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 1cb6_1_A DATA FIRST_RESID 1001 DATA SEQUENCE GRRRSVQWcA VSQPEATKcF QWQRNMRKVR GPPVScIKRD SPIQcIQAIA DATA SEQUENCE ENRADAVTLD GGFIYEAGLA PYKLRPVAAE VYGTERQPRT HYYAVAVVKK DATA SEQUENCE GGSFQLNELQ GLKScHTGLR RTAGWNVPIG TLRPFLNWTG PPEPIEAAVA DATA SEQUENCE RFFSAScVPG ADKGQFPNLc RLcAGTGENK cAFSSQEPYF SYSGAFKcLR DATA SEQUENCE DGAGDVAFIR ESTVFEDLSD EAERDEYELL cPDNTRKPVD KFKDcHLARV DATA SEQUENCE PSHAVVARSV NGKEDAIWNL LRQAQEKFGK DKSPKFQLFG SPSGQKDLLF DATA SEQUENCE KDSAIGFSRV PPRIDSGLYL GSGYFTAIQN LRKSEEEVAA RRARVVWcAV DATA SEQUENCE GEQELRKcNQ WSGLSEGSVT cSSASTTEDc IALVLKGEAD AMSLDGGYVY DATA SEQUENCE TAGKcGLVPV LAENYKSQQS SDPDPNcVDR PVEGYLAVAV VRRSDTSLTW DATA SEQUENCE NSVKGKKScH TAVDRTAGWN IPMGLLFNQT GScKFDEYFS QScAPGSDPR DATA SEQUENCE SNLcALcIGD EQGENKcVPN SNERYYGYTG AFRcLAENAG DVAFVKDVTV DATA SEQUENCE LQNTDGNNNE AWAKDLKLAD FALLcLDGKR KPVTEARScH LAMAPNHAVV DATA SEQUENCE SRMDKVERLK QVLLHQQAKF GRNGSDcPDK FcLFQSETKN LLFNDNTEcL DATA SEQUENCE ARLHGKTTYE KYLGPQYVAG ITNLKKcSTS PLLEAcEFLR K 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 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 1001 G C 0.000 174.893 174.900 -0.012 0.000 0.946 1001 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 1002 R N -0.184 120.308 120.500 -0.013 0.000 3.056 1002 R HA -0.053 4.285 4.340 -0.003 0.000 0.264 1002 R C 0.299 176.592 176.300 -0.011 0.000 1.005 1002 R CA 0.961 57.053 56.100 -0.012 0.000 0.665 1002 R CB -1.500 28.794 30.300 -0.011 0.000 1.296 1002 R HN 0.671 nan 8.270 nan 0.000 0.404 1003 R N -0.163 120.329 120.500 -0.013 0.000 2.730 1003 R HA 0.485 4.824 4.340 -0.003 0.000 0.228 1003 R C 1.180 177.472 176.300 -0.013 0.000 1.312 1003 R CA -0.776 55.316 56.100 -0.013 0.000 1.093 1003 R CB 0.575 30.866 30.300 -0.015 0.000 1.583 1003 R HN 0.144 nan 8.270 nan 0.000 0.535 1004 R N 0.014 120.506 120.500 -0.015 0.000 2.237 1004 R HA 0.100 4.439 4.340 -0.003 0.000 0.195 1004 R C -0.131 176.157 176.300 -0.020 0.000 0.956 1004 R CA 0.592 56.684 56.100 -0.014 0.000 1.029 1004 R CB -0.130 30.162 30.300 -0.013 0.000 0.972 1004 R HN 0.540 nan 8.270 nan 0.000 0.493 1005 S N -0.335 115.349 115.700 -0.027 0.000 2.601 1005 S HA 0.367 4.835 4.470 -0.003 0.000 0.271 1005 S C 0.014 174.593 174.600 -0.035 0.000 1.305 1005 S CA -0.892 57.283 58.200 -0.041 0.000 1.022 1005 S CB 1.714 64.886 63.200 -0.048 0.000 0.940 1005 S HN -0.064 nan 8.310 nan 0.000 0.525 1006 V N 2.893 122.782 119.914 -0.043 0.000 2.461 1006 V HA 0.289 4.407 4.120 -0.003 0.000 0.275 1006 V C 0.314 176.404 176.094 -0.007 0.000 1.047 1006 V CA -0.317 61.976 62.300 -0.011 0.000 0.955 1006 V CB 0.774 32.619 31.823 0.037 0.000 0.988 1006 V HN 0.971 nan 8.190 nan 0.000 0.471 1007 Q N 4.994 124.789 119.800 -0.009 0.000 2.368 1007 Q HA 0.215 4.554 4.340 -0.003 0.000 0.256 1007 Q C -0.913 175.096 176.000 0.015 0.000 0.980 1007 Q CA -0.304 55.497 55.803 -0.003 0.000 0.887 1007 Q CB 0.822 29.543 28.738 -0.028 0.000 1.221 1007 Q HN 0.798 nan 8.270 nan 0.000 0.458 1008 W N 4.360 125.593 121.300 -0.112 0.000 2.381 1008 W HA 0.427 5.087 4.660 -0.001 0.000 0.329 1008 W C -0.904 175.565 176.519 -0.084 0.000 1.157 1008 W CA -0.988 56.314 57.345 -0.071 0.000 1.240 1008 W CB 1.563 31.013 29.460 -0.016 0.000 1.199 1008 W HN 0.590 nan 8.180 nan 0.000 0.579 1009 c N 5.100 123.656 118.600 -0.073 0.000 2.303 1009 c HA 0.790 5.358 4.570 -0.003 0.000 0.326 1009 c C 0.175 174.310 174.090 0.076 0.000 1.285 1009 c CA -0.253 56.054 56.329 -0.037 0.000 1.675 1009 c CB -0.491 41.926 42.510 -0.154 0.000 2.289 1009 c HN 0.603 nan 8.230 nan 0.000 0.512 1010 A N 3.993 126.840 122.820 0.044 0.000 2.325 1010 A HA 0.645 4.963 4.320 -0.003 0.000 0.333 1010 A C 0.460 178.036 177.584 -0.014 0.000 1.155 1010 A CA -0.163 51.895 52.037 0.034 0.000 0.814 1010 A CB 1.115 20.121 19.000 0.010 0.000 1.206 1010 A HN 1.698 nan 8.150 nan 0.000 0.482 1011 V N -0.436 119.465 119.914 -0.021 0.000 3.376 1011 V HA 0.465 4.583 4.120 -0.003 0.000 0.313 1011 V C 0.254 176.337 176.094 -0.019 0.000 1.393 1011 V CA 0.701 62.976 62.300 -0.042 0.000 1.125 1011 V CB -1.381 30.396 31.823 -0.077 0.000 1.037 1011 V HN 1.329 nan 8.190 nan 0.000 0.440 1012 S N -1.859 113.840 115.700 -0.002 0.000 2.547 1012 S HA 0.440 4.908 4.470 -0.003 0.000 0.270 1012 S C 0.282 174.895 174.600 0.023 0.000 1.150 1012 S CA -0.030 58.177 58.200 0.011 0.000 0.850 1012 S CB 2.101 65.311 63.200 0.016 0.000 1.118 1012 S HN 0.075 nan 8.310 nan 0.000 0.461 1013 Q N 1.487 121.307 119.800 0.034 0.000 2.062 1013 Q HA 0.019 4.357 4.340 -0.003 0.000 0.209 1013 Q C -1.149 174.885 176.000 0.057 0.000 0.996 1013 Q CA 2.824 58.658 55.803 0.052 0.000 0.859 1013 Q CB -1.817 26.952 28.738 0.052 0.000 0.920 1013 Q HN 0.669 nan 8.270 nan 0.000 0.415 1014 P HA -0.158 nan 4.420 nan 0.000 0.216 1014 P C 0.753 178.080 177.300 0.046 0.000 1.153 1014 P CA 1.701 64.831 63.100 0.050 0.000 0.858 1014 P CB -0.104 31.621 31.700 0.042 0.000 0.789 1015 E N -0.585 119.633 120.200 0.030 0.000 2.051 1015 E HA -0.182 4.166 4.350 -0.003 0.000 0.192 1015 E C 2.111 178.708 176.600 -0.004 0.000 0.991 1015 E CA 1.283 57.691 56.400 0.014 0.000 0.799 1015 E CB -0.587 29.118 29.700 0.008 0.000 0.748 1015 E HN 0.128 nan 8.360 nan 0.000 0.449 1016 A N 1.005 123.818 122.820 -0.011 0.000 1.892 1016 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 1016 A C 2.411 179.968 177.584 -0.044 0.000 1.188 1016 A CA 2.220 54.205 52.037 -0.087 0.000 0.631 1016 A CB -1.043 17.961 19.000 0.007 0.000 0.822 1016 A HN 0.216 nan 8.150 nan 0.000 0.447 1017 T N -0.529 114.094 114.554 0.114 0.000 2.720 1017 T HA -0.165 4.183 4.350 -0.003 0.000 0.268 1017 T C 1.965 176.756 174.700 0.152 0.000 1.037 1017 T CA 1.773 63.993 62.100 0.199 0.000 1.144 1017 T CB -0.186 68.767 68.868 0.143 0.000 0.864 1017 T HN 0.646 nan 8.240 nan 0.000 0.444 1018 K N 0.120 120.581 120.400 0.101 0.000 2.148 1018 K HA -0.073 4.246 4.320 -0.003 0.000 0.204 1018 K C 2.628 179.309 176.600 0.135 0.000 1.050 1018 K CA 1.006 57.377 56.287 0.141 0.000 0.942 1018 K CB -0.495 32.069 32.500 0.108 0.000 0.724 1018 K HN 0.349 nan 8.250 nan 0.000 0.446 1019 c N 0.522 119.139 118.600 0.029 0.000 2.432 1019 c HA -0.100 4.469 4.570 -0.003 0.000 0.277 1019 c C 2.291 176.349 174.090 -0.053 0.000 1.249 1019 c CA 0.624 56.956 56.329 0.004 0.000 1.725 1019 c CB -1.232 41.169 42.510 -0.181 0.000 2.028 1019 c HN 0.555 nan 8.230 nan 0.000 0.477 1020 F N 1.676 121.640 119.950 0.023 0.000 2.126 1020 F HA -0.170 4.355 4.527 -0.003 0.000 0.299 1020 F C 2.650 178.382 175.800 -0.113 0.000 1.096 1020 F CA 1.736 59.711 58.000 -0.041 0.000 1.255 1020 F CB -1.079 37.905 39.000 -0.026 0.000 0.997 1020 F HN 0.386 nan 8.300 nan 