 119.237 119.950 0.284 0.000 2.912 1479 F HA 0.434 4.961 4.527 -0.000 0.000 0.357 1479 F C 0.091 176.009 175.800 0.196 0.000 1.003 1479 F CA -0.670 57.516 58.000 0.310 0.000 1.132 1479 F CB 0.588 39.827 39.000 0.398 0.000 1.055 1479 F HN 0.092 nan 8.300 nan 0.000 0.572 1480 I N 2.002 122.380 120.570 -0.321 0.000 2.297 1480 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 1480 I C 1.084 177.170 176.117 -0.051 0.000 1.033 1480 I CA -0.300 60.835 61.300 -0.275 0.000 1.253 1480 I CB 1.678 39.384 38.000 -0.490 0.000 1.396 1480 I HN 0.259 nan 8.210 nan 0.000 0.476 1481 S N 4.931 120.665 115.700 0.057 0.000 2.456 1481 S HA 0.375 4.845 4.470 -0.000 0.000 0.224 1481 S C 0.538 175.172 174.600 0.057 0.000 1.035 1481 S CA 0.551 58.802 58.200 0.084 0.000 0.940 1481 S CB 0.327 63.615 63.200 0.147 0.000 0.799 1481 S HN 0.779 nan 8.310 nan 0.000 0.508 1482 A N -0.003 122.871 122.820 0.090 0.000 2.601 1482 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 1482 A C -1.575 176.083 177.584 0.123 0.000 1.075 1482 A CA -0.666 51.406 52.037 0.058 0.000 0.671 1482 A CB 0.671 19.645 19.000 -0.043 0.000 1.277 1482 A HN 0.306 nan 8.150 nan 0.000 0.417 1483 I N 1.541 122.171 120.570 0.099 0.000 2.867 1483 I HA 0.148 4.318 4.170 -0.000 0.000 0.282 1483 I C -1.057 175.155 176.117 0.158 0.000 1.437 1483 I CA -0.238 61.130 61.300 0.113 0.000 0.918 1483 I CB 0.740 38.740 38.000 0.001 0.000 1.612 1483 I HN 0.688 nan 8.210 nan 0.000 0.592 1484 Y N 4.138 124.502 120.300 0.108 0.000 2.511 1484 Y HA 0.104 4.654 4.550 0.000 0.000 0.332 1484 Y C 0.220 176.163 175.900 0.072 0.000 1.177 1484 Y CA 0.176 58.325 58.100 0.083 0.000 1.422 1484 Y CB 0.502 39.043 38.460 0.135 0.000 1.271 1484 Y HN 0.363 nan 8.280 nan 0.000 0.550 1485 D N 4.234 124.258 120.400 -0.627 0.000 2.414 1485 D HA 0.084 4.724 4.640 -0.000 0.000 0.232 1485 D C 0.461 176.145 176.300 -1.028 0.000 1.070 1485 D CA -0.110 53.534 54.000 -0.593 0.000 0.839 1485 D CB 1.191 41.839 40.800 -0.255 0.000 1.079 1485 D HN 0.768 nan 8.370 nan 0.000 0.521 1486 T N 0.919 114.998 114.554 -0.791 0.000 3.215 1486 T HA 0.008 4.358 4.350 -0.000 0.000 0.254 1486 T C 0.964 175.547 174.700 -0.194 0.000 1.149 1486 T CA 0.228 62.041 62.100 -0.478 0.000 1.042 1486 T CB 0.123 68.890 68.868 -0.167 0.000 0.966 1486 T HN 0.213 nan 8.240 nan 0.000 0.534 1487 N N 2.659 121.249 118.700 -0.185 0.000 2.436 1487 N HA 0.013 4.753 4.740 -0.000 0.000 0.178 1487 N C 1.560 177.042 175.510 -0.048 0.000 1.026 1487 N CA 1.250 54.249 53.050 -0.086 0.000 0.880 1487 N CB -0.203 38.240 38.487 -0.074 0.000 1.061 1487 N HN 0.855 nan 8.380 nan 0.000 0.434 1488 N N 0.266 118.933 118.700 -0.054 0.000 2.205 1488 N HA 0.036 4.776 4.740 -0.000 0.000 0.201 1488 N C -0.601 174.929 175.510 0.033 0.000 1.128 1488 N CA -0.018 53.027 53.050 -0.008 0.000 0.867 1488 N CB 0.426 38.909 38.487 -0.007 0.000 0.996 1488 N HN -0.195 nan 8.380 nan 0.000 0.503 1489 Q N -0.401 119.423 119.800 0.040 0.000 2.487 1489 Q HA -0.186 4.154 4.340 -0.000 0.000 0.279 1489 Q C -0.606 175.593 176.000 0.332 0.000 1.228 1489 Q CA 0.970 56.921 55.803 0.246 0.000 0.873 1489 Q CB -2.061 26.793 28.738 0.194 0.000 1.260 1489 Q HN 0.720 nan 8.270 nan 0.000 0.471 1490 S N -0.852 114.981 115.700 0.221 0.000 2.501 1490 S HA 0.917 5.387 4.470 -0.000 0.000 0.301 1490 S C 0.085 174.851 174.600 0.276 0.000 1.096 1490 S CA -0.156 58.159 58.200 0.192 0.000 1.063 1490 S CB 1.447 64.695 63.200 0.080 0.000 1.042 1490 S HN 0.801 nan 8.310 nan 0.000 0.494 1491 V N 1.663 121.707 119.914 0.217 0.000 2.919 1491 V HA 0.932 5.052 4.120 -0.000 0.000 0.316 1491 V C -0.195 175.944 176.094 0.074 0.000 1.077 1491 V CA -1.381 61.030 62.300 0.186 0.000 0.977 1491 V CB 1.630 33.502 31.823 0.081 0.000 1.039 1491 V HN 0.823 nan 8.190 nan 0.000 0.441 1492 R N 2.965 123.494 120.500 0.049 0.000 2.412 1492 R HA 0.475 4.815 4.340 -0.000 0.000 0.304 1492 R C -0.984 175.315 176.300 -0.003 0.000 1.066 1492 R CA -0.551 55.559 56.100 0.017 0.000 0.923 1492 R CB 1.568 31.870 30.300 0.004 0.000 1.156 1492 R HN 0.795 nan 8.270 nan 0.000 0.513 1493 K N 1.211 121.604 120.400 -0.012 0.000 2.174 1493 K HA 0.212 4.532 4.320 -0.000 0.000 0.275 1493 K C 0.650 177.244 176.600 -0.010 0.000 1.015 1493 K CA -0.253 56.022 56.287 -0.020 0.000 0.933 1493 K CB 1.327 33.808 32.500 -0.031 0.000 1.025 1493 K HN 0.532 nan 8.250 nan 0.000 0.463 1494 S N 2.208 117.904 115.700 -0.005 0.000 2.546 1494 S HA 0.355 4.825 4.470 -0.000 0.000 0.265 1494 S C -0.244 174.361 174.600 0.009 0.000 1.190 1494 S CA -0.517 57.684 58.200 0.002 0.000 1.014 1494 S CB 0.756 63.960 63.200 0.007 0.000 1.087 1494 S HN 0.482 nan 8.310 nan 0.000 0.525 1495 Q N -0.536 119.275 119.800 0.018 0.000 2.776 1495 Q HA 0.262 4.602 4.340 -0.000 0.000 0.289 1495 Q C -1.627 174.393 176.000 0.033 0.000 0.912 1495 Q CA -0.674 55.141 55.803 0.020 0.000 0.789 1495 Q CB 1.694 30.439 28.738 0.012 0.000 1.498 1495 Q HN 0.959 nan 8.270 nan 0.000 0.408 1496 K N 0.055 120.475 120.400 0.034 0.000 2.276 1496 K HA 0.388 4.708 4.320 -0.000 0.000 0.259 1496 K C -0.254 176.372 176.600 0.044 0.000 1.001 1496 K CA -0.175 56.140 56.287 0.046 0.000 0.927 1496 K CB 1.029 33.554 32.500 0.041 0.000 0.969 1496 K HN 0.483 nan 8.250 nan 0.000 0.490 1497 E N 2.212 122.447 120.200 0.059 0.000 2.218 1497 E HA 0.237 4.587 4.350 -0.000 0.000 0.263 1497 E C -1.052 175.587 176.600 0.065 0.000 0.879 1497 E CA -0.695 55.739 56.400 0.058 0.000 0.762 1497 E CB 1.157 30.901 29.700 0.073 0.000 1.166 1497 E HN 0.534 nan 8.360 nan 0.000 0.415 1498 I N 5.017 125.617 120.570 0.050 0.000 2.371 1498 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 1498 I C 1.070 177.244 176.117 0.095 0.000 1.028 1498 I CA -0.247 61.092 61.300 0.065 0.000 1.345 1498 I CB 1.166 39.166 38.000 -0.000 0.000 1.407 1498 I HN 0.462 nan 8.210 nan 0.000 0.501 1499 V N 2.364 122.342 119.914 0.106 0.000 3.380 1499 V HA 0.698 4.818 4.120 -0.000 0.000 0.307 1499 V C 0.495 176.642 176.094 0.088 0.000 1.434 1499 V CA 0.219 62.582 62.300 0.105 0.000 1.075 1499 V CB -0.294 31.581 31.823 0.086 0.000 0.954 1499 V HN 0.944 nan 8.190 nan 0.000 0.444 1500 G N 0.384 109.247 108.800 0.105 0.000 2.327 1500 G HA2 0.298 4.258 3.960 -0.000 0.000 0.291 1500 G HA3 0.298 4.258 3.960 -0.000 0.000 0.291 1500 G C -1.452 173.473 174.900 0.042 0.000 1.290 1500 G CA -0.171 44.955 45.100 0.042 0.000 0.857 1500 G HN 0.207 nan 8.290 nan 0.000 0.520 1501 N N 0.729 119.352 118.700 -0.128 0.000 2.639 1501 N HA 0.274 5.014 4.740 -0.000 0.000 0.265 1501 N C -1.362 173.957 175.510 -0.319 0.000 1.689 1501 N CA -0.893 51.999 53.050 -0.263 0.000 0.813 1501 N CB 1.515 39.724 38.487 -0.462 0.000 1.353 1501 N HN 0.271 nan 8.380 nan 0.000 0.510 1502 P HA -0.126 nan 4.420 nan 0.000 0.215 1502 P C 0.491 177.528 177.300 -0.439 0.000 1.157 1502 P CA 1.494 64.179 63.100 -0.691 0.000 0.874 1502 P CB 0.265 31.065 31.700 -1.499 0.000 0.790 1503 V N -4.301 115.459 119.914 -0.256 0.000 3.160 1503 V HA 0.657 4.777 4.120 -0.000 0.000 0.310 1503 V C -0.086 175.975 176.094 -0.055 0.000 1.181 1503 V CA -0.965 61.309 62.300 -0.042 0.000 1.047 1503 V CB 1.377 33.260 31.823 0.099 0.000 1.068 1503 V HN 0.226 nan 8.190 nan 0.000 0.441 1504 S N 0.621 116.312 115.700 -0.015 0.000 2.585 1504 S HA 0.251 4.721 4.470 -0.000 0.000 0.273 1504 S C 1.008 175.603 174.600 -0.008 0.000 1.339 1504 S CA 0.478 58.658 58.200 -0.034 0.000 1.028 1504 S CB 0.998 64.190 63.200 -0.013 0.000 0.906 1504 S HN 1.148 nan 8.310 nan 0.000 0.528 1505 K N 1.487 121.873 120.400 -0.023 0.000 2.032 1505 K HA -0.254 4.066 4.320 -0.000 0.000 0.218 1505 K C 1.607 178.220 176.600 0.022 0.000 1.054 1505 K CA 2.410 58.699 56.287 0.003 0.000 0.941 1505 K CB -0.444 32.056 32.500 -0.000 0.000 0.720 1505 K HN 0.767 nan 8.250 nan 0.000 0.449 1506 E N 0.114 120.324 120.200 0.017 0.000 2.153 1506 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 1506 E C 1.764 178.387 176.600 0.038 0.000 0.988 1506 E CA 1.287 57.702 56.400 0.025 0.000 0.811 1506 E CB -0.255 29.455 29.700 0.016 0.000 0.746 1506 E HN 0.493 nan 8.360 nan 0.000 0.466 1507 A N 0.839 123.687 122.820 0.046 0.000 1.968 1507 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 1507 A C 2.299 179.935 177.584 0.087 0.000 1.169 1507 A CA 1.474 53.551 52.037 0.068 0.000 0.638 1507 A CB -0.620 18.427 19.000 0.078 0.000 0.812 1507 A HN 0.281 nan 8.150 nan 0.000 0.446 1508 A N -0.543 122.328 122.820 0.085 0.000 1.841 1508 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 1508 A C 2.465 180.105 177.584 0.092 0.000 1.195 1508 A CA 2.137 54.236 52.037 0.104 0.000 0.611 1508 A CB -1.283 17.775 19.000 0.096 0.000 0.835 1508 A HN 0.634 nan 8.150 nan 0.000 0.443 1509 S N -0.725 115.018 115.700 0.071 0.000 2.381 1509 S HA -0.240 4.230 4.470 -0.000 0.000 0.230 1509 S C 2.005 176.647 174.600 0.069 0.000 1.052 1509 S CA 2.669 60.906 58.200 0.063 0.000 1.068 1509 S CB -0.827 62.401 63.200 0.046 0.000 0.918 1509 S HN 0.641 nan 8.310 nan 0.000 0.448 1510 T N 0.824 115.418 114.554 0.067 0.000 2.833 1510 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 1510 T C 1.897 176.662 174.700 0.108 0.000 1.054 1510 T CA 1.797 63.939 62.100 0.070 0.000 1.135 1510 T CB -0.744 68.152 68.868 0.046 0.000 0.869 1510 T HN 