0.000 0.479 1021 Q N -0.706 119.120 119.800 0.042 0.000 2.014 1021 Q HA -0.286 4.052 4.340 -0.003 0.000 0.207 1021 Q C 2.168 177.796 176.000 -0.619 0.000 0.993 1021 Q CA 1.893 57.554 55.803 -0.236 0.000 0.850 1021 Q CB -1.519 27.120 28.738 -0.165 0.000 0.916 1021 Q HN 0.522 nan 8.270 nan 0.000 0.417 1022 W N 2.432 123.173 121.300 -0.931 0.000 2.289 1022 W HA -0.313 4.346 4.660 -0.002 0.000 0.331 1022 W C 2.453 178.635 176.519 -0.562 0.000 1.283 1022 W CA 2.257 59.041 57.345 -0.935 0.000 1.252 1022 W CB -1.028 28.238 29.460 -0.323 0.000 1.153 1022 W HN 0.425 nan 8.180 nan 0.000 0.467 1023 Q N -0.151 119.518 119.800 -0.218 0.000 2.096 1023 Q HA -0.301 4.037 4.340 -0.003 0.000 0.208 1023 Q C 2.206 178.097 176.000 -0.181 0.000 0.993 1023 Q CA 2.489 58.152 55.803 -0.234 0.000 0.862 1023 Q CB -0.345 28.340 28.738 -0.088 0.000 0.915 1023 Q HN -0.010 nan 8.270 nan 0.000 0.416 1024 R N 0.778 121.177 120.500 -0.168 0.000 2.083 1024 R HA -0.049 4.289 4.340 -0.003 0.000 0.237 1024 R C 1.933 178.129 176.300 -0.172 0.000 1.137 1024 R CA 1.797 57.809 56.100 -0.147 0.000 0.951 1024 R CB -1.025 29.192 30.300 -0.138 0.000 0.851 1024 R HN 0.503 nan 8.270 nan 0.000 0.434 1025 N N -0.389 118.119 118.700 -0.320 0.000 2.270 1025 N HA -0.063 4.675 4.740 -0.003 0.000 0.181 1025 N C 1.502 176.996 175.510 -0.025 0.000 1.016 1025 N CA 0.893 53.781 53.050 -0.271 0.000 0.870 1025 N CB 0.054 38.086 38.487 -0.758 0.000 0.979 1025 N HN 0.137 nan 8.380 nan 0.000 0.431 1026 M N 0.597 120.152 119.600 -0.076 0.000 2.175 1026 M HA -0.074 4.404 4.480 -0.003 0.000 0.264 1026 M C 2.065 178.389 176.300 0.039 0.000 1.063 1026 M CA 0.980 56.327 55.300 0.077 0.000 1.119 1026 M CB -0.967 31.596 32.600 -0.063 0.000 1.377 1026 M HN 0.112 nan 8.290 nan 0.000 0.415 1027 R N 0.403 120.889 120.500 -0.022 0.000 2.148 1027 R HA -0.100 4.238 4.340 -0.003 0.000 0.223 1027 R C 2.242 178.550 176.300 0.014 0.000 1.088 1027 R CA 0.910 57.002 56.100 -0.013 0.000 0.985 1027 R CB 0.077 30.357 30.300 -0.035 0.000 0.880 1027 R HN 0.178 nan 8.270 nan 0.000 0.451 1028 K N 0.600 121.019 120.400 0.032 0.000 2.001 1028 K HA -0.075 4.244 4.320 -0.003 0.000 0.208 1028 K C 1.758 178.404 176.600 0.076 0.000 1.048 1028 K CA 1.706 58.025 56.287 0.052 0.000 0.932 1028 K CB -0.012 32.528 32.500 0.066 0.000 0.715 1028 K HN 0.247 nan 8.250 nan 0.000 0.437 1029 V N -1.507 118.483 119.914 0.127 0.000 3.623 1029 V HA 0.234 4.352 4.120 -0.003 0.000 0.271 1029 V C 0.370 176.500 176.094 0.061 0.000 1.248 1029 V CA 0.040 62.401 62.300 0.102 0.000 1.156 1029 V CB -0.823 31.079 31.823 0.132 0.000 0.870 1029 V HN 0.357 nan 8.190 nan 0.000 0.453 1030 R N 0.258 120.790 120.500 0.053 0.000 3.152 1030 R HA -0.120 4.219 4.340 -0.003 0.000 0.252 1030 R C 0.522 176.840 176.300 0.031 0.000 0.930 1030 R CA 0.565 56.683 56.100 0.030 0.000 0.642 1030 R CB -1.386 28.925 30.300 0.018 0.000 1.205 1030 R HN 0.878 nan 8.270 nan 0.000 0.452 1031 G N 0.956 109.785 108.800 0.048 0.000 2.644 1031 G HA2 0.667 4.625 3.960 -0.003 0.000 0.307 1031 G HA3 0.667 4.625 3.960 -0.003 0.000 0.307 1031 G C -2.621 172.287 174.900 0.013 0.000 1.250 1031 G CA -1.248 43.877 45.100 0.042 0.000 0.996 1031 G HN 0.006 nan 8.290 nan 0.000 0.489 1032 P HA 0.149 nan 4.420 nan 0.000 0.265 1032 P C -2.299 174.955 177.300 -0.077 0.000 1.187 1032 P CA -0.481 62.601 63.100 -0.030 0.000 0.766 1032 P CB 0.344 32.029 31.700 -0.025 0.000 0.820 1033 P HA 0.133 nan 4.420 nan 0.000 0.278 1033 P C -0.992 176.187 177.300 -0.200 0.000 1.238 1033 P CA -0.030 62.992 63.100 -0.129 0.000 0.794 1033 P CB 0.994 32.645 31.700 -0.082 0.000 0.955 1034 V N 2.374 122.105 119.914 -0.305 0.000 2.531 1034 V HA 0.441 4.559 4.120 -0.003 0.000 0.301 1034 V C -0.372 175.576 176.094 -0.244 0.000 1.034 1034 V CA -0.286 61.787 62.300 -0.379 0.000 0.865 1034 V CB 1.919 33.213 31.823 -0.882 0.000 0.995 1034 V HN 0.736 nan 8.190 nan 0.000 0.424 1035 S N 5.062 120.681 115.700 -0.134 0.000 2.747 1035 S HA 0.775 5.243 4.470 -0.003 0.000 0.300 1035 S C -0.744 173.818 174.600 -0.064 0.000 1.121 1035 S CA -0.711 57.449 58.200 -0.067 0.000 0.995 1035 S CB 1.780 64.966 63.200 -0.023 0.000 1.113 1035 S HN 0.891 nan 8.310 nan 0.000 0.547 1036 c N 1.544 120.100 118.600 -0.074 0.000 2.535 1036 c HA 0.746 5.314 4.570 -0.003 0.000 0.319 1036 c C -0.003 174.035 174.090 -0.086 0.000 1.171 1036 c CA -0.939 55.294 56.329 -0.160 0.000 1.394 1036 c CB -0.356 41.808 42.510 -0.576 0.000 1.990 1036 c HN 0.944 nan 8.230 nan 0.000 0.466 1037 I N 0.266 120.807 120.570 -0.048 0.000 2.910 1037 I HA 0.770 4.939 4.170 -0.003 0.000 0.310 1037 I C -0.763 175.335 176.117 -0.031 0.000 1.043 1037 I CA -0.473 60.813 61.300 -0.023 0.000 1.053 1037 I CB 1.554 39.545 38.000 -0.015 0.000 1.242 1037 I HN 0.408 nan 8.210 nan 0.000 0.452 1038 K N 3.116 123.510 120.400 -0.009 0.000 2.316 1038 K HA 0.600 4.919 4.320 -0.003 0.000 0.251 1038 K C -1.179 175.414 176.600 -0.011 0.000 0.934 1038 K CA -0.658 55.624 56.287 -0.008 0.000 0.802 1038 K CB 1.861 34.370 32.500 0.016 0.000 1.171 1038 K HN 0.739 nan 8.250 nan 0.000 0.426 1039 R N 1.135 121.621 120.500 -0.023 0.000 2.885 1039 R HA 0.332 4.670 4.340 -0.003 0.000 0.260 1039 R C -0.082 176.202 176.300 -0.028 0.000 1.107 1039 R CA -0.625 55.457 56.100 -0.030 0.000 0.978 1039 R CB 0.447 30.715 30.300 -0.054 0.000 1.227 1039 R HN 0.584 nan 8.270 nan 0.000 0.473 1040 D N -0.136 120.247 120.400 -0.029 0.000 2.379 1040 D HA 0.074 4.713 4.640 -0.003 0.000 0.208 1040 D C 0.048 176.325 176.300 -0.038 0.000 1.065 1040 D CA 0.542 54.529 54.000 -0.021 0.000 0.848 1040 D CB 0.602 41.398 40.800 -0.008 0.000 0.949 1040 D HN 0.431 nan 8.370 nan 0.000 0.509 1041 S N -1.183 114.475 115.700 -0.069 0.000 2.567 1041 S HA 0.353 4.822 4.470 -0.003 0.000 0.270 1041 S C -2.640 171.838 174.600 -0.203 0.000 1.152 1041 S CA -1.014 57.119 58.200 -0.111 0.000 0.835 1041 S CB 2.404 65.562 63.200 -0.069 0.000 1.115 1041 S HN -0.375 nan 8.310 nan 0.000 0.459 1042 P HA -0.072 nan 4.420 nan 0.000 0.215 1042 P C 1.503 178.532 177.300 -0.451 0.000 1.157 1042 P CA 0.899 63.658 63.100 -0.569 0.000 0.874 1042 P CB -0.032 30.872 31.700 -1.326 0.000 0.790 1043 I N -0.998 119.369 120.570 -0.338 0.000 2.614 1043 I HA -0.209 3.959 4.170 -0.003 0.000 0.258 1043 I C 2.093 178.094 176.117 -0.193 0.000 1.189 1043 I CA 1.562 62.750 61.300 -0.187 0.000 1.462 1043 I CB -0.475 37.531 38.000 0.008 0.000 1.092 1043 I HN -0.075 nan 8.210 nan 0.000 0.442 1044 Q N -0.985 118.726 119.800 -0.149 0.000 2.172 1044 Q HA -0.169 4.169 4.340 -0.003 0.000 0.200 1044 Q C 2.430 178.347 176.000 -0.137 0.000 0.964 1044 Q CA 1.670 57.407 55.803 -0.109 0.000 0.855 1044 Q CB -0.146 28.549 28.738 -0.072 0.000 0.918 1044 Q HN 0.566 nan 8.270 nan 0.000 0.444 1045 c N 0.098 118.592 118.600 -0.176 0.000 2.457 1045 c HA -0.059 4.509 4.570 -0.003 0.000 0.278 1045 c C 2.468 176.426 174.090 -0.221 0.000 1.309 1045 c CA 0.336 56.555 56.329 -0.184 0.000 1.735 1045 c CB -0.680 41.712 42.510 -0.197 0.000 1.992 1045 c HN 0.467 nan 8.230 nan 0.000 0.493 1046 I N 0.339 120.737 120.570 -0.286 0.000 2.252 1046 I HA -0.253 3.916 4.170 -0.003 0.000 0.245 1046 I C 2.629 178.521 176.117 -0.374 0.000 1.102 1046 I CA 1.485 62.562 61.300 -0.370 0.000 1.385 1046 I CB -0.500 37.185 38.000 -0.524 0.000 1.064 1046 I HN 0.387 nan 8.210 nan 0.000 0.414 1047 Q N 0.564 120.160 119.800 -0.339 0.000 2.030 1047 Q HA -0.241 4.097 4.340 -0.003 0.000 0.204 1047 Q C 2.451 178.425 176.000 -0.044 0.000 0.986 1047 Q CA 2.314 58.059 55.803 -0.096 0.000 0.843 1047 Q CB -0.389 28.350 28.738 0.003 0.000 0.904 1047 Q HN 0.586 nan 8.270 nan 0.000 0.420 1048 A N 0.471 123.245 122.820 -0.077 0.000 1.917 1048 A HA -0.230 4.088 4.320 -0.003 0.000 0.219 1048 A C 2.024 179.567 177.584 -0.068 0.000 1.182 1048 A CA 1.631 53.631 52.037 -0.062 0.000 0.633 1048 A CB -0.796 18.159 19.000 -0.075 0.000 0.819 1048 A HN 0.400 nan 8.150 nan 0.000 0.448 1049 I N -0.538 119.970 120.570 -0.102 0.000 2.286 1049 I HA -0.204 3.964 4.170 -0.003 0.000 0.245 1049 I C 2.918 179.002 176.117 -0.054 0.000 1.104 1049 I CA 0.874 62.113 61.300 -0.102 0.000 1.397 1049 I CB -0.348 37.563 38.000 -0.149 0.000 1.072 1049 I HN 0.337 nan 8.210 nan 0.000 0.417 1050 A N 0.464 123.273 122.820 -0.018 0.000 1.978 1050 A HA -0.212 4.106 4.320 -0.003 0.000 0.220 1050 A C 2.021 179.621 177.584 0.027 0.000 1.170 1050 A CA 1.678 53.742 52.037 0.045 0.000 0.636 1050 A CB -0.503 18.609 19.000 0.187 0.000 0.810 1050 A HN 0.475 nan 8.150 nan 0.000 0.448 1051 E N -0.923 119.286 120.200 0.015 0.000 2.465 1051 E HA 0.066 4.414 4.350 -0.003 0.000 0.191 1051 E C 0.032 176.626 176.600 -0.010 0.000 1.053 1051 E CA -0.167 56.237 56.400 0.007 0.000 0.869 1051 E CB 0.033 29.741 29.700 0.013 0.000 0.977 1051 E HN 0.533 nan 8.360 nan 0.000 0.483 1052 N N 0.406 119.093 118.700 -0.022 0.000 2.909 1052 N HA -0.229 4.509 4.740 -0.003 0.000 0.242 1052 N C 0.472 175.963 175.510 -0.032 0.000 0.975 1052 N CA 0.658 53.690 53.050 -0.030 0.000 0.921 1052 N CB -0.616 37.858 38.487 -0.022 0.000 1.112 1052 N HN 0.257 nan 8.380 nan 0.000 0.581 1053 R N 0.191 120.672 120.500 -0.032 0.000 2.307 1053 R HA 0.273 4.611 4.340 -0.003 0.000 0.199 1053 R C 0.826 177.099 176.300 -0.046 0.000 1.000 1053 R CA 1.114 57.195 56.100 -0.032 0.000 1.023 1053 R CB 0.371 30.656 30.300 -0.025 0.000 0.908 1053 R HN 0.282 nan 8.270 nan 0.000 0.473 1054 A N -0.533 122.247 122.820 -0.067 0.000 2.581 1054 A HA 0.337 4.655 4.320 -0.003 0.000 0.290 1054 A C -0.978 176.534 177.584 -0.120 0.000 1.119 1054 A CA -0.882 51.099 52.037 -0.093 0.000 0.670 1054 A CB 1.271 20.200 19.000 -0.118 0.000 1.280 1054 A HN -0.046 nan 8.150 nan 0.000 0.425 1055 D N -0.521 119.784 120.400 -0.159 0.000 2.597 1055 D HA 0.433 5.072 4.640 -0.003 0.000 0.261 1055 D C 0.634 176.762 176.300 -0.287 0.000 1.023 1055 D CA 1.472 55.369 54.000 -0.173 0.000 0.927 1055 D CB 0.873 41.601 40.800 -0.121 0.000 1.168 1055 D HN 0.846 nan 8.370 nan 0.000 0.491 1056 A N 0.380 122.901 122.820 -0.498 0.000 2.556 1056 A HA 0.684 5.002 4.320 -0.003 0.000 0.294 1056 A C -1.436 175.452 177.584 -1.160 0.000 1.091 1056 A CA -0.610 50.936 52.037 -0.818 0.000 0.704 1056 A CB 2.532 20.879 19.000 -1.089 0.000 1.300 1056 A HN -0.045 nan 8.150 nan 0.000 0.406 1057 V N 0.290 119.673 119.914 -0.885 0.000 3.036 1057 V HA 0.580 4.698 4.120 -0.003 0.000 0.288 1057 V C -0.848 175.141 176.094 -0.176 0.000 1.407 1057 V CA -0.274 61.688 62.300 -0.564 0.000 0.983 1057 V CB 2.464 34.079 31.823 -0.347 0.000 1.128 1057 V HN 1.133 nan 8.190 nan 0.000 0.439 1058 T N 7.142 121.740 114.554 0.074 0.000 2.806 1058 T HA 0.688 5.036 4.350 -0.003 0.000 0.290 1058 T C -0.382 174.365 174.700 0.078 0.000 0.966 1058 T CA -0.130 62.076 62.100 0.177 0.000 1.060 1058 T CB 0.645 69.705 68.868 0.320 0.000 0.927 1058 T HN 0.515 nan 8.240 nan 0.000 0.485 1059 L N 2.728 124.000 121.223 0.082 0.000 2.333 1059 L HA 0.548 4.887 4.340 -0.003 0.000 0.263 1059 L C -0.010 176.854 176.870 -0.011 0.000 1.014 1059 L CA -1.369 53.489 54.840 0.030 0.000 0.820 1059 L CB 1.971 44.074 42.059 0.073 0.000 1.352 1059 L HN 0.647 nan 8.230 nan 0.000 0.421 1060 D N 0.336 120.663 120.400 -0.121 0.000 2.451 1060 D HA 0.164 4.802 4.640 -0.003 0.000 0.259 1060 D C 1.147 177.572 176.300 0.208 0.000 1.201 1060 D CA -0.165 53.765 54.000 -0.116 0.000 1.028 1060 D CB 0.851 41.538 40.800 -0.187 0.000 1.095 1060 D HN 0.554 nan 8.370 nan 0.000 0.539 1061 G N -0.733 108.257 108.800 0.318 0.000 2.476 1061 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 1061 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 1061 G C 1.424 176.392 174.900 0.113 0.000 1.164 1061 G CA 1.008 46.276 45.100 0.279 0.000 0.768 1061 G HN 0.641 nan 8.290 nan 0.000 0.560 1062 G N 0.017 108.885 108.800 0.113 0.000 2.422 1062 G HA2 -0.102 3.857 3.960 -0.003 0.000 0.218 1062 G HA3 -0.102 3.857 3.960 -0.003 0.000 0.218 1062 G C 1.540 176.366 174.900 -0.123 0.000 1.146 1062 G CA 0.660 45.727 45.100 -0.056 0.000 0.769 1062 G HN 0.359 nan 8.290 nan 0.000 0.547 1063 F N 0.275 120.282 119.950 0.096 0.000 2.512 1063 F HA 0.314 4.839 4.527 -0.003 0.000 0.296 1063 F C 2.405 178.237 175.800 0.053 0.000 1.110 1063 F CA -0.163 57.873 58.000 0.060 0.000 1.446 1063 F CB -0.022 38.981 39.000 0.004 0.000 1.092 1063 F HN 0.040 nan 8.300 nan 0.000 0.554 1064 I N -1.193 119.508 120.570 0.218 0.000 2.286 1064 I HA -0.345 3.823 4.170 -0.003 0.000 0.248 1064 I C 2.349 178.553 176.117 0.144 0.000 1.115 1064 I CA 1.301 62.689 61.300 0.147 0.000 1.392 1064 I CB -0.444 37.650 38.000 0.155 0.000 1.065 1064 I HN 0.121 nan 8.210 nan 0.000 0.418 1065 Y N 1.973 122.302 120.300 0.049 0.000 2.089 1065 Y HA -0.288 4.260 4.550 -0.003 0.000 0.282 1065 Y C 2.555 178.513 175.900 0.097 0.000 1.139 1065 Y CA 1.759 59.901 58.100 0.071 0.000 1.123 1065 Y CB -0.201 38.255 38.460 -0.006 0.000 0.980 1065 Y HN 0.094 nan 8.280 nan 0.000 0.493 1066 E N 0.266 120.526 120.200 0.100 0.000 2.118 1066 E HA -0.220 4.128 4.350 -0.003 0.000 0.195 1066 E C 2.336 178.994 176.600 0.096 0.000 0.992 1066 E CA 1.175 57.617 56.400 0.070 0.000 0.804 1066 E CB -0.628 29.186 29.700 0.190 0.000 0.741 1066 E HN 0.597 nan 8.360 nan 0.000 0.458 1067 A N 0.883 123.752 122.820 0.081 0.000 2.015 1067 A HA -0.013 4.306 4.320 -0.003 0.000 0.219 1067 A C 2.392 180.017 177.584 0.068 0.000 1.163 1067 A CA 1.519 53.587 52.037 0.051 0.000 0.646 1067 A CB -0.649 18.351 19.000 -0.002 0.000 0.806 1067 A HN 