0.564 nan 8.240 nan 0.000 0.466 1511 T N 1.643 116.266 114.554 0.114 0.000 2.851 1511 T HA 0.036 4.386 4.350 -0.000 0.000 0.262 1511 T C 2.143 176.935 174.700 0.152 0.000 1.043 1511 T CA 0.617 62.802 62.100 0.141 0.000 1.140 1511 T CB -0.089 68.863 68.868 0.140 0.000 0.872 1511 T HN 0.311 nan 8.240 nan 0.000 0.446 1512 R N 1.173 121.746 120.500 0.123 0.000 2.120 1512 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 1512 R C 2.422 178.781 176.300 0.099 0.000 1.123 1512 R CA 0.994 57.157 56.100 0.106 0.000 0.975 1512 R CB -0.191 30.161 30.300 0.087 0.000 0.866 1512 R HN 0.360 nan 8.270 nan 0.000 0.446 1513 N N 0.043 118.803 118.700 0.100 0.000 2.109 1513 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 1513 N C 1.667 177.237 175.510 0.100 0.000 1.034 1513 N CA 0.955 54.054 53.050 0.082 0.000 0.846 1513 N CB -0.346 38.183 38.487 0.069 0.000 1.010 1513 N HN 0.320 nan 8.380 nan 0.000 0.425 1514 H N 0.371 119.466 119.070 0.042 0.000 2.568 1514 H HA 0.053 4.609 4.556 -0.000 0.000 0.281 1514 H C 1.399 176.758 175.328 0.053 0.000 1.028 1514 H CA 0.667 56.743 56.048 0.046 0.000 1.199 1514 H CB 0.189 29.989 29.762 0.064 0.000 1.352 1514 H HN 0.240 nan 8.280 nan 0.000 0.605 1515 M N -0.715 118.970 119.600 0.142 0.000 2.516 1515 M HA 0.067 4.547 4.480 -0.000 0.000 0.259 1515 M C 1.988 178.310 176.300 0.036 0.000 1.146 1515 M CA 0.205 55.566 55.300 0.101 0.000 1.122 1515 M CB 0.534 33.204 32.600 0.116 0.000 1.341 1515 M HN 0.140 nan 8.290 nan 0.000 0.478 1516 I N -0.037 120.547 120.570 0.023 0.000 2.353 1516 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 1516 I C 1.951 178.056 176.117 -0.020 0.000 1.119 1516 I CA 0.884 62.189 61.300 0.008 0.000 1.417 1516 I CB -0.429 37.578 38.000 0.012 0.000 1.078 1516 I HN 0.233 nan 8.210 nan 0.000 0.421 1517 L N 1.172 122.361 121.223 -0.057 0.000 2.211 1517 L HA -0.280 4.060 4.340 -0.000 0.000 0.216 1517 L C 2.923 179.753 176.870 -0.067 0.000 1.092 1517 L CA 1.618 56.404 54.840 -0.091 0.000 0.767 1517 L CB -1.143 40.797 42.059 -0.198 0.000 0.894 1517 L HN 0.363 nan 8.230 nan 0.000 0.437 1518 V N -0.343 119.542 119.914 -0.048 0.000 2.636 1518 V HA -0.239 3.881 4.120 -0.000 0.000 0.258 1518 V C 1.995 178.079 176.094 -0.017 0.000 1.092 1518 V CA 2.596 64.882 62.300 -0.025 0.000 1.110 1518 V CB -0.900 30.922 31.823 -0.001 0.000 0.685 1518 V HN 0.449 nan 8.190 nan 0.000 0.481 1519 G N -1.512 107.278 108.800 -0.016 0.000 2.754 1519 G HA2 0.283 4.243 3.960 -0.000 0.000 0.210 1519 G HA3 0.283 4.243 3.960 -0.000 0.000 0.210 1519 G C 0.647 175.537 174.900 -0.015 0.000 2.092 1519 G CA 0.763 45.857 45.100 -0.010 0.000 0.766 1519 G HN 0.364 nan 8.290 nan 0.000 0.745 1536 I N -0.445 120.131 120.570 0.009 0.000 2.315 1536 I HA 0.121 4.291 4.170 -0.000 0.000 0.233 1536 I C 0.599 176.719 176.117 0.006 0.000 1.067 1536 I CA 0.701 62.007 61.300 0.010 0.000 1.376 1536 I CB -0.125 37.888 38.000 0.021 0.000 1.143 1536 I HN 0.002 nan 8.210 nan 0.000 0.421 1537 I N 2.199 122.775 120.570 0.010 0.000 2.307 1537 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 1537 I C -0.205 175.917 176.117 0.009 0.000 1.054 1537 I CA -0.175 61.130 61.300 0.009 0.000 1.218 1537 I CB 0.609 38.618 38.000 0.017 0.000 1.398 1537 I HN 0.284 nan 8.210 nan 0.000 0.475 1538 T N 2.840 117.396 114.554 0.004 0.000 2.893 1538 T HA 0.782 5.132 4.350 -0.000 0.000 0.291 1538 T C -0.651 174.049 174.700 0.000 0.000 1.028 1538 T CA -0.732 61.370 62.100 0.004 0.000 0.995 1538 T CB 2.251 71.120 68.868 0.001 0.000 1.051 1538 T HN 0.097 nan 8.240 nan 0.000 0.470 1539 V N 2.804 122.721 119.914 0.003 0.000 2.709 1539 V HA 0.472 4.592 4.120 -0.000 0.000 0.308 1539 V C -2.505 173.590 176.094 0.001 0.000 1.062 1539 V CA -2.390 59.910 62.300 -0.001 0.000 0.901 1539 V CB 1.832 33.658 31.823 0.007 0.000 1.003 1539 V HN 0.818 nan 8.190 nan 0.000 0.425 1540 P HA -0.007 nan 4.420 nan 0.000 0.243 1540 P C 0.912 178.215 177.300 0.004 0.000 1.107 1540 P CA 1.768 64.866 63.100 -0.004 0.000 0.848 1540 P CB -0.190 31.504 31.700 -0.010 0.000 0.771 1541 G N 2.479 111.282 108.800 0.005 0.000 2.305 1541 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 1541 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 1541 G C -0.211 174.698 174.900 0.015 0.000 1.036 1541 G CA -0.204 44.902 45.100 0.009 0.000 0.887 1541 G HN 0.581 nan 8.290 nan 0.000 0.505 1542 Q N -0.464 119.346 119.800 0.017 0.000 2.359 1542 Q HA 0.340 4.680 4.340 -0.000 0.000 0.274 1542 Q C -0.597 175.416 176.000 0.023 0.000 1.074 1542 Q CA -1.016 54.801 55.803 0.025 0.000 0.810 1542 Q CB 1.517 30.277 28.738 0.036 0.000 1.342 1542 Q HN 0.304 nan 8.270 nan 0.000 0.427 1543 N N 1.018 119.733 118.700 0.024 0.000 2.499 1543 N HA 0.299 5.039 4.740 -0.000 0.000 0.281 1543 N C -0.982 174.546 175.510 0.029 0.000 1.098 1543 N CA -0.085 52.978 53.050 0.022 0.000 0.979 1543 N CB 1.747 40.246 38.487 0.021 0.000 1.121 1543 N HN 0.196 nan 8.380 nan 0.000 0.466 1544 V N 1.401 121.331 119.914 0.027 0.000 2.376 1544 V HA 0.340 4.460 4.120 -0.000 0.000 0.287 1544 V C 0.311 176.424 176.094 0.032 0.000 1.015 1544 V CA -1.131 61.189 62.300 0.033 0.000 0.834 1544 V CB 1.080 32.921 31.823 0.030 0.000 1.001 1544 V HN 0.765 nan 8.190 nan 0.000 0.428 1545 A N 4.461 127.304 122.820 0.038 0.000 2.546 1545 A HA 0.683 5.003 4.320 -0.000 0.000 0.243 1545 A C 0.016 177.616 177.584 0.027 0.000 1.063 1545 A CA 0.800 52.861 52.037 0.040 0.000 0.757 1545 A CB -0.023 19.007 19.000 0.050 0.000 0.991 1545 A HN 1.799 nan 8.150 nan 0.000 0.503 1546 V N 1.266 121.198 119.914 0.030 0.000 3.178 1546 V HA 0.907 5.027 4.120 -0.000 0.000 0.302 1546 V C -0.618 175.497 176.094 0.036 0.000 1.262 1546 V CA -0.954 61.359 62.300 0.021 0.000 1.030 1546 V CB 2.300 34.137 31.823 0.023 0.000 1.074 1546 V HN 1.000 nan 8.190 nan 0.000 0.438 1547 K N 1.359 121.780 120.400 0.035 0.000 2.587 1547 K HA 0.650 4.970 4.320 -0.000 0.000 0.256 1547 K C -1.174 175.460 176.600 0.057 0.000 0.974 1547 K CA 0.047 56.366 56.287 0.054 0.000 0.855 1547 K CB 1.956 34.505 32.500 0.081 0.000 1.292 1547 K HN 0.779 nan 8.250 nan 0.000 0.444 1548 S N 2.493 118.221 115.700 0.047 0.000 2.543 1548 S HA 0.407 4.877 4.470 -0.000 0.000 0.299 1548 S C 0.311 174.911 174.600 0.001 0.000 1.125 1548 S CA -0.541 57.687 58.200 0.047 0.000 1.098 1548 S CB 0.872 64.109 63.200 0.062 0.000 1.063 1548 S HN 0.786 nan 8.310 nan 0.000 0.493 1549 G N 1.682 110.491 108.800 0.016 0.000 2.732 1549 G HA2 0.373 4.333 3.960 -0.000 0.000 0.244 1549 G HA3 0.373 4.333 3.960 -0.000 0.000 0.244 1549 G C -0.356 174.420 174.900 -0.206 0.000 1.226 1549 G CA -0.183 44.893 45.100 -0.041 0.000 0.860 1549 G HN 0.512 nan 8.290 nan 0.000 0.583 1550 T N 0.125 114.518 114.554 -0.268 0.000 3.305 1550 T HA 0.513 4.863 4.350 -0.000 0.000 0.309 1550 T C 0.004 174.483 174.700 -0.369 0.000 0.889 1550 T CA -0.012 61.778 62.100 -0.518 0.000 1.386 1550 T CB 0.787 69.284 68.868 -0.620 0.000 0.929 1550 T HN 0.945 nan 8.240 nan 0.000 0.538 1551 A N 2.763 125.454 122.820 -0.214 0.000 2.331 1551 A HA 0.631 4.951 4.320 -0.000 0.000 0.283 1551 A C 0.255 177.849 177.584 0.016 0.000 1.142 1551 A CA -0.615 51.384 52.037 -0.063 0.000 0.812 1551 A CB 0.535 19.575 19.000 0.067 0.000 1.074 1551 A HN 0.677 nan 8.150 nan 0.000 0.497 1552 Q N 1.462 121.243 119.800 -0.032 0.000 2.261 1552 Q HA 0.432 4.772 4.340 -0.000 0.000 0.252 1552 Q C -0.654 175.456 176.000 0.183 0.000 0.915 1552 Q CA 0.017 55.835 55.803 0.024 0.000 0.915 1552 Q CB 1.460 29.926 28.738 -0.454 0.000 1.204 1552 Q HN 0.697 nan 8.270 nan 0.000 0.421 1553 I N 1.149 121.883 120.570 0.275 0.000 2.677 1553 I HA 0.327 4.497 4.170 -0.000 0.000 0.305 1553 I C 0.152 176.473 176.117 0.340 0.000 0.988 1553 I CA -0.669 60.800 61.300 0.281 0.000 1.260 1553 I CB 1.314 39.408 38.000 0.157 0.000 1.410 1553 I HN 0.597 nan 8.210 nan 0.000 0.523 1554 A N 3.343 126.269 122.820 0.177 0.000 2.331 1554 A HA 0.172 4.492 4.320 -0.000 0.000 0.283 1554 A C -0.364 177.214 177.584 -0.011 0.000 1.142 1554 A CA -0.376 51.661 52.037 0.001 0.000 0.812 1554 A CB 0.286 19.269 19.000 -0.029 0.000 1.074 1554 A HN 0.737 nan 8.150 nan 0.000 0.497 1555 D N 2.255 122.615 120.400 -0.066 0.000 2.428 1555 D HA 0.103 4.743 4.640 -0.000 0.000 0.221 1555 D C 0.529 176.802 176.300 -0.045 0.000 1.123 1555 D CA -0.161 53.815 54.000 -0.040 0.000 0.869 1555 D CB 0.672 41.446 40.800 -0.044 0.000 1.032 1555 D HN 0.615 nan 8.370 nan 0.000 0.506 1556 E N 2.371 122.557 120.200 -0.023 0.000 2.418 1556 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 1556 E C 1.575 178.164 176.600 -0.018 0.000 1.026 1556 E CA 0.474 56.863 56.400 -0.018 0.000 0.862 1556 E CB 0.198 29.896 29.700 -0.004 0.000 0.799 1556 E HN 0.534 nan 8.360 nan 0.000 0.518 1557 K N 2.821 123.209 120.400 -0.019 0.000 2.074 1557 K HA -0.023 4.297 4.320 -0.000 0.000 0.214 1557 K C 1.331 177.919 176.600 -0.020 0.000 1.029 1557 K CA 1.062 57.339 56.287 -0.017 0.000 0.966 1557 K CB -1.148 31.343 32.500 -0.015 0.000 0.945 1557 K HN 0.232 nan 8.250 nan 0.000 0.453 1558 N N 0.805 119.492 118.700 -0.021 0.000 2.378 1558 N HA 0.230 4.970 4.740 -0.000 0.000 0.243 1558 N C 0.632 176.123 175.510 -0.031 0.000 1.137 1558 N CA 0.649 53.686 53.050 -0.022 0.000 0.862 1558 N CB -0.388 