0.314 nan 8.150 nan 0.000 0.448 1068 G N -0.564 108.232 108.800 -0.006 0.000 2.511 1068 G HA2 0.218 4.176 3.960 -0.003 0.000 0.217 1068 G HA3 0.218 4.176 3.960 -0.003 0.000 0.217 1068 G C 0.692 175.564 174.900 -0.046 0.000 1.133 1068 G CA -0.051 45.029 45.100 -0.034 0.000 0.792 1068 G HN 0.421 nan 8.290 nan 0.000 0.539 1069 L N 0.899 122.079 121.223 -0.071 0.000 2.464 1069 L HA 0.457 4.795 4.340 -0.003 0.000 0.264 1069 L C 1.091 177.917 176.870 -0.072 0.000 1.199 1069 L CA -0.811 53.974 54.840 -0.092 0.000 0.818 1069 L CB 0.622 42.603 42.059 -0.130 0.000 1.102 1069 L HN 0.098 nan 8.230 nan 0.000 0.473 1070 A N 3.042 125.792 122.820 -0.116 0.000 2.483 1070 A HA 0.308 4.626 4.320 -0.003 0.000 0.238 1070 A C -1.636 175.738 177.584 -0.351 0.000 1.070 1070 A CA -0.778 51.149 52.037 -0.184 0.000 0.770 1070 A CB -0.330 18.590 19.000 -0.132 0.000 1.008 1070 A HN 0.661 nan 8.150 nan 0.000 0.497 1071 P HA 0.184 nan 4.420 nan 0.000 0.249 1071 P C -0.362 176.733 177.300 -0.342 0.000 1.583 1071 P CA 0.355 63.216 63.100 -0.398 0.000 0.988 1071 P CB -0.044 31.444 31.700 -0.354 0.000 1.530 1072 Y N 0.417 120.693 120.300 -0.040 0.000 2.284 1072 Y HA 0.201 4.750 4.550 -0.002 0.000 0.293 1072 Y C 1.275 177.145 175.900 -0.051 0.000 1.140 1072 Y CA 0.054 58.128 58.100 -0.043 0.000 1.153 1072 Y CB -0.720 37.717 38.460 -0.039 0.000 1.114 1072 Y HN -0.185 nan 8.280 nan 0.000 0.521 1073 K N 0.220 120.680 120.400 0.100 0.000 3.125 1073 K HA -0.150 4.168 4.320 -0.003 0.000 0.268 1073 K C -1.088 175.519 176.600 0.012 0.000 1.078 1073 K CA 0.302 56.603 56.287 0.022 0.000 0.775 1073 K CB -2.056 30.439 32.500 -0.007 0.000 1.253 1073 K HN 0.233 nan 8.250 nan 0.000 0.486 1074 L N 0.293 121.527 121.223 0.018 0.000 2.421 1074 L HA 0.534 4.872 4.340 -0.003 0.000 0.263 1074 L C 0.884 177.725 176.870 -0.047 0.000 1.122 1074 L CA -0.661 54.163 54.840 -0.026 0.000 0.804 1074 L CB 1.190 43.222 42.059 -0.046 0.000 1.150 1074 L HN 0.297 nan 8.230 nan 0.000 0.457 1075 R N 0.698 121.156 120.500 -0.070 0.000 2.837 1075 R HA 0.645 4.983 4.340 -0.003 0.000 0.271 1075 R C -2.978 173.248 176.300 -0.124 0.000 0.993 1075 R CA -2.056 53.990 56.100 -0.089 0.000 0.931 1075 R CB 1.307 31.558 30.300 -0.082 0.000 1.206 1075 R HN 0.165 nan 8.270 nan 0.000 0.474 1076 P HA 0.007 nan 4.420 nan 0.000 0.276 1076 P C 0.274 177.469 177.300 -0.175 0.000 1.235 1076 P CA -0.481 62.461 63.100 -0.264 0.000 0.772 1076 P CB 1.310 32.633 31.700 -0.628 0.000 0.871 1077 V N 0.238 120.089 119.914 -0.104 0.000 3.562 1077 V HA 0.728 4.846 4.120 -0.003 0.000 0.270 1077 V C 0.274 176.367 176.094 -0.001 0.000 1.418 1077 V CA 0.371 62.632 62.300 -0.066 0.000 1.033 1077 V CB -0.227 31.579 31.823 -0.029 0.000 0.820 1077 V HN 0.524 nan 8.190 nan 0.000 0.441 1078 A N 0.234 123.103 122.820 0.082 0.000 2.540 1078 A HA 0.926 5.244 4.320 -0.003 0.000 0.297 1078 A C -0.519 177.253 177.584 0.315 0.000 1.056 1078 A CA 0.038 52.218 52.037 0.237 0.000 0.700 1078 A CB 1.368 20.590 19.000 0.371 0.000 1.280 1078 A HN 1.439 nan 8.150 nan 0.000 0.398 1079 A N 1.530 124.603 122.820 0.420 0.000 2.312 1079 A HA 0.706 5.024 4.320 -0.003 0.000 0.328 1079 A C 0.030 177.867 177.584 0.421 0.000 1.158 1079 A CA -0.469 51.829 52.037 0.435 0.000 0.821 1079 A CB 0.361 19.659 19.000 0.496 0.000 1.170 1079 A HN 0.824 nan 8.150 nan 0.000 0.490 1080 E N 0.205 120.587 120.200 0.304 0.000 2.398 1080 E HA 0.337 4.686 4.350 -0.003 0.000 0.263 1080 E C -0.879 175.445 176.600 -0.460 0.000 1.046 1080 E CA 0.126 56.512 56.400 -0.022 0.000 0.908 1080 E CB 0.882 30.572 29.700 -0.017 0.000 0.963 1080 E HN 0.361 nan 8.360 nan 0.000 0.431 1081 V N 4.139 123.715 119.914 -0.563 0.000 2.448 1081 V HA 0.286 4.405 4.120 -0.003 0.000 0.295 1081 V C -0.928 174.844 176.094 -0.538 0.000 1.025 1081 V CA -0.709 61.268 62.300 -0.538 0.000 0.859 1081 V CB 0.447 32.110 31.823 -0.267 0.000 0.988 1081 V HN 0.513 nan 8.190 nan 0.000 0.431 1082 Y N 1.860 122.056 120.300 -0.173 0.000 2.699 1082 Y HA 0.900 5.447 4.550 -0.005 0.000 0.326 1082 Y C 1.176 176.985 175.900 -0.153 0.000 1.141 1082 Y CA -0.137 57.855 58.100 -0.179 0.000 1.246 1082 Y CB 0.809 39.184 38.460 -0.143 0.000 1.426 1082 Y HN 0.905 nan 8.280 nan 0.000 0.559 1083 G N 0.229 109.060 108.800 0.052 0.000 2.523 1083 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.271 1083 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.271 1083 G C -0.224 174.649 174.900 -0.044 0.000 1.146 1083 G CA 0.093 45.182 45.100 -0.019 0.000 0.961 1083 G HN 1.287 nan 8.290 nan 0.000 0.549 1084 T N -1.308 113.217 114.554 -0.049 0.000 2.865 1084 T HA 0.649 4.998 4.350 -0.003 0.000 0.294 1084 T C -0.351 174.320 174.700 -0.048 0.000 1.119 1084 T CA 0.188 62.258 62.100 -0.049 0.000 1.007 1084 T CB 2.041 70.885 68.868 -0.039 0.000 1.225 1084 T HN 1.104 nan 8.240 nan 0.000 0.515 1085 E N 2.000 122.175 120.200 -0.042 0.000 2.415 1085 E HA 0.143 4.491 4.350 -0.003 0.000 0.263 1085 E C 0.835 177.421 176.600 -0.024 0.000 0.995 1085 E CA -0.361 56.021 56.400 -0.031 0.000 0.915 1085 E CB 0.498 30.185 29.700 -0.022 0.000 0.951 1085 E HN 0.911 nan 8.360 nan 0.000 0.449 1086 R N 1.904 122.392 120.500 -0.020 0.000 3.922 1086 R HA -0.322 4.016 4.340 -0.003 0.000 0.447 1086 R C -0.272 176.014 176.300 -0.024 0.000 1.035 1086 R CA 1.953 58.043 56.100 -0.017 0.000 1.289 1086 R CB -1.529 28.765 30.300 -0.011 0.000 1.906 1086 R HN 0.682 nan 8.270 nan 0.000 0.540 1087 Q N 0.530 120.311 119.800 -0.033 0.000 2.632 1087 Q HA 0.385 4.723 4.340 -0.003 0.000 0.352 1087 Q C -2.600 173.369 176.000 -0.052 0.000 0.821 1087 Q CA -1.654 54.125 55.803 -0.040 0.000 1.060 1087 Q CB 1.562 30.277 28.738 -0.038 0.000 1.429 1087 Q HN 0.263 nan 8.270 nan 0.000 0.391 1088 P HA 0.209 nan 4.420 nan 0.000 0.285 1088 P C -0.934 176.299 177.300 -0.112 0.000 1.259 1088 P CA -0.315 62.734 63.100 -0.084 0.000 0.794 1088 P CB 0.819 32.467 31.700 -0.086 0.000 0.940 1089 R N 2.006 122.442 120.500 -0.106 0.000 2.295 1089 R HA 0.323 4.662 4.340 -0.003 0.000 0.324 1089 R C 0.543 176.715 176.300 -0.212 0.000 0.968 1089 R CA -0.116 55.904 56.100 -0.133 0.000 0.837 1089 R CB 0.885 31.176 30.300 -0.015 0.000 1.133 1089 R HN 0.475 nan 8.270 nan 0.000 0.450 1090 T N -0.807 113.515 114.554 -0.387 0.000 3.069 1090 T HA 0.147 4.495 4.350 -0.003 0.000 0.252 1090 T C 0.600 175.122 174.700 -0.297 0.000 1.053 1090 T CA 0.074 61.942 62.100 -0.386 0.000 0.964 1090 T CB -0.085 68.522 68.868 -0.435 0.000 1.005 1090 T HN 0.773 nan 8.240 nan 0.000 0.532 1091 H N -0.942 118.059 119.070 -0.115 0.000 2.876 1091 H HA 0.480 5.036 4.556 0.000 0.000 0.284 1091 H C -1.715 173.551 175.328 -0.103 0.000 1.445 1091 H CA -1.377 54.566 56.048 -0.173 0.000 1.141 1091 H CB 0.491 30.015 29.762 -0.396 0.000 1.816 1091 H HN 0.211 nan 8.280 nan 0.000 0.511 1092 Y N -1.000 119.257 120.300 -0.072 0.000 2.705 1092 Y HA 0.697 5.245 4.550 -0.004 0.000 0.332 1092 Y C -2.011 173.644 175.900 -0.408 0.000 1.157 1092 Y CA -1.454 56.538 58.100 -0.180 0.000 1.091 1092 Y CB 1.137 39.514 38.460 -0.138 0.000 1.301 1092 Y HN 0.527 nan 8.280 nan 0.000 0.488 1093 Y N 0.837 121.158 120.300 0.035 0.000 2.364 1093 Y HA 0.698 5.246 4.550 -0.004 0.000 0.340 1093 Y C 0.015 175.953 175.900 0.063 0.000 0.975 1093 Y CA -1.165 56.881 58.100 -0.091 0.000 1.089 1093 Y CB 2.112 40.520 38.460 -0.086 0.000 1.192 1093 Y HN 0.890 nan 8.280 nan 0.000 0.454 1094 A N 3.869 126.775 122.820 0.144 0.000 2.410 1094 A HA 0.527 4.845 4.320 -0.003 0.000 0.292 1094 A C -0.151 177.573 177.584 0.233 0.000 1.232 1094 A CA -0.333 51.815 52.037 0.185 0.000 0.893 1094 A CB -0.924 18.125 19.000 0.080 0.000 1.131 1094 A HN 0.670 nan 8.150 nan 0.000 0.530 1095 V N -0.122 119.920 119.914 0.213 0.000 2.919 1095 V HA 0.939 5.058 4.120 -0.003 0.000 0.316 1095 V C 0.150 176.342 176.094 0.164 0.000 1.077 1095 V CA -0.597 61.820 62.300 0.194 0.000 0.977 1095 V CB 1.645 33.557 31.823 0.148 0.000 1.039 1095 V HN 1.323 nan 8.190 nan 0.000 0.441 1096 A N 2.654 125.558 122.820 0.140 0.000 2.258 1096 A HA 0.775 5.093 4.320 -0.003 0.000 0.316 1096 A C -0.500 177.052 177.584 -0.052 0.000 1.279 1096 A CA -0.554 51.500 52.037 0.028 0.000 0.876 1096 A CB 0.768 19.849 19.000 0.135 0.000 1.170 1096 A HN 1.254 nan 8.150 nan 0.000 0.520 1097 V N 4.314 124.149 119.914 -0.132 0.000 2.370 1097 V HA 0.540 4.659 4.120 -0.003 0.000 0.283 1097 V C 0.318 176.404 176.094 -0.013 0.000 1.023 1097 V CA -0.390 61.867 62.300 -0.071 0.000 0.857 1097 V CB 0.909 32.649 31.823 -0.139 0.000 0.985 1097 V HN 0.924 nan 8.190 nan 0.000 0.443 1098 V N 2.165 122.111 119.914 0.054 0.000 3.113 1098 V HA 0.681 4.799 4.120 -0.003 0.000 0.316 1098 V C -0.195 176.003 176.094 0.174 0.000 1.125 1098 V CA -1.201 61.168 62.300 0.115 0.000 1.026 1098 V CB 1.954 33.799 31.823 0.037 0.000 1.080 1098 V HN 0.693 nan 8.190 nan 0.000 0.444 1099 K N 1.277 121.764 120.400 0.144 0.000 2.202 1099 K HA 0.293 4.612 4.320 -0.003 0.000 0.264 1099 K C -0.117 176.428 176.600 -0.091 0.000 1.010 1099 K CA -0.697 55.585 56.287 -0.009 0.000 0.940 1099 K CB 0.650 33.112 32.500 -0.064 0.000 0.983 1099 K HN 0.615 nan 8.250 nan 0.000 0.475 1100 K N 1.152 121.439 120.400 -0.189 0.000 2.451 1100 K HA 0.007 4.325 4.320 -0.003 0.000 0.280 1100 K C 0.635 177.171 176.600 -0.106 0.000 1.020 1100 K CA 1.035 57.240 56.287 -0.136 0.000 1.008 1100 K CB 0.585 32.996 32.500 -0.149 0.000 0.917 1100 K HN 0.922 nan 8.250 nan 0.000 0.478 1101 G N 2.841 111.594 108.800 -0.079 0.000 3.736 1101 G HA2 -0.178 3.781 3.960 -0.003 0.000 0.196 1101 G HA3 -0.178 3.781 3.960 -0.003 0.000 0.196 1101 G C 0.520 175.397 174.900 -0.037 0.000 1.811 1101 G CA -0.058 45.013 45.100 -0.050 0.000 1.175 1101 G HN 0.860 nan 8.290 nan 0.000 0.429 1102 G N 0.344 109.125 108.800 -0.032 0.000 2.750 1102 G HA2 0.459 4.417 3.960 -0.003 0.000 0.250 1102 G HA3 0.459 4.417 3.960 -0.003 0.000 0.250 1102 G C 1.113 175.958 174.900 -0.092 0.000 1.230 1102 G CA 1.414 46.515 45.100 0.002 0.000 0.883 1102 G HN 1.669 nan 8.290 nan 0.000 0.573 1103 S N -1.211 114.476 115.700 -0.023 0.000 2.733 1103 S HA 0.256 4.724 4.470 -0.003 0.000 0.247 1103 S C 0.410 174.990 174.600 -0.034 0.000 1.043 1103 S CA -0.531 57.640 58.200 -0.048 0.000 1.066 1103 S CB -0.210 62.997 63.200 0.011 0.000 1.045 1103 S HN 0.736 nan 8.310 nan 0.000 0.586 1104 F N 2.526 122.475 119.950 -0.000 0.000 2.459 1104 F HA 0.751 5.276 4.527 -0.003 0.000 0.346 1104 F C 0.280 176.087 175.800 0.011 0.000 1.128 1104 F CA -0.681 57.319 58.000 -0.001 0.000 1.268 1104 F CB 0.446 39.445 39.000 -0.001 0.000 1.161 1104 F HN -0.053 nan 8.300 nan 0.000 0.583 1105 Q N 2.460 122.334 119.800 0.125 0.000 2.333 1105 Q HA 0.286 4.624 4.340 -0.003 0.000 0.266 1105 Q C 0.954 177.052 176.000 0.164 0.000 1.053 1105 Q CA -0.946 54.892 55.803 0.058 0.000 0.890 1105 Q CB 1.450 30.209 28.738 0.035 0.000 1.337 1105 Q HN 0.885 nan 8.270 nan 0.000 0.474 1106 L N 1.984 123.292 121.223 0.142 0.000 2.137 1106 L HA -0.265 4.073 4.340 -0.003 0.000 0.213 1106 L C 1.462 178.422 176.870 0.149 0.000 1.085 1106 L CA 2.545 57.508 54.840 0.205 0.000 0.760 1106 L CB -0.703 41.474 42.059 0.198 0.000 0.893 1106 L HN 0.835 nan 8.230 nan 0.000 0.434 1107 N N -1.902 116.816 118.700 0.029 0.000 2.467 1107 N HA -0.073 4.665 4.740 -0.003 0.000 0.184 1107 N C 0.558 175.881 175.510 -0.312 0.000 1.106 1107 N CA 0.472 53.359 53.050 -0.270 0.000 0.892 1107 N CB -0.087 38.320 38.487 -0.132 0.000 0.969 1107 N HN 0.448 nan 8.380 nan 0.000 0.454 1108 E N 0.400 120.563 120.200 -0.063 0.000 2.939 1108 E HA 0.195 4.543 4.350 -0.003 0.000 0.215 1108 E C 0.389 176.978 176.600 -0.019 0.000 1.025 1108 E CA -0.177 56.194 56.400 -0.050 0.000 1.259 1108 E CB 0.460 30.181 29.700 0.036 0.000 1.228 1108 E HN 0.391 nan 8.360 nan 0.000 0.443 1109 L N 0.185 121.411 121.223 0.004 0.000 2.375 1109 L HA 0.046 4.384 4.340 -0.003 0.000 0.215 1109 L C 1.275 177.913 176.870 -0.388 0.000 1.108 1109 L CA 0.287 55.147 54.840 0.033 0.000 0.830 1109 L CB 0.092 42.387 42.059 0.393 0.000 0.959 1109 L HN 0.290 nan 8.230 nan 0.000 0.457 1110 Q N 0.487 119.844 119.800 -0.738 0.000 2.262 1110 Q HA 0.101 4.440 4.340 -0.003 0.000 0.298 1110 Q C 1.086 176.688 176.000 -0.664 0.000 1.083 1110 Q CA 1.165 56.199 55.803 -1.283 0.000 0.962 1110 Q CB 0.324 28.542 28.738 -0.867 0.000 1.104 1110 Q HN 0.388 nan 8.270 nan 0.000 0.376 1111 G N 2.849 111.296 108.800 -0.589 0.000 2.213 1111 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.236 1111 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.236 1111 G C 0.058 174.874 174.900 -0.141 0.000 0.991 1111 G CA 0.044 44.980 45.100 -0.273 0.000 0.629 1111 G HN 0.532 nan 8.290 nan 0.000 0.517 1112 L N -0.008 121.141 121.223 -0.123 0.000 2.543 1112 L HA 0.571 4.909 4.340 -0.003 0.000 0.231 1112 L C 0.774 177.758 176.870 0.189 0.000 1.194 1112 L CA -0.471 54.353 54.840 -0.027 0.000 0.823 1112 L CB 0.469 42.437 42.059 -0.151 0.000 1.374 1112 L HN 0.081 nan 8.230 nan 0.000 0.507 1113 K N 0.049 120.514 120.400 0.108 0.000 2.221 1113 K HA 0.428 4.747 4.320 -0.003 0.000 0.258 1113 K C -0.924 175.682 176.600 0.010 0.000 0.944 1113 K CA -0.474 55.874 56.287 0.100 0.000 0.823 1113 K CB 1.897 34.427 32.500 0.049 0.000 1.113 1113 K HN 0.598 nan 8.250 nan 0.000 0.431 1114 S N 0.269 115.908 115.700 -0.103 0.000 2.542 1114 S HA 0.567 5.035 4.470 -0.003 0.000 0.293 1114 S C -0.597 173.958 174.600 -0.076 0.000 1.089 1114 S CA -0.863 57.187 58.200 -0.251 0.000 0.961 1114 S CB 0.968 63.712 63.200 -0.759 0.000 1.062 1114 S HN 0.615 nan 8.310 nan 0.000 0.483 1115 c N 3.667 122.174 118.600 -0.154 0.000 2.319 1115 c HA 0.651 5.219 4.570 -0.003 0.000 0.323 1115 c C -0.055 173.998 174.090 -0.061 0.000 1.277 1115 c CA -0.596 55.701 56.329 -0.053 0.000 1.517 1115 c CB -0.711 41.706 42.510 -0.155 0.000 2.206 1115 c HN 0.903 nan 8.230 nan 0.000 0.486 1116 H N 0.985 120.120 119.070 0.110 0.000 2.621 1116 H HA 0.269 4.823 4.556 -0.003 0.000 0.360 1116 H C 0.958 176.335 175.328 0.082 0.000 1.163 1116 H CA -0.109 56.046 56.048 0.177 0.000 1.194 1116 H CB 2.034 31.951 29.762 0.258 0.000 1.649 1116 H HN 0.694 nan 8.280 nan 0.000 0.532 1117 T N -0.184 114.447 114.554 0.128 0.000 2.867 1117 T HA 0.133 4.482 4.350 -0.003 0.000 0.268 1117 T C 0.998 175.634 174.700 -0.107 0.000 1.057 1117 T CA 0.691 62.720 62.100 -0.118 0.000 1.136 1117 T CB 0.158 68.820 68.868 -0.344 0.000 0.874 1117 T HN 0.805 nan 8.240 nan 0.000 0.466 1118 G N 0.324 109.187 108.800 0.105 0.000 2.361 1118 G HA2 0.412 4.370 3.960 -0.003 0.000 0.299 1118 G HA3 0.412 4.370 3.960 -0.003 0.000 0.299 1118 G C -1.692 173.342 174.900 0.224 0.000 1.544 1118 G CA -0.842 44.412 45.100 0.257 0.000 0.860 1118 G HN 0.425 nan 8.290 nan 0.000 0.610 1119 L N 0.649 121.935 121.223 0.105 0.000 2.540 1119 L HA 0.565 4.903 4.340 -0.003 0.000 0.276 1119 L C 1.545 178.203 176.870 -0.353 0.000 1.212 1119 L CA 0.927 55.484 54.840 -0.472 0.000 0.893 1119 L CB 0.095 41.842 42.059 -0.521 0.000 1.138 1119 L HN 0.904 nan 8.230 nan 0.000 0.491 1120 R N 1.262 121.415 120.500 -0.579 0.000 3.989 1120 R HA -0.195 4.143 4.340 -0.003 0.000 0.377 1120 R C -0.084 176.272 176.300 0.093 0.000 1.158 1120 R CA 1.394 57.410 56.100 -0.139 0.000 1.035 1120 R CB -1.362 28.827 30.300 -0.184 0.000 1.557 1120 R HN 0.733 nan 8.270 nan 0.000 0.551 1121 R N -1.043 119.557 120.500 0.166 0.000 2.577 1121 R HA 0.283 4.621 4.340 -0.003 0.000 0.269 1121 R C 1.168 177.586 176.300 0.197 0.000 1.084 1121 R CA 0.183 56.392 56.100 0.181 0.000 1.163 1121 R CB 0.522 30.900 30.300 0.130 0.000 1.100 1121 R HN 0.029 nan 8.270 nan 0.000 0.547 1122 T N 0.861 115.508 114.554 0.156 0.000 2.643 1122 T HA -0.133 4.215 4.350 -0.003 0.000 0.256 1122 T C 1.854 176.597 174.700 0.070 0.000 1.061 1122 T CA 1.442 63.600 62.100 0.096 0.000 1.163 1122 T CB -0.313 68.594 68.868 0.066 0.000 0.865 1122 T HN 0.713 nan 8.240 nan 0.000 0.407 1123 A N 1.315 124.225 122.820 0.151 0.000 1.908 1123 A HA 0.082 4.400 4.320 -0.003 0.000 0.218 1123 A C 2.526 180.220 177.584 0.184 0.000 1.181 1123 A CA 1.934 54.088 52.037 0.194 0.000 0.627 1123 A CB -1.308 17.932 19.000 0.400 0.000 0.818 1123 A HN 0.542 nan 8.150 nan 0.000 0.445 1124 G N -3.363 105.550 108.800 0.188 0.000 2.572 1124 G HA2 0.028 3.987 3.960 -0.003 0.000 0.216 1124 G HA3 0.028 3.987 3.960 -0.003 0.000 0.216 1124 G C 1.140 176.277 174.900 0.395 0.000 1.133 1124 G CA 0.943 46.195 45.100 0.254 0.000 0.791 1124 G HN 0.674 nan 8.290 nan 0.000 0.538 1125 W N -0.674 120.660 121.300 0.057 0.000 5.371 1125 W HA 0.066 4.724 4.660 -0.003 0.000 0.169 1125 W C 1.211 177.689 176.519 -0.068 0.000 1.184 1125 W CA 0.152 57.503 57.345 0.010 0.000 1.946 1125 W CB -0.355 29.102 29.460 -0.005 0.000 0.602 1125 W HN 0.026 nan 8.180 nan 0.000 1.086 1126 N N 1.569 120.347 118.700 0.129 0.000 2.043 1126 N HA -0.149 4.590 4.740 -0.003 0.000 0.193 1126 N C 1.582 177.010 175.510 -0.135 0.000 1.037 1126 N CA 2.313 55.362 53.050 -0.001 0.000 0.851 1126 N CB -0.800 37.754 38.487 0.111 0.000 1.027 1126 N HN 0.008 nan 8.380 nan 0.000 0.422 1127 V N 2.483 122.326 119.914 -0.117 0.000 2.270 1127 V HA -0.116 4.002 4.120 -0.003 0.000 0.245 1127 V C -0.742 175.238 176.094 -0.189 0.000 1.043 1127 V CA 1.696 63.916 62.300 -0.133 0.000 1.014 1127 V CB -1.345 30.400 31.823 -0.130 0.000 0.645 1127 V HN 0.260 nan 8.190 nan 0.000 0.447 1128 P HA -0.142 nan 4.420 nan 0.000 0.215 1128 P C 1.725 178.739 177.300 -0.476 0.000 1.157 1128 P CA 1.655 64.475 63.100 -0.467 0.000 0.868 1128 P CB -0.080 31.003 31.700 -1.027 0.000 0.788 1129 I N -0.644 119.574 120.570 -0.586 0.000 2.617 1129 I HA -0.006 4.162 4.170 -0.003 0.000 0.256 1129 I C 2.496 178.320 176.117 -0.488 0.000 1.167 1129 I CA 1.265 62.165 61.300 -0.668 0.000 1.469 1129 I CB -2.032 35.256 38.000 -1.186 0.000 1.098 1129 I HN -0.003 nan 8.210 nan 0.000 0.436 1130 G N 0.498 109.074 108.800 -0.373 0.000 2.403 1130 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.216 1130 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.216 1130 G C 1.645 176.420 174.900 -0.208 0.000 1.154 1130 G CA 1.057 46.009 45.100 -0.247 0.000 0.784 1130 G HN 0.304 nan 8.290 nan 0.000 0.538 1131 T N 1.293 115.732 114.554 -0.193 0.000 2.821 1131 T HA 0.022 4.370 4.350 -0.003 0.000 0.267 1131 T C 2.147 176.727 174.700 -0.200 0.000 1.046 1131 T CA 0.585 62.599 62.100 -0.144 0.000 1.139 1131 T CB -0.113 68.715 68.868 -0.065 0.000 0.871 1131 T HN 0.141 nan 8.240 nan 0.000 0.454 1132 L N 0.880 121.964 121.223 -0.232 0.000 2.591 1132 L HA 0.236 4.574 4.340 -0.003 0.000 0.228 1132 L C 2.453 179.096 176.870 -0.379 0.000 1.133 1132 L CA -0.110 54.584 54.840 -0.244 0.000 0.880 1132 L CB -0.285 41.619 42.059 -0.258 0.000 1.033 1132 L HN 0.075 nan 8.230 nan 0.000 0.450 1133 R N 2.200 122.502 120.500 -0.331 0.000 2.133 1133 R HA -0.175 4.164 4.340 -0.003 0.000 0.245 1133 R C -0.621 175.537 176.300 -0.236 0.000 1.137 1133 R CA 2.200 58.159 56.100 -0.235 0.000 0.947 1133 R CB -1.761 28.455 30.300 -0.140 0.000 0.865 1133 R HN 0.175 nan 8.270 nan 0.000 0.437 1134 P HA -0.134 nan 4.420 nan 0.000 0.218 1134 P C 0.664 177.801 177.300 -0.272 0.000 1.148 1134 P CA 1.333 64.214 63.100 -0.365 0.000 0.822 1134 P CB -0.198 31.186 31.700 -0.527 0.000 0.784 1135 F N -1.229 118.674 119.950 -0.078 0.000 2.789 1135 F HA 0.139 4.664 4.527 -0.003 0.000 0.300 1135 F C 2.236 178.016 175.800 -0.033 0.000 1.132 1135 F CA 0.180 58.164 58.000 -0.027 0.000 1.404 1135 F CB -1.100 37.904 39.000 0.008 0.000 1.114 1135 F HN -0.179 nan 8.300 nan 0.000 0.584 1136 L N -0.353 120.868 121.223 -0.003 0.000 2.558 1136 L HA 0.008 4.346 4.340 -0.003 0.000 0.225 1136 L C 0.459 177.398 176.870 0.115 0.000 1.128 1136 L CA 0.381 55.187 54.840 -0.056 0.000 0.868 1136 L CB -0.498 41.452 42.059 -0.181 0.000 1.006 1136 L HN 0.197 nan 8.230 nan 0.000 0.454 1137 N N -0.950 117.835 118.700 0.141 0.000 2.747 1137 N HA -0.240 4.498 4.740 -0.003 0.000 0.249 1137 N C -0.824 174.809 175.510 0.205 0.000 1.107 1137 N CA 0.341 53.481 53.050 0.150 0.000 0.707 1137 N CB -0.899 37.679 38.487 0.153 0.000 1.054 1137 N HN 0.419 nan 8.380 nan 0.000 0.555 1138 W N 0.899 122.186 121.300 -0.020 0.000 2.291 1138 W HA 0.489 5.148 4.660 -0.003 0.000 0.312 1138 W C 