38.089 38.487 -0.017 0.000 1.116 1558 N HN 0.848 nan 8.380 nan 0.000 0.499 1559 G N -0.650 108.123 108.800 -0.044 0.000 2.953 1559 G HA2 0.202 4.162 3.960 -0.000 0.000 0.421 1559 G HA3 0.202 4.162 3.960 -0.000 0.000 0.421 1559 G C 0.238 175.088 174.900 -0.083 0.000 1.531 1559 G CA -0.009 45.048 45.100 -0.072 0.000 0.971 1559 G HN 1.194 nan 8.290 nan 0.000 0.558 1560 G N -1.315 107.394 108.800 -0.152 0.000 2.301 1560 G HA2 0.403 4.363 3.960 -0.000 0.000 0.194 1560 G HA3 0.403 4.363 3.960 -0.000 0.000 0.194 1560 G C -0.866 173.875 174.900 -0.265 0.000 1.266 1560 G CA 0.396 45.410 45.100 -0.143 0.000 1.210 1560 G HN 1.983 nan 8.290 nan 0.000 0.524 1561 Y N 1.020 121.325 120.300 0.009 0.000 2.517 1561 Y HA 0.485 5.035 4.550 0.000 0.000 0.346 1561 Y C 0.861 176.750 175.900 -0.019 0.000 1.113 1561 Y CA -0.892 57.215 58.100 0.011 0.000 1.295 1561 Y CB 0.547 39.026 38.460 0.033 0.000 1.094 1561 Y HN 0.640 nan 8.280 nan 0.000 0.608 1562 L N 2.247 123.532 121.223 0.103 0.000 3.574 1562 L HA -0.197 4.143 4.340 -0.000 0.000 0.416 1562 L C 0.770 177.613 176.870 -0.045 0.000 1.112 1562 L CA 0.508 55.355 54.840 0.012 0.000 0.745 1562 L CB -0.287 41.763 42.059 -0.014 0.000 1.110 1562 L HN 0.347 nan 8.230 nan 0.000 0.747 1563 V N 3.710 123.591 119.914 -0.054 0.000 3.403 1563 V HA 0.870 4.990 4.120 -0.000 0.000 0.305 1563 V C 0.706 176.711 176.094 -0.148 0.000 1.060 1563 V CA 0.548 62.797 62.300 -0.085 0.000 1.053 1563 V CB 1.621 33.423 31.823 -0.035 0.000 1.198 1563 V HN 1.099 nan 8.190 nan 0.000 0.447 1564 G N 1.868 110.588 108.800 -0.133 0.000 3.209 1564 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 1564 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 1564 G C -0.271 174.520 174.900 -0.181 0.000 1.065 1564 G CA -0.182 44.844 45.100 -0.123 0.000 0.812 1564 G HN 1.865 nan 8.290 nan 0.000 0.573 1565 S N 1.486 117.169 115.700 -0.028 0.000 2.564 1565 S HA 0.498 4.968 4.470 -0.000 0.000 0.263 1565 S C 1.989 176.635 174.600 0.077 0.000 1.378 1565 S CA 1.520 59.786 58.200 0.110 0.000 0.996 1565 S CB 1.138 64.417 63.200 0.130 0.000 0.881 1565 S HN 2.955 nan 8.310 nan 0.000 0.555 1566 T N -1.652 113.106 114.554 0.339 0.000 12.278 1566 T HA -0.410 3.940 4.350 -0.000 0.000 0.418 1566 T C 0.287 175.160 174.700 0.288 0.000 1.446 1566 T CA 1.580 63.891 62.100 0.351 0.000 2.394 1566 T CB -2.624 66.291 68.868 0.080 0.000 2.852 1566 T HN 1.066 nan 8.240 nan 0.000 0.835 1567 N N 2.701 121.330 118.700 -0.117 0.000 2.453 1567 N HA 0.355 5.095 4.740 -0.000 0.000 0.302 1567 N C -0.908 174.346 175.510 -0.427 0.000 1.241 1567 N CA 0.501 53.402 53.050 -0.247 0.000 1.129 1567 N CB -0.920 37.381 38.487 -0.309 0.000 1.482 1567 N HN 0.726 nan 8.380 nan 0.000 0.494 1568 Y N 0.013 120.425 120.300 0.186 0.000 2.689 1568 Y HA 0.369 4.919 4.550 0.000 0.000 0.333 1568 Y C -0.148 175.841 175.900 0.148 0.000 1.208 1568 Y CA -0.955 57.181 58.100 0.060 0.000 1.055 1568 Y CB 1.023 39.322 38.460 -0.269 0.000 1.304 1568 Y HN -0.029 nan 8.280 nan 0.000 0.455 1569 I N 3.185 123.881 120.570 0.210 0.000 2.282 1569 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 1569 I C -1.057 175.091 176.117 0.051 0.000 1.090 1569 I CA -0.267 61.132 61.300 0.164 0.000 1.231 1569 I CB -0.195 37.891 38.000 0.143 0.000 1.434 1569 I HN 0.314 nan 8.210 nan 0.000 0.487 1570 F N 4.764 124.634 119.950 -0.134 0.000 2.456 1570 F HA 0.216 4.743 4.527 -0.000 0.000 0.358 1570 F C 1.057 176.769 175.800 -0.147 0.000 1.095 1570 F CA -0.098 57.746 58.000 -0.261 0.000 1.216 1570 F CB 0.854 39.470 39.000 -0.640 0.000 1.125 1570 F HN 0.411 nan 8.300 nan 0.000 0.549 1571 S N 1.513 117.222 115.700 0.015 0.000 2.806 1571 S HA 0.994 5.464 4.470 -0.000 0.000 0.306 1571 S C -0.997 173.647 174.600 0.072 0.000 1.167 1571 S CA -0.518 57.702 58.200 0.034 0.000 0.847 1571 S CB 2.051 65.311 63.200 0.100 0.000 1.216 1571 S HN 1.309 nan 8.310 nan 0.000 0.532 1572 A N -0.133 122.742 122.820 0.092 0.000 2.596 1572 A HA 0.579 4.899 4.320 -0.000 0.000 0.305 1572 A C -1.671 175.985 177.584 0.121 0.000 1.032 1572 A CA -0.562 51.535 52.037 0.100 0.000 0.776 1572 A CB 0.490 19.537 19.000 0.078 0.000 1.253 1572 A HN 1.426 nan 8.150 nan 0.000 0.402 1573 V N 1.561 121.507 119.914 0.053 0.000 2.656 1573 V HA 0.896 5.016 4.120 -0.000 0.000 0.307 1573 V C 0.096 176.132 176.094 -0.098 0.000 1.051 1573 V CA 0.054 62.298 62.300 -0.094 0.000 0.893 1573 V CB 2.108 33.601 31.823 -0.550 0.000 0.999 1573 V HN 1.523 nan 8.190 nan 0.000 0.426 1574 T N 1.967 116.476 114.554 -0.075 0.000 2.921 1574 T HA 0.778 5.128 4.350 -0.000 0.000 0.297 1574 T C -0.910 173.784 174.700 -0.008 0.000 1.013 1574 T CA -0.673 61.413 62.100 -0.023 0.000 0.990 1574 T CB 1.572 70.451 68.868 0.019 0.000 1.023 1574 T HN 0.454 nan 8.240 nan 0.000 0.447 1575 M N 4.570 124.177 119.600 0.011 0.000 2.181 1575 M HA 0.472 4.952 4.480 -0.000 0.000 0.323 1575 M C -0.545 175.798 176.300 0.071 0.000 1.004 1575 M CA -0.768 54.559 55.300 0.045 0.000 0.941 1575 M CB 1.714 34.337 32.600 0.037 0.000 1.579 1575 M HN 0.857 nan 8.290 nan 0.000 0.427 1576 N N 3.252 122.020 118.700 0.113 0.000 2.235 1576 N HA 0.607 5.347 4.740 -0.000 0.000 0.293 1576 N C -3.447 172.150 175.510 0.145 0.000 1.083 1576 N CA -1.643 51.479 53.050 0.121 0.000 0.801 1576 N CB 2.605 41.169 38.487 0.128 0.000 1.559 1576 N HN 0.152 nan 8.380 nan 0.000 0.472 1577 P HA 0.207 nan 4.420 nan 0.000 0.275 1577 P C 0.319 177.654 177.300 0.058 0.000 1.270 1577 P CA 0.096 63.239 63.100 0.072 0.000 0.791 1577 P CB 0.572 32.306 31.700 0.056 0.000 1.089 1578 A N -0.086 122.764 122.820 0.049 0.000 1.935 1578 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 1578 A C 1.844 179.455 177.584 0.045 0.000 1.178 1578 A CA 1.341 53.406 52.037 0.047 0.000 0.640 1578 A CB -1.094 17.932 19.000 0.043 0.000 0.825 1578 A HN 0.435 nan 8.150 nan 0.000 0.447 1579 E N 0.429 120.652 120.200 0.038 0.000 2.005 1579 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 1579 E C 1.037 177.657 176.600 0.033 0.000 1.010 1579 E CA 1.450 57.870 56.400 0.034 0.000 0.825 1579 E CB -0.146 29.571 29.700 0.028 0.000 0.769 1579 E HN 0.696 nan 8.360 nan 0.000 0.456 1580 N N 0.196 118.913 118.700 0.028 0.000 2.841 1580 N HA 0.207 4.947 4.740 -0.000 0.000 0.257 1580 N C -2.794 172.723 175.510 0.011 0.000 1.396 1580 N CA -1.764 51.299 53.050 0.021 0.000 0.823 1580 N CB 0.681 39.178 38.487 0.016 0.000 1.162 1580 N HN -0.144 nan 8.380 nan 0.000 0.503 1581 P HA -0.062 nan 4.420 nan 0.000 0.263 1581 P C -0.536 176.725 177.300 -0.064 0.000 1.162 1581 P CA 0.481 63.584 63.100 0.004 0.000 0.758 1581 P CB 0.677 32.393 31.700 0.027 0.000 0.773 1582 D N 1.104 121.426 120.400 -0.131 0.000 2.473 1582 D HA 0.156 4.796 4.640 -0.000 0.000 0.242 1582 D C -0.171 175.654 176.300 -0.792 0.000 1.106 1582 D CA 0.706 54.435 54.000 -0.451 0.000 0.854 1582 D CB 0.366 40.847 40.800 -0.533 0.000 1.192 1582 D HN 0.251 nan 8.370 nan 0.000 0.503 1583 F N 0.948 120.920 119.950 0.037 0.000 2.573 1583 F HA 0.448 4.975 4.527 -0.000 0.000 0.316 1583 F C -0.318 175.502 175.800 0.033 0.000 1.148 1583 F CA -0.775 57.247 58.000 0.038 0.000 0.940 1583 F CB 1.897 40.916 39.000 0.030 0.000 1.214 1583 F HN -0.344 nan 8.300 nan 0.000 0.448 1584 I N 4.902 125.600 120.570 0.212 0.000 2.330 1584 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 1584 I C -1.068 175.126 176.117 0.128 0.000 1.001 1584 I CA -0.784 60.589 61.300 0.121 0.000 1.193 1584 I CB 1.489 39.550 38.000 0.102 0.000 1.345 1584 I HN 0.351 nan 8.210 nan 0.000 0.461 1585 L N 8.412 129.687 121.223 0.087 0.000 2.329 1585 L HA 0.498 4.838 4.340 -0.000 0.000 0.279 1585 L C -1.467 175.477 176.870 0.124 0.000 1.014 1585 L CA -0.452 54.453 54.840 0.109 0.000 0.814 1585 L CB 1.370 43.485 42.059 0.092 0.000 1.257 1585 L HN 0.438 nan 8.230 nan 0.000 0.424 1586 Y N 5.165 125.465 120.300 0.001 0.000 2.344 1586 Y HA 0.643 5.193 4.550 -0.000 0.000 0.328 1586 Y C -1.604 174.321 175.900 0.041 0.000 1.067 1586 Y CA -0.977 57.118 58.100 -0.007 0.000 1.247 1586 Y CB 1.173 39.662 38.460 0.048 0.000 1.113 1586 Y HN 0.379 nan 8.280 nan 0.000 0.465 1587 V N 4.326 124.102 119.914 -0.229 0.000 2.732 1587 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 1587 V C -0.289 175.573 176.094 -0.388 0.000 1.053 1587 V CA -0.439 61.684 62.300 -0.295 0.000 0.957 1587 V CB 1.985 33.673 31.823 -0.225 0.000 1.018 1587 V HN 0.793 nan 8.190 nan 0.000 0.452 1588 T N 0.022 114.395 114.554 -0.302 0.000 3.071 1588 T HA 0.721 5.071 4.350 -0.000 0.000 0.311 1588 T C -1.225 173.422 174.700 -0.087 0.000 1.042 1588 T CA -0.608 61.364 62.100 -0.214 0.000 1.028 1588 T CB 1.466 70.124 68.868 -0.349 0.000 1.068 1588 T HN 0.369 nan 8.240 nan 0.000 0.451 1589 V N 3.445 123.365 119.914 0.009 0.000 2.444 1589 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 1589 V C -0.313 175.805 176.094 0.039 0.000 1.022 1589 V CA -0.702 61.593 62.300 -0.009 0.000 0.850 1589 V CB 1.639 33.454 31.823 -0.012 0.000 0.992 1589 V HN 1.028 nan 8.190 nan 0.000 0.426 1590 Q N 3.972 123.787 119.800 0.025 0.000 2.347 1590 Q HA 0.480 4.820 4.340 -0.000 0.000 0.262 1590 Q C -0.606 175.384 176.000 -0.017 0.000 0.980 1590 Q CA -0.445 55.401 55.803 0.071 0.000 0.867 1590 Q CB 0.876 29.692 28.738 0.130 