1.318 177.824 176.519 -0.021 0.000 1.061 1138 W CA -0.565 56.766 57.345 -0.023 0.000 1.296 1138 W CB 0.199 29.627 29.460 -0.053 0.000 1.223 1138 W HN 0.011 nan 8.180 nan 0.000 0.421 1139 T N 3.392 117.815 114.554 -0.218 0.000 2.536 1139 T HA 0.082 4.430 4.350 -0.003 0.000 0.263 1139 T C 0.658 174.924 174.700 -0.723 0.000 1.115 1139 T CA 2.557 64.446 62.100 -0.352 0.000 1.180 1139 T CB -0.750 67.993 68.868 -0.208 0.000 0.864 1139 T HN 0.743 nan 8.240 nan 0.000 0.419 1140 G N -1.084 106.953 108.800 -1.271 0.000 2.321 1140 G HA2 0.329 4.287 3.960 -0.003 0.000 0.298 1140 G HA3 0.329 4.287 3.960 -0.003 0.000 0.298 1140 G C -2.677 171.693 174.900 -0.884 0.000 1.385 1140 G CA -0.542 43.679 45.100 -1.464 0.000 0.856 1140 G HN -0.110 nan 8.290 nan 0.000 0.584 1141 P HA -0.094 nan 4.420 nan 0.000 0.219 1141 P C -1.042 176.334 177.300 0.127 0.000 1.153 1141 P CA 2.095 65.287 63.100 0.153 0.000 0.865 1141 P CB -0.492 31.259 31.700 0.085 0.000 0.788 1142 P HA -0.201 nan 4.420 nan 0.000 0.226 1142 P C 0.382 177.740 177.300 0.097 0.000 1.154 1142 P CA 1.732 64.845 63.100 0.022 0.000 0.901 1142 P CB -0.410 31.260 31.700 -0.051 0.000 0.788 1143 E N -0.905 119.391 120.200 0.161 0.000 2.221 1143 E HA 0.456 4.805 4.350 -0.003 0.000 0.268 1143 E C -2.807 174.104 176.600 0.518 0.000 0.933 1143 E CA -2.884 53.692 56.400 0.294 0.000 0.809 1143 E CB 1.397 31.257 29.700 0.266 0.000 1.190 1143 E HN -0.059 nan 8.360 nan 0.000 0.406 1144 P HA 0.106 nan 4.420 nan 0.000 0.285 1144 P C 0.945 178.212 177.300 -0.056 0.000 1.259 1144 P CA -0.373 62.838 63.100 0.185 0.000 0.794 1144 P CB 0.853 32.662 31.700 0.182 0.000 0.940 1145 I N 1.224 121.576 120.570 -0.363 0.000 2.335 1145 I HA -0.263 3.905 4.170 -0.003 0.000 0.251 1145 I C 1.536 177.381 176.117 -0.453 0.000 1.129 1145 I CA 1.581 62.387 61.300 -0.822 0.000 1.402 1145 I CB -1.290 36.215 38.000 -0.826 0.000 1.069 1145 I HN 0.276 nan 8.210 nan 0.000 0.424 1146 E N 1.963 121.904 120.200 -0.432 0.000 2.097 1146 E HA -0.195 4.154 4.350 -0.003 0.000 0.196 1146 E C 2.428 178.678 176.600 -0.583 0.000 1.000 1146 E CA 1.804 57.813 56.400 -0.652 0.000 0.804 1146 E CB -0.424 28.376 29.700 -1.501 0.000 0.740 1146 E HN 0.583 nan 8.360 nan 0.000 0.454 1147 A N 0.972 123.538 122.820 -0.423 0.000 1.892 1147 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 1147 A C 2.369 179.998 177.584 0.075 0.000 1.188 1147 A CA 2.226 54.306 52.037 0.072 0.000 0.631 1147 A CB -0.963 18.190 19.000 0.256 0.000 0.822 1147 A HN 0.316 nan 8.150 nan 0.000 0.447 1148 A N -0.799 122.023 122.820 0.003 0.000 1.854 1148 A HA 0.071 4.389 4.320 -0.003 0.000 0.214 1148 A C 2.220 179.832 177.584 0.047 0.000 1.192 1148 A CA 1.592 53.657 52.037 0.045 0.000 0.611 1148 A CB -1.040 17.970 19.000 0.016 0.000 0.832 1148 A HN 0.420 nan 8.150 nan 0.000 0.442 1149 V N 0.218 120.107 119.914 -0.042 0.000 2.324 1149 V HA -0.323 3.795 4.120 -0.003 0.000 0.250 1149 V C 3.022 179.268 176.094 0.253 0.000 1.060 1149 V CA 2.125 64.473 62.300 0.080 0.000 1.042 1149 V CB -1.276 30.564 31.823 0.029 0.000 0.650 1149 V HN 0.614 nan 8.190 nan 0.000 0.450 1150 A N -0.801 122.122 122.820 0.171 0.000 2.019 1150 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 1150 A C 2.344 180.054 177.584 0.211 0.000 1.164 1150 A CA 1.579 53.746 52.037 0.217 0.000 0.644 1150 A CB -0.484 18.647 19.000 0.218 0.000 0.805 1150 A HN 0.498 nan 8.150 nan 0.000 0.449 1151 R N -2.675 117.936 120.500 0.186 0.000 2.310 1151 R HA 0.181 4.519 4.340 -0.003 0.000 0.202 1151 R C 1.328 177.721 176.300 0.155 0.000 0.933 1151 R CA 0.391 56.584 56.100 0.156 0.000 1.054 1151 R CB -0.064 30.322 30.300 0.144 0.000 0.985 1151 R HN 0.645 nan 8.270 nan 0.000 0.489 1152 F N -0.435 119.516 119.950 0.002 0.000 2.399 1152 F HA 0.248 4.773 4.527 -0.003 0.000 0.282 1152 F C 0.033 175.709 175.800 -0.206 0.000 1.027 1152 F CA 0.026 57.939 58.000 -0.145 0.000 1.333 1152 F CB 0.265 39.105 39.000 -0.266 0.000 1.132 1152 F HN -0.285 nan 8.300 nan 0.000 0.590 1153 F N 1.249 121.327 119.950 0.214 0.000 2.389 1153 F HA 0.199 4.724 4.527 -0.003 0.000 0.337 1153 F C 1.886 177.715 175.800 0.048 0.000 1.112 1153 F CA 0.118 58.173 58.000 0.092 0.000 1.192 1153 F CB 0.927 40.066 39.000 0.232 0.000 1.185 1153 F HN 0.007 nan 8.300 nan 0.000 0.552 1154 S N 1.086 116.893 115.700 0.178 0.000 2.423 1154 S HA 0.340 4.808 4.470 -0.003 0.000 0.231 1154 S C 0.542 175.227 174.600 0.142 0.000 1.014 1154 S CA 0.459 58.723 58.200 0.107 0.000 0.965 1154 S CB -0.211 63.018 63.200 0.048 0.000 0.785 1154 S HN 0.840 nan 8.310 nan 0.000 0.495 1155 A N -0.147 122.785 122.820 0.187 0.000 2.594 1155 A HA 0.704 5.022 4.320 -0.003 0.000 0.296 1155 A C -0.804 176.875 177.584 0.158 0.000 1.056 1155 A CA -0.656 51.475 52.037 0.157 0.000 0.693 1155 A CB 1.098 20.164 19.000 0.110 0.000 1.278 1155 A HN 0.335 nan 8.150 nan 0.000 0.408 1156 S N -0.639 115.147 115.700 0.143 0.000 2.607 1156 S HA 0.646 5.114 4.470 -0.003 0.000 0.273 1156 S C -1.056 173.633 174.600 0.147 0.000 1.148 1156 S CA -0.562 57.713 58.200 0.125 0.000 0.833 1156 S CB 1.498 64.765 63.200 0.111 0.000 1.130 1156 S HN 1.623 nan 8.310 nan 0.000 0.470 1157 c N 2.482 121.190 118.600 0.180 0.000 2.264 1157 c HA 0.779 5.347 4.570 -0.003 0.000 0.324 1157 c C -0.619 173.601 174.090 0.216 0.000 1.267 1157 c CA -0.114 56.335 56.329 0.201 0.000 1.618 1157 c CB -1.136 41.534 42.510 0.267 0.000 2.278 1157 c HN 0.643 nan 8.230 nan 0.000 0.499 1158 V N 8.824 128.822 119.914 0.140 0.000 2.383 1158 V HA 0.297 4.415 4.120 -0.003 0.000 0.264 1158 V C -2.231 173.920 176.094 0.096 0.000 1.001 1158 V CA -1.217 61.132 62.300 0.081 0.000 0.828 1158 V CB 0.974 32.742 31.823 -0.091 0.000 1.069 1158 V HN 0.748 nan 8.190 nan 0.000 0.451 1159 P HA 0.210 nan 4.420 nan 0.000 0.261 1159 P C 1.144 178.657 177.300 0.355 0.000 1.183 1159 P CA 1.630 64.872 63.100 0.237 0.000 0.761 1159 P CB 0.647 32.527 31.700 0.301 0.000 0.785 1160 G N 1.866 110.815 108.800 0.248 0.000 2.194 1160 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.236 1160 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.236 1160 G C 0.428 175.314 174.900 -0.023 0.000 0.987 1160 G CA -0.045 45.139 45.100 0.141 0.000 0.635 1160 G HN 0.835 nan 8.290 nan 0.000 0.520 1161 A N 0.306 123.114 122.820 -0.020 0.000 2.386 1161 A HA 0.489 4.807 4.320 -0.003 0.000 0.248 1161 A C 0.410 178.029 177.584 0.058 0.000 1.082 1161 A CA 0.563 52.582 52.037 -0.031 0.000 0.789 1161 A CB 0.317 19.295 19.000 -0.036 0.000 1.025 1161 A HN 0.370 nan 8.150 nan 0.000 0.490 1162 D N 1.482 121.968 120.400 0.143 0.000 2.367 1162 D HA 0.035 4.674 4.640 -0.003 0.000 0.255 1162 D C 1.255 177.604 176.300 0.082 0.000 1.300 1162 D CA -0.028 54.038 54.000 0.109 0.000 0.959 