0.000 1.242 1590 Q HN 0.764 nan 8.270 nan 0.000 0.453 1591 Q N 2.458 122.275 119.800 0.027 0.000 2.457 1591 Q HA -0.152 4.188 4.340 -0.000 0.000 0.333 1591 Q C -2.389 173.514 176.000 -0.161 0.000 1.448 1591 Q CA 0.377 56.150 55.803 -0.049 0.000 0.891 1591 Q CB -1.232 27.460 28.738 -0.077 0.000 1.142 1591 Q HN 0.555 nan 8.270 nan 0.000 0.375 1592 P HA 0.066 nan 4.420 nan 0.000 0.284 1592 P C 0.032 177.144 177.300 -0.313 0.000 1.258 1592 P CA -0.311 62.610 63.100 -0.299 0.000 0.824 1592 P CB 1.032 32.527 31.700 -0.342 0.000 1.038 1593 E N 0.325 120.267 120.200 -0.431 0.000 2.110 1593 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 1593 E C 0.440 176.683 176.600 -0.596 0.000 0.988 1593 E CA 1.287 57.334 56.400 -0.588 0.000 0.804 1593 E CB -0.099 29.054 29.700 -0.911 0.000 0.745 1593 E HN 0.604 nan 8.360 nan 0.000 0.458 1594 H N -2.392 116.615 119.070 -0.105 0.000 2.931 1594 H HA 0.438 4.994 4.556 0.000 0.000 0.331 1594 H C -1.407 173.881 175.328 -0.067 0.000 1.273 1594 H CA -0.792 55.214 56.048 -0.070 0.000 1.171 1594 H CB 1.181 30.901 29.762 -0.071 0.000 1.898 1594 H HN -0.041 nan 8.280 nan 0.000 0.562 1595 Y N 0.284 120.565 120.300 -0.031 0.000 2.243 1595 Y HA 0.229 4.779 4.550 -0.000 0.000 0.315 1595 Y C -1.350 174.558 175.900 0.013 0.000 1.286 1595 Y CA -0.312 57.718 58.100 -0.118 0.000 1.230 1595 Y CB 1.474 39.672 38.460 -0.436 0.000 1.295 1595 Y HN 0.649 nan 8.280 nan 0.000 0.401 1596 S N 3.254 118.762 115.700 -0.320 0.000 2.552 1596 S HA 0.482 4.952 4.470 -0.000 0.000 0.314 1596 S C 0.979 175.475 174.600 -0.173 0.000 1.099 1596 S CA 0.101 58.231 58.200 -0.117 0.000 1.070 1596 S CB 1.150 64.301 63.200 -0.082 0.000 0.998 1596 S HN 1.135 nan 8.310 nan 0.000 0.474 1597 G N 3.986 112.816 108.800 0.051 0.000 2.615 1597 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.213 1597 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.213 1597 G C 0.858 175.762 174.900 0.007 0.000 1.135 1597 G CA 0.744 45.900 45.100 0.093 0.000 0.772 1597 G HN 0.776 nan 8.290 nan 0.000 0.542 1598 I N -1.012 119.539 120.570 -0.032 0.000 2.556 1598 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 1598 I C 2.769 178.855 176.117 -0.052 0.000 1.105 1598 I CA 0.349 61.632 61.300 -0.029 0.000 1.436 1598 I CB -0.377 37.610 38.000 -0.021 0.000 1.139 1598 I HN 0.096 nan 8.210 nan 0.000 0.438 1599 Q N 0.925 120.675 119.800 -0.082 0.000 1.998 1599 Q HA -0.284 4.056 4.340 -0.000 0.000 0.209 1599 Q C 2.286 178.239 176.000 -0.079 0.000 1.002 1599 Q CA 2.202 57.975 55.803 -0.051 0.000 0.858 1599 Q CB -0.519 28.174 28.738 -0.074 0.000 0.932 1599 Q HN 0.344 nan 8.270 nan 0.000 0.416 1600 L N 0.813 121.935 121.223 -0.170 0.000 2.034 1600 L HA -0.197 4.143 4.340 -0.000 0.000 0.217 1600 L C 2.046 178.811 176.870 -0.176 0.000 1.077 1600 L CA 2.647 57.316 54.840 -0.285 0.000 0.769 1600 L CB -1.336 40.673 42.059 -0.083 0.000 0.890 1600 L HN 0.269 nan 8.230 nan 0.000 0.435 1601 G N -1.073 107.682 108.800 -0.075 0.000 2.513 1601 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 1601 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 1601 G C 1.426 176.309 174.900 -0.029 0.000 1.160 1601 G CA 0.983 46.064 45.100 -0.032 0.000 0.767 1601 G HN 0.628 nan 8.290 nan 0.000 0.571 1602 E N -0.502 119.678 120.200 -0.032 0.000 2.153 1602 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 1602 E C 2.021 178.595 176.600 -0.044 0.000 0.988 1602 E CA 0.656 57.041 56.400 -0.024 0.000 0.811 1602 E CB -0.213 29.482 29.700 -0.008 0.000 0.746 1602 E HN 0.561 nan 8.360 nan 0.000 0.466 1603 F N 1.186 120.970 119.950 -0.276 0.000 2.075 1603 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 1603 F C 2.132 177.764 175.800 -0.279 0.000 1.113 1603 F CA 1.724 59.489 58.000 -0.391 0.000 1.218 1603 F CB -0.053 38.389 39.000 -0.930 0.000 0.984 1603 F HN -0.040 nan 8.300 nan 0.000 0.472 1604 A N -0.803 122.042 122.820 0.041 0.000 1.924 1604 A HA 0.033 4.353 4.320 -0.000 0.000 0.211 1604 A C 2.027 179.586 177.584 -0.041 0.000 1.198 1604 A CA 1.216 53.252 52.037 -0.002 0.000 0.657 1604 A CB -1.252 17.841 19.000 0.155 0.000 0.852 1604 A HN 0.368 nan 8.150 nan 0.000 0.454 1605 T N 1.460 116.002 114.554 -0.020 0.000 2.680 1605 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 1605 T C -0.346 174.339 174.700 -0.025 0.000 1.033 1605 T CA 2.288 64.377 62.100 -0.018 0.000 1.152 1605 T CB -1.160 67.700 68.868 -0.013 0.000 0.859 1605 T HN 0.404 nan 8.240 nan 0.000 0.452 1606 P HA 0.079 nan 4.420 nan 0.000 0.214 1606 P C 1.614 178.939 177.300 0.041 0.000 1.162 1606 P CA 0.737 63.855 63.100 0.031 0.000 0.874 1606 P CB -0.183 31.594 31.700 0.128 0.000 0.784 1607 I N -1.203 119.428 120.570 0.101 0.000 2.145 1607 I HA -0.300 3.870 4.170 -0.000 0.000 0.244 1607 I C 2.318 178.383 176.117 -0.087 0.000 1.075 1607 I CA 1.625 62.982 61.300 0.094 0.000 1.332 1607 I CB -0.887 37.069 38.000 -0.073 0.000 1.033 1607 I HN -0.082 nan 8.210 nan 0.000 0.410 1608 L N 0.123 121.288 121.223 -0.096 0.000 1.948 1608 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 1608 L C 2.617 179.390 176.870 -0.162 0.000 1.074 1608 L CA 1.577 56.333 54.840 -0.140 0.000 0.753 1608 L CB -0.873 41.152 42.059 -0.056 0.000 0.888 1608 L HN 0.253 nan 8.230 nan 0.000 0.432 1609 E N 0.075 120.214 120.200 -0.101 0.000 2.149 1609 E HA -0.380 3.970 4.350 -0.000 0.000 0.215 1609 E C 2.241 178.751 176.600 -0.149 0.000 1.055 1609 E CA 2.307 58.649 56.400 -0.097 0.000 0.870 1609 E CB -0.005 29.648 29.700 -0.078 0.000 0.764 1609 E HN 0.179 nan 8.360 nan 0.000 0.463 1610 R N 0.079 120.454 120.500 -0.209 0.000 2.061 1610 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 1610 R C 2.137 178.268 176.300 -0.282 0.000 1.140 1610 R CA 1.867 57.799 56.100 -0.280 0.000 0.940 1610 R CB -0.837 29.184 30.300 -0.465 0.000 0.839 1610 R HN 0.189 nan 8.270 nan 0.000 0.429 1611 A N -0.750 121.851 122.820 -0.366 0.000 2.032 1611 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 1611 A C 2.237 179.402 177.584 -0.698 0.000 1.165 1611 A CA 2.111 53.805 52.037 -0.571 0.000 0.645 1611 A CB -0.769 17.740 19.000 -0.820 0.000 0.807 1611 A HN 0.482 nan 8.150 nan 0.000 0.453 1612 S N -1.672 113.766 115.700 -0.437 0.000 2.483 1612 S HA 0.318 4.788 4.470 -0.000 0.000 0.221 1612 S C 2.016 176.624 174.600 0.014 0.000 1.030 1612 S CA 0.974 59.141 58.200 -0.055 0.000 0.925 1612 S CB -0.296 62.927 63.200 0.038 0.000 0.795 1612 S HN 0.723 nan 8.310 nan 0.000 0.511 1613 A N 2.066 124.845 122.820 -0.068 0.000 1.841 1613 A HA 0.053 4.373 4.320 -0.000 0.000 0.214 1613 A C 2.145 179.713 177.584 -0.027 0.000 1.195 1613 A CA 1.456 53.465 52.037 -0.046 0.000 0.611 1613 A CB -0.795 18.154 19.000 -0.086 0.000 0.835 1613 A HN 0.557 nan 8.150 nan 0.000 0.443 1614 M N -1.628 117.939 119.600 -0.054 0.000 2.286 1614 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 1614 M C 1.757 178.078 176.300 0.035 0.000 1.071 1614 M CA 2.240 57.526 55.300 -0.023 0.000 1.091 1614 M CB -0.352 32.222 32.600 -0.044 0.000 1.260 1614 M HN 0.482 nan 8.290 nan 0.000 0.442 1615 K N -0.908 119.546 120.400 0.089 0.000 3.186 1615 K HA -0.346 3.974 4.320 -0.000 0.000 0.302 1615 K C 0.859 177.529 176.600 0.118 0.000 1.160 1615 K CA 1.874 58.275 56.287 0.189 0.000 0.911 1615 K CB -0.645 31.987 32.500 0.219 0.000 1.228 1615 K HN 0.688 nan 8.250 nan 0.000 0.430 1616 E N -0.754 119.490 120.200 0.072 0.000 2.332 1616 E HA 0.113 4.463 4.350 -0.000 0.000 0.202 1616 E C 1.534 178.161 176.600 0.046 0.000 0.877 1616 E CA 0.634 57.065 56.400 0.051 0.000 0.979 1616 E CB -0.369 29.351 29.700 0.033 0.000 0.969 1616 E HN 0.329 nan 8.360 nan 0.000 0.495 1617 S N 0.468 116.194 115.700 0.043 0.000 2.357 1617 S HA -0.064 4.406 4.470 -0.000 0.000 0.221 1617 S C 2.224 176.858 174.600 0.057 0.000 1.031 1617 S CA 1.289 59.513 58.200 0.040 0.000 0.982 1617 S CB -0.539 62.679 63.200 0.030 0.000 0.853 1617 S HN 0.609 nan 8.310 nan 0.000 0.458 1618 L N 0.259 121.528 121.223 0.076 0.000 2.137 1618 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 1618 L C 0.810 177.737 176.870 0.095 0.000 1.085 1618 L CA 1.854 56.755 54.840 0.101 0.000 0.760 1618 L CB -1.323 40.820 42.059 0.140 0.000 0.893 1618 L HN 0.363 nan 8.230 nan 0.000 0.434 1619 N N -1.924 116.823 118.700 0.078 0.000 2.936 1619 N HA -0.202 4.538 4.740 -0.000 0.000 0.236 1619 N C 0.889 176.432 175.510 0.055 0.000 0.930 1619 N CA 0.588 53.672 53.050 0.057 0.000 0.966 1619 N CB -0.890 37.627 38.487 0.049 0.000 1.090 1619 N HN 0.202 nan 8.380 nan 0.000 0.592 1620 L N -1.051 120.215 121.223 0.071 0.000 2.425 1620 L HA -0.406 3.934 4.340 -0.000 0.000 0.222 1620 L C 2.834 179.725 176.870 0.036 0.000 1.106 1620 L CA 3.093 57.967 54.840 0.057 0.000 0.844 1620 L CB -2.380 39.694 42.059 0.026 0.000 0.907 1620 L HN 0.721 nan 8.230 nan 0.000 0.452 1621 Q N -1.145 118.670 119.800 0.023 0.000 2.013 1621 Q HA 0.069 4.409 4.340 -0.000 0.000 0.195 1621 Q C 1.599 177.608 176.000 0.013 0.000 0.974 1621 Q CA 1.347 57.158 55.803 0.013 0.000 0.826 1621 Q CB -0.662 28.080 28.738 0.007 0.000 0.895 1621 Q HN 0.509 nan 8.270 nan 0.000 0.448 1622 S N 2.159 117.866 115.700 0.013 0.000 2.790 1622 S HA 0.339 4.809 4.470 -0.000 0.000 0.202 1622 S C -2.267 172.337 174.600 0.006 0.000 1.383 1622 S CA -1.144 57.058 58.200 0.003 0.000 1.026 1622 S CB 1.128 64.326 63.200 -0.004 0.000 1.253 1622 S HN 0.559 nan 8.310 nan 0.000 0.489 1623 P HA 0.151 nan 4.420 nan 0.000 0.317 1623 P C -0.251 177.038 177.300 -0.019 0.000 1.316 1623 P CA -0.037 63.078 63.100 0.026 0.000 0.744 1623 P CB 0.205 31.933 31.700 0.045 0.000 1.521 1624 A N -2.340 120.460 122.820 -0.033 0.000 2.046 1624 A HA 0.007 4.327 4.320 -0.000 0.000 0.265 1624 A C 1.321 178.815 177.584 -0.150 0.000 1.343 1624 A CA 2.331 54.261 52.037 -0.179 0.000 0.749 1624 A CB -2.406 16.412 19.000 -0.303 0.000 1.171 1624 A HN 1.021 nan 8.150 nan 0.000 0.316 1625 K N 0.560 120.920 120.400 -0.068 0.000 3.548 1625 K HA 0.015 4.335 4.320 -0.000 0.000 0.303 1625 K C 0.950 177.520 176.600 -0.050 0.000 1.234 1625 K CA 2.909 59.162 56.287 -0.056 0.000 1.024 1625 K CB -3.108 29.338 32.500 -0.091 0.000 1.306 1625 K HN 3.069 nan 8.250 nan 0.000 0.423 1626 N N -1.889 116.778 118.700 -0.055 0.000 2.741 1626 N HA -0.067 4.673 4.740 -0.000 0.000 0.250 1626 N C 0.924 176.404 175.510 -0.050 0.000 1.115 1626 N CA 2.412 55.436 53.050 -0.042 0.000 0.724 1626 N CB -2.064 36.410 38.487 -0.021 0.000 1.090 1626 N HN 1.974 nan 8.380 nan 0.000 0.558 1627 L N -2.133 119.046 121.223 -0.073 0.000 2.024 1627 L HA 0.237 4.577 4.340 -0.000 0.000 0.137 1627 L C -0.772 176.038 176.870 -0.099 0.000 1.357 1627 L CA 0.470 55.267 54.840 -0.073 0.000 1.059 1627 L CB 0.222 42.244 42.059 -0.063 0.000 2.165 1627 L HN 0.185 nan 8.230 nan 0.000 0.478 1628 D N 3.609 123.927 120.400 -0.136 0.000 6.372 1628 D HA -0.161 4.479 4.640 -0.000 0.000 0.176 1628 D C 0.498 176.710 176.300 -0.147 0.000 1.233 1628 D CA 1.351 55.239 54.000 -0.185 0.000 0.829 1628 D CB -0.144 40.492 40.800 -0.274 0.000 1.370 1628 D HN 0.412 nan 8.370 nan 0.000 0.761 1629 K N 1.409 121.741 120.400 -0.113 0.000 2.978 1629 K HA 0.187 4.507 4.320 -0.000 0.000 0.261 1629 K C 1.330 177.882 176.600 -0.081 0.000 1.181 1629 K CA 0.327 56.566 56.287 -0.080 0.000 1.164 1629 K CB -0.650 31.815 32.500 -0.058 0.000 1.331 1629 K HN 0.328 nan 8.250 nan 0.000 0.266 1630 V N -0.219 119.635 119.914 -0.100 0.000 2.300 1630 V HA 0.055 4.175 4.120 -0.000 0.000 0.241 1630 V C 2.684 178.762 176.094 -0.027 0.000 1.034 1630 V CA 2.311 64.567 62.300 -0.074 0.000 1.021 1630 V CB -1.227 30.537 31.823 -0.098 0.000 0.662 1630 V HN 0.952 nan 8.190 nan 0.000 0.458 1631 T N -0.708 113.829 114.554 -0.030 0.000 10.649 1631 T HA -0.362 3.988 4.350 -0.000 0.000 0.405 1631 T C 0.895 175.595 174.700 0.001 0.000 1.545 1631 T CA 2.162 64.253 62.100 -0.015 0.000 2.508 1631 T CB -2.095 66.765 68.868 -0.014 0.000 2.850 1631 T HN 0.742 nan 8.240 nan 0.000 1.062 1632 T N 1.626 116.189 114.554 0.015 0.000 2.806 1632 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 1632 T C -0.005 174.717 174.700 0.036 0.000 0.966 1632 T CA 1.086 63.202 62.100 0.027 0.000 1.060 1632 T CB 0.936 69.827 68.868 0.038 0.000 0.927 1632 T HN 1.181 nan 8.240 nan 0.000 0.485 1633 E N 3.333 123.551 120.200 0.029 0.000 2.313 1633 E HA 0.506 4.856 4.350 -0.000 0.000 0.276 1633 E C 0.271 176.895 176.600 0.041 0.000 1.031 1633 E CA -0.683 55.737 56.400 0.033 0.000 0.857 1633 E CB 0.599 30.315 29.700 0.026 0.000 1.040 1633 E HN 0.787 nan 8.360 nan 0.000 0.408 1634 S N 0.413 116.141 115.700 0.047 0.000 2.592 1634 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 1634 S C 0.572 175.208 174.600 0.059 0.000 1.326 1634 S CA 0.113 58.340 58.200 0.046 0.000 1.024 1634 S CB 1.212 64.435 63.200 0.038 0.000 0.921 1634 S HN 1.055 nan 8.310 nan 0.000 0.527 1635 S N 1.397 117.135 115.700 0.063 0.000 2.429 1635 S HA 0.572 5.042 4.470 -0.000 0.000 0.302 1635 S C -0.910 173.778 174.600 0.146 0.000 1.115 1635 S CA -0.451 57.796 58.200 0.079 0.000 1.095 1635 S CB 0.219 63.446 63.200 0.045 0.000 0.987 1635 S HN 0.588 nan 8.310 nan 0.000 0.474 1636 Y N 3.144 123.440 120.300 -0.006 0.000 2.328 1636 Y HA 0.616 5.166 4.550 -0.000 0.000 0.336 1636 Y C -0.110 175.787 175.900 -0.006 0.000 0.960 1636 Y CA -1.912 56.184 58.100 -0.007 0.000 1.134 1636 Y CB 1.083 39.538 38.460 -0.008 0.000 1.166 1636 Y HN 0.741 nan 8.280 nan 0.000 0.464 1637 A N 7.349 129.953 122.820 -0.360 0.000 2.309 1637 A HA 0.452 4.772 4.320 -0.000 0.000 0.290 1637 A C -0.008 177.217 177.584 -0.599 0.000 1.206 1637 A CA -0.745 51.075 52.037 -0.361 0.000 0.850 1637 A CB -0.186 18.710 19.000 -0.175 0.000 1.118 1637 A HN 0.928 nan 8.150 nan 0.000 0.523 1638 M N 5.477 124.823 119.600 -0.423 0.000 2.408 1638 M HA 0.178 4.658 4.480 -0.000 0.000 0.363 1638 M C -2.317 173.842 176.300 -0.235 0.000 1.636 1638 M CA -0.412 54.686 55.300 -0.337 0.000 1.029 1638 M CB -0.210 32.288 32.600 -0.170 0.000 2.068 1638 M HN 0.357 nan 8.290 nan 0.000 0.466 1639 P HA 0.084 nan 4.420 nan 0.000 0.280 1639 P C -0.918 176.346 177.300 -0.059 0.000 1.278 1639 P CA -0.411 62.632 63.100 -0.095 0.000 0.787 1639 P CB 0.474 32.155 31.700 -0.032 0.000 1.163 1640 S N -0.507 115.173 115.700 -0.033 0.000 2.632 1640 S HA 0.259 4.729 4.470 -0.000 0.000 0.267 1640 S C 0.808 175.398 174.600 -0.017 0.000 1.276 1640 S CA -0.491 57.694 58.200 -0.025 0.000 0.998 1640 S CB -0.304 62.885 63.200 -0.019 0.000 0.953 1640 S HN 0.451 nan 8.310 nan 0.000 0.547 1641 I N 0.855 121.414 120.570 -0.019 0.000 4.082 1641 I HA 0.333 4.503 4.170 -0.000 0.000 0.337 1641 I C 0.641 176.746 176.117 -0.019 0.000 1.352 1641 I CA -0.244 61.045 61.300 -0.018 0.000 1.097 1641 I CB -0.585 37.400 38.000 -0.026 0.000 1.048 1641 I HN 0.673 nan 8.210 nan 0.000 0.393 1642 K N 1.401 121.791 120.400 -0.017 0.000 2.339 1642 K HA 0.179 4.499 4.320 -0.000 0.000 0.286 1642 K C 0.483 177.077 176.600 -0.011 0.000 1.050 1642 K CA 0.360 56.638 56.287 -0.016 0.000 0.956 1642 K CB -0.283 32.208 32.500 -0.015 0.000 0.990 1642 K HN 0.512 nan 8.250 nan 0.000 0.475 1643 D N -0.490 119.903 120.400 -0.011 0.000 2.870 1643 D HA -0.168 4.472 4.640 -0.000 0.000 0.228 1643 D C -0.024 176.275 176.300 -0.002 0.000 1.147 1643 D CA 1.387 55.383 54.000 -0.007 0.000 0.757 1643 D CB -1.223 39.574 40.800 -0.005 0.000 1.091 1643 D HN 0.735 nan 8.370 nan 0.000 0.429 1644 I N -0.336 120.233 120.570 -0.002 0.000 2.802 1644 I HA 0.252 4.422 4.170 -0.000 0.000 0.298 1644 I C -0.247 175.873 176.117 0.006 0.000 1.176 1644 I CA -0.552 60.751 61.300 0.005 0.000 1.025 1644 I CB 1.989 39.995 38.000 0.010 0.000 1.243 1644 I HN -0.033 nan 8.210 nan 0.000 0.424 1645 S N 5.034 120.742 115.700 0.012 0.000 2.601 1645 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 1645 S C -2.145 172.469 174.600 0.024 0.000 1.305 1645 S CA -0.994 57.216 58.200 0.016 0.000 1.022 1645 S CB 1.068 64.280 63.200 0.019 0.000 0.940 1645 S HN 0.540 nan 8.310 nan 0.000 0.525 1646 P HA 0.027 nan 4.420 nan 0.000 0.221 1646 P C 1.531 178.860 177.300 0.049 0.000 1.145 1646 P CA 1.239 64.360 63.100 0.035 0.000 0.795 1646 P CB -0.304 31.419 31.700 0.038 0.000 0.775 1647 G N -0.424 108.406 108.800 0.050 0.000 2.394 1647 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 1647 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 1647 G C 1.745 176.684 174.900 0.065 0.000 1.165 1647 G CA 1.134 46.272 45.100 0.063 0.000 0.784 1647 G HN 0.339 nan 8.290 nan 0.000 0.535 1648 E N 1.013 121.244 120.200 0.053 0.000 2.046 1648 E HA 0.114 4.464 4.350 -0.000 0.000 0.190 1648 E C 2.308 178.941 176.600 0.055 0.000 0.982 1648 E CA 0.933 57.364 56.400 0.052 0.000 0.800 1648 E CB -0.585 29.139 29.700 0.040 0.000 0.756 1648 E HN 0.297 nan 8.360 nan 0.000 0.449 1649 L N 0.156 121.408 121.223 0.049 0.000 2.083 1649 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 1649 L C 2.746 179.655 176.870 0.065 0.000 1.083 1649 L CA 2.196 57.068 54.840 0.053 0.000 0.752 1649 L CB -1.142 40.940 42.059 0.038 0.000 0.899 1649 L HN 0.415 nan 8.230 nan 0.000 0.433 1650 A N 0.023 122.882 122.820 0.065 0.000 1.865 1650 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 1650 A C 2.066 179.699 177.584 0.082 0.000 1.191 1650 A CA 1.788 53.869 52.037 0.074 0.000 0.623 1650 A CB -0.646 18.401 19.000 0.079 0.000 0.826 1650 A HN 0.552 nan 8.150 nan 0.000 0.444 1651 E N -0.571 119.678 120.200 0.083 0.000 2.026 1651 E HA -0.215 4.135 4.350 -0.000 0.000 0.206 1651 E C 2.380 179.017 176.600 0.061 0.000 1.028 1651 E CA 1.215 57.662 56.400 0.078 0.000 0.845 1651 E CB -0.412 29.331 29.700 0.072 0.000 0.772 1651 E HN 0.569 nan 8.360 nan 0.000 0.462 1652 A N 1.101 123.958 122.820 0.062 0.000 1.906 1652 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 1652 A C 2.238 179.868 177.584 0.077 0.000 1.282 1652 A CA 2.181 54.258 52.037 0.066 0.000 0.675 1652 A CB -1.237 17.818 19.000 0.092 0.000 0.838 1652 A HN 0.253 nan 8.150 nan 0.000 0.469 1653 L N -1.354 119.942 121.223 0.122 0.000 1.971 1653 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 1653 L C 2.748 179.651 176.870 0.056 0.000 1.072 1653 L CA 1.949 56.888 54.840 0.165 0.000 0.758 1653 L CB -0.498 41.651 42.059 0.152 0.000 0.889 1653 L HN 0.371 nan 8.230 nan 0.000 0.433 1654 R N -0.377 120.150 120.500 0.044 0.000 2.371 1654 R HA -0.156 4.184 4.340 -0.000 0.000 0.226 1654 R C 2.215 178.472 176.300 -0.072 0.000 1.132 1654 R CA 0.803 56.910 56.100 0.013 0.000 1.027 1654 R CB -0.285 30.054 30.300 0.065 0.000 0.848 1654 R HN 0.454 nan 8.270 nan 0.000 0.479 1655 R N -0.110 120.334 120.500 -0.093 0.000 2.090 1655 R HA 0.072 4.412 4.340 -0.000 0.000 0.219 1655 R C 1.065 177.217 176.300 -0.246 0.000 1.100 1655 R CA 0.571 56.570 56.100 -0.169 0.000 0.991 1655 R CB 0.105 30.336 30.300 -0.114 0.000 0.893 1655 R HN 0.252 nan 8.270 nan 0.000 0.443 1656 N N 1.390 119.892 118.700 -0.330 0.000 2.346 1656 N HA 0.125 4.865 4.740 -0.000 0.000 0.225 1656 N C -0.470 174.835 175.510 -0.341 0.000 1.144 1656 N CA 0.137 52.851 53.050 -0.561 0.000 0.837 1656 N CB 0.535 38.104 38.487 -1.530 0.000 1.069 1656 N HN 0.147 nan 8.380 nan 0.000 0.487 1657 I N 0.493 120.956 120.570 -0.180 0.000 7.505 1657 I HA -0.293 3.877 4.170 -0.000 0.000 0.126 1657 I C -1.026 175.088 176.117 -0.005 0.000 1.838 1657 I CA 0.142 61.393 61.300 -0.082 0.000 2.047 1657 I CB -1.252 36.703 38.000 -0.074 0.000 3.658 1657 I HN -0.152 nan 8.210 nan 0.000 0.172 1658 V N 4.648 124.577 119.914 0.024 0.000 3.258 1658 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 1658 V C -0.686 175.436 176.094 0.047 0.000 1.376 1658 V CA -0.877 61.459 62.300 0.062 0.000 1.063 1658 V CB 2.402 34.301 31.823 0.127 0.000 1.103 1658 V HN 0.473 nan 8.190 nan 0.000 0.451 1659 Q N 2.949 122.772 119.800 0.039 0.000 2.401 1659 Q HA 0.402 4.742 4.340 -0.000 0.000 0.260 1659 Q C -2.786 173.229 176.000 0.024 0.000 1.034 1659 Q CA -1.601 54.223 55.803 0.035 0.000 0.737 1659 Q CB 2.558 31.310 28.738 0.023 0.000 1.227 1659 Q HN 0.451 nan 8.270 nan 0.000 0.488 1660 P HA 0.329 nan 4.420 nan 0.000 0.286 1660 P C -0.434 176.880 177.300 0.024 0.000 1.261 1660 P CA -0.426 62.692 63.100 0.030 0.000 0.821 1660 P CB 1.471 33.203 31.700 0.054 0.000 1.013 1661 I N 2.067 122.632 120.570 -0.008 0.000 2.905 1661 I HA 0.116 4.286 4.170 -0.000 0.000 0.297 1661 I C 0.210 176.355 176.117 0.046 0.000 1.358 1661 I CA -0.954 60.344 61.300 -0.003 0.000 0.975 1661 I CB 1.054 38.955 38.000 -0.165 0.000 1.857 1661 I HN -0.012 nan 8.210 nan 0.000 0.612 1662 V N 3.603 123.565 119.914 0.081 0.000 2.832 1662 V HA -0.119 4.001 4.120 -0.000 0.000 0.299 1662 V C 0.417 176.603 176.094 0.153 0.000 1.201 1662 V CA 0.506 62.867 62.300 0.103 0.000 1.325 1662 V CB 0.774 32.654 31.823 0.095 0.000 0.871 1662 V HN 0.303 nan 8.190 nan 0.000 0.509 1663 V N 5.087 125.111 119.914 0.183 0.000 2.443 1663 V HA 0.863 4.983 4.120 -0.000 0.000 0.293 1663 V C 0.482 176.710 176.094 0.224 0.000 1.021 1663 V CA 0.760 63.228 62.300 0.279 0.000 0.848 1663 V CB 0.896 32.987 31.823 0.447 0.000 0.998 1663 V HN 1.503 nan 8.190 nan 0.000 0.424 1664 G N 4.419 113.336 108.800 0.196 0.000 2.526 1664 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.250 1664 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.250 1664 G C 0.325 175.281 174.900 0.094 0.000 1.289 1664 G CA 0.388 45.571 45.100 0.137 0.000 0.947 1664 G HN 1.442 nan 8.290 nan 0.000 0.517 1665 T N -1.880 112.714 114.554 0.066 0.000 3.087 1665 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 1665 T C 1.381 176.103 174.700 0.037 0.000 0.956 1665 T CA 1.244 63.375 62.100 0.051 0.000 0.894 1665 T CB 0.128 69.022 68.868 0.043 0.000 1.160 1665 T HN 2.188 nan 8.240 nan 0.000 0.532 1666 G N 1.375 110.194 108.800 0.030 0.000 2.720 1666 G HA2 0.314 4.274 3.960 -0.000 0.000 0.237 1666 G HA3 0.314 4.274 3.960 -0.000 0.000 0.237 1666 G C 1.013 175.922 174.900 0.015 0.000 1.239 1666 G CA 0.490 45.599 45.100 0.015 0.000 0.847 1666 G HN 0.495 nan 8.290 nan 0.000 0.593 1667 T N -2.482 112.076 114.554 0.007 0.000 3.022 1667 T HA 0.255 4.605 4.350 -0.000 0.000 0.250 1667 T C 0.760 175.461 174.700 0.001 0.000 1.060 1667 T CA 0.251 62.356 62.100 0.008 0.000 1.013 1667 T CB 0.099 68.971 68.868 0.006 0.000 0.982 1667 T HN 0.366 nan 8.240 nan 0.000 0.508 1668 K N 1.229 121.624 120.400 -0.008 0.000 2.221 1668 K HA 0.573 4.893 4.320 -0.000 0.000 0.258 1668 K C -0.833 175.751 176.600 -0.028 0.000 0.944 1668 K CA -0.777 55.499 56.287 -0.018 0.000 0.823 1668 K CB 2.113 34.598 32.500 -0.025 0.000 1.113 1668 K HN 0.257 nan 8.250 nan 0.000 0.431 1669 I N 3.650 124.201 120.570 -0.031 0.000 2.301 1669 I HA 0.055 4.225 4.170 -0.000 0.000 0.292 1669 I C 1.440 177.509 176.117 -0.080 0.000 1.046 1669 I CA -0.128 61.145 61.300 -0.045 0.000 1.282 1669 I CB 0.880 38.863 38.000 -0.028 0.000 1.409 1669 I HN 0.674 nan 8.210 nan 0.000 0.484 1670 K N 5.353 125.679 120.400 -0.124 0.000 2.076 1670 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 1670 K C 0.433 176.892 176.600 -0.236 0.000 1.051 1670 K CA 1.168 57.349 56.287 -0.177 0.000 0.949 1670 K CB 0.490 32.859 32.500 -0.218 0.000 0.726 1670 K HN 0.674 nan 8.250 nan 0.000 0.443 1671 E N -0.014 119.998 120.200 -0.313 0.000 2.363 1671 E HA 0.165 4.515 4.350 -0.000 0.000 0.281 1671 E C -1.600 174.893 176.600 -0.178 0.000 0.953 1671 E CA -0.546 55.657 56.400 -0.328 0.000 0.778 1671 E CB 2.033 31.356 29.700 -0.629 0.000 1.220 1671 E HN 0.032 nan 8.360 nan 0.000 0.431 1672 T N 1.007 115.560 114.554 -0.002 0.000 2.902 1672 T HA 0.139 4.489 4.350 -0.000 0.000 0.280 1672 T C 0.800 175.667 174.700 0.277 0.000 0.992 1672 T CA -0.475 61.691 62.100 0.111 0.000 1.015 1672 T CB 1.524 70.424 68.868 0.053 0.000 1.044 1672 T HN 0.383 nan 8.240 nan 0.000 0.520 1673 S N -0.107 115.726 115.700 0.222 0.000 2.517 1673 S HA 0.242 4.712 4.470 -0.000 0.000 0.214 1673 S C 0.208 174.851 174.600 0.071 0.000 0.991 1673 S CA -0.228 58.067 58.200 0.157 0.000 0.906 1673 S CB 0.072 63.300 63.200 0.046 0.000 0.789 1673 S HN 0.451 nan 8.310 nan 0.000 0.513 1674 V N 2.256 122.204 119.914 0.056 0.000 2.656 1674 V HA 0.503 4.623 4.120 -0.000 0.000 0.307 1674 V C -1.133 174.968 176.094 0.012 0.000 1.051 1674 V CA -1.029 61.282 62.300 0.018 0.000 0.893 1674 V CB 1.939 33.757 31.823 -0.008 0.000 0.999 1674 V HN 0.164 nan 8.190 nan 0.000 0.426 1675 E N 2.317 122.518 120.200 0.001 0.000 2.299 1675 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 1675 E C 0.235 176.818 176.600 -0.028 0.000 1.043 1675 E CA -0.028 56.368 56.400 -0.006 0.000 0.895 1675 E CB 0.384 30.081 29.700 -0.005 0.000 1.011 1675 E HN 0.642 nan 8.360 nan 0.000 0.432 1676 E N 2.098 122.281 120.200 -0.028 0.000 2.924 1676 E HA -0.063 4.287 4.350 -0.000 0.000 0.236 1676 E C 0.692 177.262 176.600 -0.049 0.000 1.028 1676 E CA 0.982 57.355 56.400 -0.044 0.000 0.952 1676 E CB -0.347 29.333 29.700 -0.034 0.000 0.918 1676 E HN 0.750 nan 8.360 nan 0.000 0.536 1677 G N 3.499 112.256 108.800 -0.072 0.000 2.799 1677 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.200 1677 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.200 1677 G C 0.386 175.244 174.900 -0.070 0.000 1.206 1677 G CA -0.074 44.986 45.100 -0.067 0.000 0.827 1677 G HN 0.584 nan 8.290 nan 0.000 0.511 1678 T N 1.912 116.432 114.554 -0.057 0.000 2.946 1678 T HA 0.360 4.710 4.350 -0.000 0.000 0.311 1678 T C 0.520 175.178 174.700 -0.070 0.000 1.063 1678 T CA 0.719 62.789 62.100 -0.050 0.000 1.139 1678 T CB 0.844 69.692 68.868 -0.034 0.000 0.994 1678 T HN 0.646 nan 8.240 nan 0.000 0.547 1679 N N 1.686 120.354 118.700 -0.053 0.000 2.492 1679 N HA 0.164 4.904 4.740 -0.000 0.000 0.260 1679 N C -1.103 174.383 175.510 -0.039 0.000 1.215 1679 N CA -0.218 52.801 53.050 -0.052 0.000 0.923 1679 N CB 0.241 38.717 38.487 -0.019 0.000 1.092 1679 N HN 0.292 nan 8.380 nan 0.000 0.448 1680 L N 2.551 123.756 121.223 -0.030 0.000 2.296 1680 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 1680 L C -0.063 176.839 176.870 0.052 0.000 1.023 1680 L CA -0.542 54.304 54.840 0.011 0.000 0.812 1680 L CB 1.115 43.191 42.059 0.028 0.000 1.223 1680 L HN 0.739 nan 8.230 nan 0.000 0.421 1681 A N 5.881 128.720 122.820 0.033 0.000 2.401 1681 A HA 0.600 4.920 4.320 -0.000 0.000 0.259 1681 A C -2.290 175.318 177.584 0.041 0.000 1.103 1681 A CA -1.265 50.792 52.037 0.032 0.000 0.789 1681 A CB -0.430 18.578 19.000 0.013 0.000 1.035 1681 A HN 0.560 nan 8.150 nan 0.000 0.491 1682 P HA -0.043 nan 4.420 nan 0.000 0.257 1682 P C 0.117 177.429 177.300 0.021 0.000 1.162 1682 P CA 0.944 64.063 63.100 0.032 0.000 0.762 1682 P CB 0.156 31.868 31.700 0.019 0.000 0.753 1683 N N -0.590 118.124 118.700 0.023 0.000 2.972 1683 N HA -0.194 4.546 4.740 -0.000 0.000 0.225 1683 N C 0.518 176.036 175.510 0.013 0.000 0.883 1683 N CA 0.872 53.932 53.050 0.017 0.000 1.010 1683 N CB -1.317 37.176 38.487 0.010 0.000 1.052 1683 N HN 0.603 nan 8.380 nan 0.000 0.598 1684 Q N 1.149 120.958 119.800 0.015 0.000 2.498 1684 Q HA -0.068 4.272 4.340 -0.000 0.000 0.299 1684 Q C -0.298 175.697 176.000 -0.008 0.000 1.178 1684 Q CA 0.906 56.710 55.803 0.001 0.000 0.997 1684 Q CB 0.408 29.149 28.738 0.006 0.000 1.306 1684 Q HN 0.259 nan 8.270 nan 0.000 0.468 1685 Q N 0.883 120.663 119.800 -0.033 0.000 2.282 1685 Q HA 0.561 4.901 4.340 -0.000 0.000 0.260 1685 Q C -1.435 174.527 176.000 -0.063 0.000 0.964 1685 Q CA -0.733 55.033 55.803 -0.061 0.000 0.880 1685 Q CB 2.299 30.972 28.738 -0.110 0.000 1.286 1685 Q HN 0.414 nan 8.270 nan 0.000 0.445 1686 V N 3.306 123.186 119.914 -0.057 0.000 2.623 1686 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 1686 V C -0.616 175.456 176.094 -0.038 0.000 1.054 1686 V CA -0.673 61.607 62.300 -0.034 0.000 0.882 1686 V CB 2.020 33.843 31.823 -0.001 0.000 1.002 1686 V HN 0.681 nan 8.190 nan 0.000 0.424 1687 L N 5.577 126.792 121.223 -0.013 0.000 2.276 1687 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 1687 L C -0.751 176.211 176.870 0.154 0.000 1.061 1687 L CA -0.429 54.435 54.840 0.040 0.000 0.807 1687 L CB 1.109 43.198 42.059 0.050 0.000 1.177 1687 L HN 0.501 nan 8.230 nan 0.000 0.429 1688 L N 6.248 127.540 121.223 0.115 0.000 2.277 1688 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 1688 L C -0.229 176.707 176.870 0.109 0.000 1.028 1688 L CA -0.314 54.578 54.840 0.087 0.000 0.835 1688 L CB 1.372 43.467 42.059 0.060 0.000 1.215 1688 L HN 0.513 nan 8.230 nan 0.000 0.425 1689 L N 4.143 125.381 121.223 0.024 0.000 2.283 1689 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 1689 L C 0.807 177.638 176.870 -0.065 0.000 1.073 1689 L CA -0.122 54.697 54.840 -0.036 0.000 0.822 1689 L CB 1.178 42.940 42.059 -0.496 0.000 1.186 1689 L HN 0.785 nan 8.230 nan 0.000 0.436 1690 S N 2.277 117.986 115.700 0.015 0.000 2.614 1690 S HA 0.081 4.551 4.470 -0.000 0.000 0.265 1690 S C 0.664 175.245 174.600 -0.032 0.000 1.303 1690 S CA -0.504 57.696 58.200 0.000 0.000 1.000 1690 S CB 1.054 64.278 63.200 0.040 0.000 0.935 1690 S HN 0.734 nan 8.310 nan 0.000 0.551 1691 D N -0.468 119.911 120.400 -0.034 0.000 2.346 1691 D HA 0.062 4.702 4.640 -0.000 0.000 0.248 1691 D C 0.086 176.371 176.300 -0.024 0.000 1.173 1691 D CA 0.089 54.062 54.000 -0.044 0.000 0.878 1691 D CB -0.376 40.399 40.800 -0.042 0.000 0.919 1691 D HN 0.650 nan 8.370 nan 0.000 0.513 1692 K N 0.556 120.953 120.400 -0.004 0.000 2.800 1692 K HA 0.144 4.464 4.320 -0.000 0.000 0.275 1692 K C -1.666 174.953 176.600 0.032 0.000 1.294 1692 K CA -0.395 55.897 56.287 0.009 0.000 1.014 1692 K CB 1.097 33.603 32.500 0.010 0.000 1.380 1692 K HN -0.184 nan 8.250 nan 0.000 0.543 1693 V N 4.503 124.440 119.914 0.038 0.000 2.276 1693 V HA 0.087 4.207 4.120 -0.000 0.000 0.249 1693 V C 1.115 177.249 176.094 0.066 0.000 1.160 1693 V CA -0.110 62.236 62.300 0.077 0.000 1.042 1693 V CB 0.745 32.622 31.823 0.090 0.000 1.224 1693 V HN 0.664 nan 8.190 nan 0.000 0.496 1694 E N 2.726 122.961 120.200 0.059 0.000 2.208 1694 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 1694 E C 0.428 177.056 176.600 0.047 0.000 0.988 1694 E CA 0.738 57.164 56.400 0.043 0.000 0.828 1694 E CB 0.578 30.298 29.700 0.032 0.000 0.763 1694 E HN 0.797 nan 8.360 nan 0.000 0.478 1695 E N -0.217 120.022 120.200 0.065 0.000 2.412 1695 E HA 0.292 4.642 4.350 -0.000 0.000 0.279 1695 E C -0.508 176.143 176.600 0.085 0.000 0.984 1695 E CA -0.767 55.666 56.400 0.054 0.000 0.788 1695 E CB 1.711 31.423 29.700 0.019 0.000 1.277 1695 E HN -0.150 nan 8.360 nan 0.000 0.455 1696 I N 2.733 123.337 120.570 0.056 0.000 2.813 1696 I HA 0.097 4.267 4.170 -0.000 0.000 0.287 1696 I C -1.817 174.276 176.117 -0.041 0.000 1.196 1696 I CA -1.303 60.021 61.300 0.039 0.000 1.421 1696 I CB -0.776 37.206 38.000 -0.029 0.000 1.365 1696 I HN 0.387 nan 8.210 nan 0.000 0.591 1697 P HA 0.222 nan 4.420 nan 0.000 0.292 1697 P C -0.909 176.217 177.300 -0.289 0.000 1.304 1697 P CA -0.640 62.376 63.100 -0.139 0.000 0.848 1697 P CB 1.396 33.077 31.700 -0.032 0.000 1.260 1698 D N 0.404 120.667 120.400 -0.227 0.000 2.389 1698 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 1698 D C 0.594 176.612 176.300 -0.470 0.000 1.128 1698 D CA 0.252 54.092 54.000 -0.267 0.000 0.884 1698 D CB 0.607 41.316 40.800 -0.153 0.000 1.194 1698 D HN 0.208 nan 8.370 nan 0.000 0.441 1699 M N 3.048 122.298 119.600 -0.584 0.000 2.306 1699 M HA 0.026 4.506 4.480 -0.000 0.000 0.292 1699 M C 0.073 176.100 176.300 -0.455 0.000 1.018 1699 M CA -0.522 54.153 55.300 -1.042 0.000 1.007 1699 M CB 0.487 32.433 32.600 -1.091 0.000 1.510 1699 M HN 0.403 nan 8.290 nan 0.000 0.537 1700 Y N 1.524 121.651 120.300 -0.289 0.000 2.721 1700 Y HA 0.142 4.692 4.550 -0.000 0.000 0.329 1700 Y C 1.207 177.112 175.900 0.009 0.000 1.211 1700 Y CA 1.553 59.584 58.100 -0.116 0.000 1.512 1700 Y CB 0.390 38.795 38.460 -0.090 0.000 1.249 1700 Y HN 0.505 nan 8.280 nan 0.000 0.549 1701 G N 3.491 112.153 108.800 -0.231 0.000 2.792 1701 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.201 1701 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.201 1701 G C -0.535 174.444 174.900 0.132 0.000 1.322 1701 G CA -0.338 44.715 45.100 -0.077 0.000 0.910 1701 G HN 0.628 nan 8.290 nan 0.000 0.535 1702 W N 3.515 124.760 121.300 -0.091 0.000 2.580 1702 W HA 0.409 5.069 4.660 -0.000 0.000 0.337 1702 W C 1.136 177.625 176.519 -0.050 0.000 1.088 1702 W CA 0.681 57.990 57.345 -0.060 0.000 1.189 1702 W CB -0.649 28.776 29.460 -0.057 0.000 1.131 1702 W HN 0.857 nan 8.180 nan 0.000 0.563 1703 K N 3.674 124.141 120.400 0.112 0.000 2.159 1703 K HA 0.008 4.328 4.320 -0.000 0.000 0.242 1703 K C 1.343 177.993 176.600 0.083 0.000 1.043 1703 K CA 1.018 57.332 56.287 0.044 0.000 0.856 1703 K CB 0.173 32.663 32.500 -0.016 0.000 1.072 1703 K HN 0.645 nan 8.250 nan 0.000 0.514 1704 K N -0.303 120.106 120.400 0.014 0.000 1.980 1704 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 1704 K C 2.221 178.840 176.600 0.031 0.000 1.043 1704 K CA 1.601 57.888 56.287 0.000 0.000 0.938 1704 K CB -0.156 32.216 32.500 -0.214 0.000 0.724 1704 K HN 0.772 nan 8.250 nan 0.000 0.438 1705 E N -0.173 120.007 120.200 -0.033 0.000 2.169 1705 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 1705 E C 1.431 178.015 176.600 -0.027 0.000 1.016 1705 E CA 2.044 58.422 56.400 -0.035 0.000 0.817 1705 E CB -0.021 29.643 29.700 -0.059 0.000 0.736 1705 E HN 0.378 nan 8.360 nan 0.000 0.462 1706 T N 0.679 115.215 114.554 -0.030 0.000 2.588 1706 T HA -0.178 4.172 4.350 -0.000 0.000 0.261 1706 T C 1.937 176.679 174.700 0.071 0.000 1.069 1706 T CA 1.749 63.790 62.100 -0.098 0.000 1.172 1706 T CB -0.701 68.039 68.868 -0.213 0.000 0.863 1706 T HN 0.416 nan 8.240 nan 0.000 0.408 1707 A N 1.842 124.858 122.820 0.327 0.000 1.929 1707 A HA -0.329 3.991 4.320 -0.000 0.000 0.221 1707 A C 2.190 180.008 177.584 0.391 0.000 1.211 1707 A CA 2.448 54.808 52.037 0.537 0.000 0.657 1707 A CB -0.877 18.396 19.000 0.455 0.000 0.827 1707 A HN 0.703 nan 8.150 nan 0.000 0.462 1708 E N -1.468 118.883 120.200 0.253 0.000 2.015 1708 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 1708 E C 2.133 178.725 176.600 -0.013 0.000 0.991 1708 E CA 1.453 57.943 56.400 0.150 0.000 0.802 1708 E CB -0.572 29.193 29.700 0.109 0.000 0.759 1708 E HN 0.582 nan 8.360 nan 0.000 0.447 1709 T N 1.336 115.809 114.554 -0.135 0.000 2.714 1709 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 1709 T C 1.433 175.732 174.700 -0.668 0.000 1.036 1709 T CA 1.499 63.336 62.100 -0.439 0.000 1.148 1709 T CB -0.398 68.210 68.868 -0.432 0.000 0.856 1709 T HN 0.166 nan 8.240 nan 0.000 0.462 1710 F N 1.932 121.663 119.950 -0.365 0.000 2.039 1710 F HA 0.086 4.613 4.527 -0.000 0.000 0.294 1710 F C 2.488 178.256 175.800 -0.054 0.000 1.130 1710 F CA 1.053 58.980 58.000 -0.122 0.000 1.189 1710 F CB -0.987 38.200 39.000 0.313 0.000 0.983 1710 F HN 0.140 nan 8.300 nan 0.000 0.471 1711 A N 0.734 123.672 122.820 0.198 0.000 1.894 1711 A HA -0.387 3.933 4.320 -0.000 0.000 0.220 1711 A C 2.329 179.866 177.584 -0.078 0.000 1.237 1711 A CA 2.547 54.630 52.037 0.077 0.000 0.660 1711 A CB -1.341 17.730 19.000 0.118 0.000 0.835 1711 A HN 0.532 nan 8.150 nan 0.000 0.461 1712 K N -1.494 118.815 120.400 -0.152 0.000 2.049 1712 K HA -0.261 4.059 4.320 -0.000 0.000 0.219 1712 K C 1.918 178.487 176.600 -0.053 0.000 1.056 1712 K CA 2.271 58.460 56.287 -0.163 0.000 0.946 1712 K CB -0.326 31.977 32.500 -0.327 0.000 0.723 1712 K HN 0.726 nan 8.250 nan 0.000 0.453 1713 W N 0.623 121.854 121.300 -0.114 0.000 2.381 1713 W HA -0.107 4.553 4.660 0.000 0.000 0.323 1713 W C 1.921 178.329 176.519 -0.184 0.000 1.194 1713 W CA 0.548 57.802 57.345 -0.151 0.000 1.296 1713 W CB -1.219 28.134 29.460 -0.179 0.000 1.175 1713 W HN 0.063 nan 8.180 nan 0.000 0.465 1714 L N 1.357 122.548 121.223 -0.053 0.000 2.784 1714 L HA -0.126 4.214 4.340 -0.000 0.000 0.247 1714 L C 0.347 177.186 176.870 -0.052 0.000 1.162 1714 L CA 1.043 55.815 54.840 -0.114 0.000 0.881 1714 L CB -1.253 40.639 42.059 -0.279 0.000 1.032 1714 L HN 0.111 nan 8.230 nan 0.000 0.446 1715 D N 0.155 120.544 120.400 -0.019 0.000 2.911 1715 D HA -0.216 4.424 4.640 -0.000 0.000 0.227 1715 D C -0.002 176.298 176.300 -0.000 0.000 1.164 1715 D CA 0.746 54.745 54.000 -0.001 0.000 0.782 1715 D CB -0.744 40.059 40.800 0.005 0.000 1.094 1715 D HN 0.310 nan 8.370 nan 0.000 0.425 1716 I N 0.655 121.225 120.570 0.000 0.000 2.428 1716 I HA 0.250 4.420 4.170 -0.000 0.000 0.296 1716 I C 0.972 177.102 176.117 0.021 0.000 0.985 1716 I CA -0.721 60.593 61.300 0.024 0.000 1.260 1716 I CB 1.325 39.367 38.000 0.069 0.000 1.389 1716 I HN -0.066 nan 8.210 nan 0.000 0.484 1717 E N 5.614 125.817 120.200 0.006 0.000 2.283 1717 E HA 0.622 4.972 4.350 -0.000 0.000 0.271 1717 E C -0.965 175.610 176.600 -0.042 0.000 1.031 1717 E CA -0.646 55.748 56.400 -0.010 0.000 0.868 1717 E CB 2.038 31.730 29.700 -0.015 0.000 1.094 1717 E HN 0.383 nan 8.360 nan 0.000 0.401 1718 L N 1.043 122.218 121.223 -0.080 0.000 2.283 1718 L HA 0.535 4.875 4.340 -0.000 0.000 0.259 1718 L C -0.493 176.214 176.870 -0.272 0.000 1.027 1718 L CA -0.751 53.959 54.840 -0.216 0.000 0.828 1718 L CB 2.201 44.066 42.059 -0.324 0.000 1.380 1718 L HN 0.597 nan 8.230 nan 0.000 0.425 1719 E N 0.510 120.445 120.200 -0.442 0.000 2.304 1719 E HA 0.407 4.757 4.350 -0.000 0.000 0.277 1719 E C -1.948 174.369 176.600 -0.471 0.000 0.898 1719 E CA -0.549 55.662 56.400 -0.314 0.000 0.764 1719 E CB 1.769 31.380 29.700 -0.148 0.000 1.216 1719 E HN 0.280 nan 8.360 nan 0.000 0.419 1720 F N 2.063 122.016 119.950 0.004 0.000 2.361 1720 F HA 0.395 4.922 4.527 -0.000 0.000 0.364 1720 F C 0.854 176.654 175.800 0.001 0.000 1.117 1720 F CA -0.235 57.767 58.000 0.003 0.000 1.071 1720 F CB 1.372 40.375 39.000 0.006 0.000 1.188 1720 F HN 0.509 nan 8.300 nan 0.000 0.464 1721 E N 2.120 122.408 120.200 0.148 0.000 2.283 1721 E HA 0.664 5.014 4.350 -0.000 0.000 0.271 1721 E C 0.718 177.378 176.600 0.100 0.000 1.031 1721 E CA -0.453 56.002 56.400 0.091 0.000 0.868 1721 E CB 0.768 30.494 29.700 0.043 0.000 1.094 1721 E HN 1.221 nan 8.360 nan 0.000 0.401 1722 G N 0.526 109.366 108.800 0.067 0.000 2.682 1722 G HA2 0.014 3.974 3.960 -0.000 0.000 0.256 1722 G HA3 0.014 3.974 3.960 -0.000 0.000 0.256 1722 G C 0.727 175.657 174.900 0.050 0.000 1.333 1722 G CA 0.707 45.838 45.100 0.052 0.000 0.904 1722 G HN 1.969 nan 8.290 nan 0.000 0.569 1723 S N -1.162 114.556 115.700 0.030 0.000 2.786 1723 S HA 1.038 5.508 4.470 -0.000 0.000 0.307 1723 S C 0.566 175.169 174.600 0.006 0.000 1.121 1723 S CA 0.414 58.619 58.200 0.009 0.000 0.975 1723 S CB 1.758 64.959 63.200 0.000 0.000 1.220 1723 S HN 2.968 nan 8.310 nan 0.000 0.550 1724 G N -0.300 108.490 108.800 -0.017 0.000 2.355 1724 G HA2 0.230 4.190 3.960 -0.000 0.000 0.619 1724 G HA3 0.230 4.190 3.960 -0.000 0.000 0.619 1724 G C 0.033 174.906 174.900 -0.044 0.000 1.337 1724 G CA -0.041 45.048 45.100 -0.019 0.000 0.993 1724 G HN 1.618 nan 8.290 nan 0.000 0.599 1725 S N -1.824 113.853 115.700 -0.038 0.000 2.523 1725 S HA 0.688 5.158 4.470 -0.000 0.000 0.217 1725 S C 0.966 175.544 174.600 -0.035 0.000 0.996 1725 S CA 1.476 59.647 58.200 -0.049 0.000 0.921 1725 S CB 0.272 63.447 63.200 -0.042 0.000 0.829 1725 S HN 2.374 nan 8.310 nan 0.000 0.495 1726 V N 0.707 120.610 119.914 -0.019 0.000 3.181 1726 V HA 0.781 4.901 4.120 -0.000 0.000 0.308 1726 V C 0.183 176.295 176.094 0.030 0.000 1.214 1726 V CA -1.405 60.895 62.300 0.000 0.000 1.053 1726 V CB 1.576 33.368 31.823 -0.051 0.000 1.069 1726 V HN 0.060 nan 8.190 nan 0.000 0.441 1727 V N 1.317 121.265 119.914 0.057 0.000 3.503 1727 V HA 0.344 4.464 4.120 -0.000 0.000 0.300 1727 V C 0.807 176.943 176.094 0.070 0.000 1.099 1727 V CA 0.490 62.838 62.300 0.080 0.000 1.117 1727 V CB 1.121 32.971 31.823 0.046 0.000 1.122 1727 V HN 1.054 nan 8.190 nan 0.000 0.476 1728 Q N -0.376 119.534 119.800 0.182 0.000 1.518 1728 Q HA 0.214 4.554 4.340 -0.000 0.000 0.149 1728 Q C -0.271 175.858 176.000 0.215 0.000 0.714 1728 Q CA -0.037 55.997 55.803 0.385 0.000 0.699 1728 Q CB 0.873 29.761 28.738 0.250 0.000 1.172 1728 Q HN 0.776 nan 8.270 nan 0.000 0.352 1729 K N 0.982 121.439 120.400 0.095 0.000 2.587 1729 K HA 0.324 4.644 4.320 -0.000 0.000 0.276 1729 K C -1.985 174.588 176.600 -0.046 0.000 0.956 1729 K CA -0.258 56.027 56.287 -0.003 0.000 0.857 1729 K CB 1.906 34.406 32.500 -0.000 0.000 1.431 1729 K HN 0.038 nan 8.250 nan 0.000 0.420 1730 Q N 1.912 121.659 119.800 -0.087 0.000 2.386 1730 Q HA 0.215 4.555 4.340 -0.000 0.000 0.274 1730 Q C -1.139 174.796 176.000 -0.108 0.000 1.011 1730 Q CA -0.754 54.980 55.803 -0.115 0.000 0.867 1730 Q CB 1.615 30.254 28.738 -0.165 0.000 1.409 1730 Q HN 0.667 nan 8.270 nan 0.000 0.395 1731 D N 1.234 121.574 120.400 -0.100 0.000 2.325 1731 D HA 0.099 4.739 4.640 -0.000 0.000 0.225 1731 D C -0.169 176.080 176.300 -0.085 0.000 1.096 1731 D CA -0.034 53.916 54.000 -0.084 0.000 0.844 1731 D CB 0.537 41.295 40.800 -0.070 0.000 0.925 1731 D HN 0.230 nan 8.370 nan 0.000 0.513 1732 V N 2.169 122.022 119.914 -0.103 0.000 2.465 1732 V HA 0.177 4.297 4.120 -0.000 0.000 0.263 1732 V C 0.251 176.270 176.094 -0.125 0.000 0.981 1732 V CA -1.135 61.107 62.300 -0.097 0.000 0.838 1732 V CB 0.419 32.193 31.823 -0.082 0.000 1.068 1732 V HN 0.170 nan 8.190 nan 0.000 0.458 1733 R N 1.117 121.538 120.500 -0.131 0.000 2.638 1733 R HA 0.175 4.515 4.340 -0.000 0.000 0.268 1733 R C 0.640 176.839 176.300 -0.168 0.000 1.006 1733 R CA 0.327 56.328 56.100 -0.164 0.000 1.088 1733 R CB -0.143 30.052 30.300 -0.175 0.000 0.950 1733 R HN 0.664 nan 8.270 nan 0.000 0.419 1734 T N 1.211 115.646 114.554 -0.197 0.000 2.830 1734 T HA -0.119 4.231 4.350 -0.000 0.000 0.282 1734 T C 0.539 175.149 174.700 -0.150 0.000 1.024 1734 T CA 0.561 62.550 62.100 -0.185 0.000 1.144 1734 T CB 0.049 68.794 68.868 -0.206 0.000 1.035 1734 T HN 0.950 nan 8.240 nan 0.000 0.507 1735 N N -0.334 118.302 118.700 -0.106 0.000 2.943 1735 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 1735 N C -0.111 175.366 175.510 -0.054 0.000 1.199 1735 N CA 1.457 54.463 53.050 -0.074 0.000 1.072 1735 N CB -1.980 36.452 38.487 -0.092 0.000 0.968 1735 N HN 0.883 nan 8.380 nan 0.000 0.556 1736 T N 2.424 116.940 114.554 -0.064 0.000 2.765 1736 T HA 0.244 4.594 4.350 -0.000 0.000 0.275 1736 T C 0.917 175.605 174.700 -0.020 0.000 1.007 1736 T CA 0.731 62.804 62.100 -0.045 0.000 1.175 1736 T CB 0.460 69.298 68.868 -0.050 0.000 0.993 1736 T HN 0.467 nan 8.240 nan 0.000 0.510 1737 A N 3.983 126.795 122.820 -0.013 0.000 2.591 1737 A HA 0.036 4.356 4.320 -0.000 0.000 0.244 1737 A C 1.473 179.062 177.584 0.009 0.000 1.031 1737 A CA -0.125 51.912 52.037 0.000 0.000 0.767 1737 A CB -0.424 18.575 19.000 -0.001 0.000 0.942 1737 A HN 1.066 nan 8.150 nan 0.000 0.514 1738 I N 2.554 123.138 120.570 0.024 0.000 2.928 1738 I HA -0.070 4.100 4.170 -0.000 0.000 0.266 1738 I C 2.388 178.520 176.117 0.026 0.000 1.234 1738 I CA 1.310 62.633 61.300 0.037 0.000 1.483 1738 I CB -0.174 37.867 38.000 0.068 0.000 1.097 1738 I HN 0.750 nan 8.210 nan 0.000 0.455 1739 K N 0.828 121.239 120.400 0.017 0.000 2.664 1739 K HA -0.042 4.278 4.320 -0.000 0.000 0.193 1739 K C 0.707 177.311 176.600 0.007 0.000 1.028 1739 K CA 1.274 57.567 56.287 0.011 0.000 1.005 1739 K CB -0.940 31.565 32.500 0.008 0.000 0.815 1739 K HN 0.640 nan 8.250 nan 0.000 0.496 1740 N N -1.037 117.667 118.700 0.007 0.000 2.073 1740 N HA 0.098 4.838 4.740 -0.000 0.000 0.227 1740 N C -0.803 174.708 175.510 0.001 0.000 1.367 1740 N CA -0.287 52.764 53.050 0.002 0.000 0.775 1740 N CB 0.664 39.151 38.487 -0.001 0.000 1.234 1740 N HN 0.203 nan 8.380 nan 0.000 0.512 1741 I N 2.453 123.027 120.570 0.006 0.000 3.078 1741 I HA 0.079 4.249 4.170 -0.000 0.000 0.296 1741 I C 1.905 178.027 176.117 0.008 0.000 1.195 1741 I CA 0.082 61.385 61.300 0.005 0.000 1.542 1741 I CB -0.427 37.582 38.000 0.014 0.000 1.414 1741 I HN 0.082 nan 8.210 nan 0.000 0.598 1742 K N 2.258 122.658 120.400 0.001 0.000 2.444 1742 K HA -0.127 4.193 4.320 -0.000 0.000 0.200 1742 K C 1.148 177.745 176.600 -0.004 0.000 1.045 1742 K CA 1.557 57.844 56.287 0.000 0.000 0.934 1742 K CB -0.415 32.083 32.500 -0.004 0.000 0.756 1742 K HN 0.535 nan 8.250 nan 0.000 0.477 1743 K N -1.665 118.729 120.400 -0.010 0.000 2.579 1743 K HA 0.682 5.002 4.320 -0.000 0.000 0.284 1743 K C -1.926 174.652 176.600 -0.037 0.000 0.990 1743 K CA -0.757 55.515 56.287 -0.024 0.000 0.880 1743 K CB 1.601 34.081 32.500 -0.033 0.000 1.488 1743 K HN 0.093 nan 8.250 nan 0.000 0.425 1744 I N 2.507 123.039 120.570 -0.064 0.000 2.611 1744 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 1744 I C -1.219 174.809 176.117 -0.148 0.000 1.184 1744 I CA -0.753 60.493 61.300 -0.090 0.000 1.054 1744 I CB 2.123 40.076 38.000 -0.078 0.000 1.257 1744 I HN 0.390 nan 8.210 nan 0.000 0.435 1745 K N 6.561 126.880 120.400 -0.136 0.000 2.262 1745 K HA 0.582 4.902 4.320 -0.000 0.000 0.282 1745 K C -1.000 175.504 176.600 -0.160 0.000 1.066 1745 K CA -0.203 55.988 56.287 -0.160 0.000 0.901 1745 K CB 0.990 33.428 32.500 -0.103 0.000 1.089 1745 K HN 0.468 nan 8.250 nan 0.000 0.476 1746 L N 3.707 124.793 121.223 -0.227 0.000 2.276 1746 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 1746 L C -0.220 176.648 176.870 -0.004 0.000 1.024 1746 L CA -0.747 54.013 54.840 -0.133 0.000 0.826 1746 L CB 1.501 43.465 42.059 -0.157 0.000 1.211 1746 L HN 0.592 nan 8.230 nan 0.000 0.422 1747 T N 4.559 119.126 114.554 0.022 0.000 2.761 1747 T HA 0.423 4.773 4.350 -0.000 0.000 0.296 1747 T C 0.396 175.161 174.700 0.107 0.000 0.934 1747 T CA -0.306 61.832 62.100 0.064 0.000 1.091 1747 T CB 0.635 69.523 68.868 0.034 0.000 0.896 1747 T HN 0.268 nan 8.240 nan 0.000 0.515 1748 L N 2.179 123.483 121.223 0.136 0.000 2.469 1748 L HA 0.845 5.185 4.340 -0.000 0.000 0.253 1748 L C 1.076 177.987 176.870 0.069 0.000 1.143 1748 L CA -0.493 54.417 54.840 0.115 0.000 0.804 1748 L CB 0.728 42.851 42.059 0.107 0.000 1.214 1748 L HN 0.862 nan 8.230 nan 0.000 0.476 1749 G N 0.000 108.827 108.800 0.045 0.000 5.446 1749 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1749 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1749 G CA 0.000 45.119 45.100 0.031 0.000 0.502 1749 G HN 0.000 nan 8.290 nan 0.000 0.925