1162 D CB 0.481 41.352 40.800 0.118 0.000 1.064 1162 D HN 0.557 nan 8.370 nan 0.000 0.509 1163 K N 2.199 122.625 120.400 0.042 0.000 2.362 1163 K HA -0.069 4.249 4.320 -0.003 0.000 0.200 1163 K C 1.684 178.273 176.600 -0.017 0.000 1.046 1163 K CA 0.658 56.964 56.287 0.033 0.000 0.952 1163 K CB -0.069 32.447 32.500 0.026 0.000 0.753 1163 K HN 0.316 nan 8.250 nan 0.000 0.466 1164 G N 1.955 110.721 108.800 -0.057 0.000 2.484 1164 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.215 1164 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.215 1164 G C 1.485 176.268 174.900 -0.194 0.000 1.219 1164 G CA 0.405 45.445 45.100 -0.101 0.000 0.791 1164 G HN 0.321 nan 8.290 nan 0.000 0.550 1165 Q N -0.884 118.688 119.800 -0.380 0.000 2.137 1165 Q HA 0.086 4.424 4.340 -0.003 0.000 0.198 1165 Q C 0.205 175.716 176.000 -0.815 0.000 0.960 1165 Q CA 0.593 55.925 55.803 -0.784 0.000 0.847 1165 Q CB 0.188 28.091 28.738 -1.392 0.000 0.915 1165 Q HN 0.535 nan 8.270 nan 0.000 0.448 1166 F N -0.234 119.728 119.950 0.020 0.000 2.597 1166 F HA 0.287 4.812 4.527 -0.003 0.000 0.336 1166 F C -1.872 173.950 175.800 0.037 0.000 1.432 1166 F CA -2.251 55.769 58.000 0.034 0.000 1.120 1166 F CB 0.871 39.891 39.000 0.032 0.000 1.253 1166 F HN -0.052 nan 8.300 nan 0.000 0.546 1167 P HA -0.189 nan 4.420 nan 0.000 0.218 1167 P C 1.030 178.401 177.300 0.118 0.000 1.148 1167 P CA 1.500 64.656 63.100 0.093 0.000 0.822 1167 P CB 0.355 32.087 31.700 0.053 0.000 0.784 1168 N N -0.118 118.668 118.700 0.144 0.000 2.094 1168 N HA -0.125 4.613 4.740 -0.003 0.000 0.191 1168 N C 1.726 177.327 175.510 0.151 0.000 1.023 1168 N CA 1.028 54.165 53.050 0.145 0.000 0.857 1168 N CB -0.722 37.864 38.487 0.166 0.000 1.013 1168 N HN 0.127 nan 8.380 nan 0.000 0.426 1169 L N -0.812 120.511 121.223 0.167 0.000 2.456 1169 L HA -0.076 4.263 4.340 -0.003 0.000 0.224 1169 L C 1.009 177.950 176.870 0.117 0.000 1.148 1169 L CA 0.345 55.267 54.840 0.137 0.000 0.825 1169 L CB -0.137 41.990 42.059 0.113 0.000 0.937 1169 L HN 0.393 nan 8.230 nan 0.000 0.450 1170 c N -1.475 117.194 118.600 0.115 0.000 3.183 1170 c HA 0.138 4.707 4.570 -0.003 0.000 0.285 1170 c C 2.547 176.695 174.090 0.096 0.000 1.313 1170 c CA -0.575 55.814 56.329 0.100 0.000 1.711 1170 c CB -0.320 42.239 42.510 0.081 0.000 2.135 1170 c HN 0.392 nan 8.230 nan 0.000 0.651 1171 R N 1.424 121.984 120.500 0.101 0.000 2.105 1171 R HA -0.059 4.279 4.340 -0.003 0.000 0.239 1171 R C 1.361 177.719 176.300 0.097 0.000 1.135 1171 R CA 1.248 57.401 56.100 0.088 0.000 0.967 1171 R CB -0.301 30.052 30.300 0.089 0.000 0.861 1171 R HN 0.541 nan 8.270 nan 0.000 0.442 1172 L N -0.279 121.023 121.223 0.133 0.000 2.607 1172 L HA 0.189 4.527 4.340 -0.003 0.000 0.228 1172 L C 0.687 177.709 176.870 0.253 0.000 1.123 1172 L CA -0.527 54.420 54.840 0.179 0.000 0.890 1172 L CB -0.007 42.161 42.059 0.182 0.000 1.103 1172 L HN -0.003 nan 8.230 nan 0.000 0.468 1173 c N 1.110 119.815 118.600 0.175 0.000 2.676 1173 c HA 0.349 4.918 4.570 -0.003 0.000 0.416 1173 c C 1.812 175.841 174.090 -0.102 0.000 1.299 1173 c CA 0.152 56.553 56.329 0.119 0.000 2.048 1173 c CB 0.927 43.494 42.510 0.095 0.000 2.713 1173 c HN 0.594 nan 8.230 nan 0.000 0.624 1174 A N 1.895 124.496 122.820 -0.365 0.000 2.343 1174 A HA 0.431 4.749 4.320 -0.003 0.000 0.223 1174 A C 1.239 178.674 177.584 -0.247 0.000 1.214 1174 A CA 0.586 52.344 52.037 -0.465 0.000 0.900 1174 A CB -0.541 17.863 19.000 -0.993 0.000 0.942 1174 A HN 1.080 nan 8.150 nan 0.000 0.507 1175 G N 0.064 108.765 108.800 -0.165 0.000 2.562 1175 G HA2 0.341 4.299 3.960 -0.003 0.000 0.233 1175 G HA3 0.341 4.299 3.960 -0.003 0.000 0.233 1175 G C -0.061 174.791 174.900 -0.080 0.000 1.266 1175 G CA 0.439 45.477 45.100 -0.102 0.000 0.852 1175 G HN 0.155 nan 8.290 nan 0.000 0.581 1176 T N 1.386 115.901 114.554 -0.065 0.000 2.806 1176 T HA 0.523 4.872 4.350 -0.003 0.000 0.290 1176 T C 1.351 176.028 174.700 -0.037 0.000 0.966 1176 T CA 0.935 63.006 62.100 -0.049 0.000 1.060 1176 T CB 0.941 69.783 68.868 -0.044 0.000 0.927 1176 T HN 1.618 nan 8.240 nan 0.000 0.485 1177 G N 3.832 112.614 108.800 -0.030 0.000 2.634 1177 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.318 1177 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.318 1177 G C 0.960 175.847 174.900 -0.021 0.000 1.207 1177 G CA 0.783 45.870 45.100 -0.023 0.000 0.987 1177 G HN 0.872 nan 8.290 nan 0.000 0.547 1178 E N 1.044 121.232 120.200 -0.022 0.000 2.435 1178 E HA 0.065 4.414 4.350 -0.003 0.000 0.195 1178 E C 1.576 178.161 176.600 -0.025 0.000 1.029 1178 E CA 0.796 57.184 56.400 -0.020 0.000 0.865 1178 E CB -0.145 29.544 29.700 -0.019 0.000 0.833 1178 E HN 0.436 nan 8.360 nan 0.000 0.510 1179 N N 1.525 120.205 118.700 -0.032 0.000 2.521 1179 N HA -0.037 4.701 4.740 -0.003 0.000 0.188 1179 N C 0.079 175.564 175.510 -0.041 0.000 1.146 1179 N CA 0.351 53.375 53.050 -0.043 0.000 0.893 1179 N CB 0.079 38.535 38.487 -0.052 0.000 0.975 1179 N HN 0.175 nan 8.380 nan 0.000 0.451 1180 K N 0.660 121.041 120.400 -0.031 0.000 2.416 1180 K HA -0.016 4.302 4.320 -0.003 0.000 0.283 1180 K C 0.345 176.945 176.600 -0.001 0.000 1.037 1180 K CA 0.205 56.478 56.287 -0.022 0.000 0.995 1180 K CB 0.340 32.830 32.500 -0.016 0.000 0.938 1180 K HN 0.204 nan 8.250 nan 0.000 0.475 1181 c N 2.427 121.036 118.600 0.015 0.000 4.465 1181 c HA -0.200 4.368 4.570 -0.003 0.000 0.274 1181 c C 0.550 174.665 174.090 0.041 0.000 1.337 1181 c CA 0.314 56.672 56.329 0.048 0.000 1.822 1181 c CB -2.207 40.334 42.510 0.052 0.000 1.357 1181 c HN 0.901 nan 8.230 nan 0.000 0.753 1182 A N -0.171 122.645 122.820 -0.006 0.000 2.425 1182 A HA 0.517 4.835 4.320 -0.003 0.000 0.249 1182 A C -0.134 177.394 177.584 -0.093 0.000 1.084 1182 A CA 0.142 52.156 52.037 -0.040 0.000 0.781 1182 A CB -0.017 18.930 19.000 -0.089 0.000 1.019 1182 A HN 0.942 nan 8.150 nan 0.000 0.490 1183 F N 3.256 123.066 119.950 -0.234 0.000 2.666 1183 F HA 0.363 4.888 4.527 -0.003 0.000 0.362 1183 F C 0.905 176.200 175.800 -0.842 0.000 1.190 1183 F CA 0.918 58.694 58.000 -0.372 0.000 1.328 1183 F CB -0.487 38.425 39.000 -0.148 0.000 1.682 1183 F HN 0.679 nan 8.300 nan 0.000 0.623 1184 S N -1.123 113.751 115.700 -1.376 0.000 2.615 1184 S HA 0.186 4.654 4.470 -0.003 0.000 0.268 1184 S C 0.629 174.748 174.600 -0.801 0.000 1.146 1184 S CA -0.246 57.296 58.200 -1.095 0.000 0.818 1184 S CB 0.654 63.604 63.200 -0.417 0.000 1.111 1184 S HN 0.191 nan 8.310 nan 0.000 0.465 1185 S N 0.171 115.668 115.700 -0.338 0.000 2.507 1185 S HA -0.097 4.372 4.470 -0.003 0.000 0.235 1185 S C 1.189 175.750 174.600 -0.066 0.000 0.988 1185 S CA 0.758 58.925 58.200 -0.054 0.000 0.944 1185 S CB -0.597 62.614 63.200 0.018 0.000 0.762 1185 S HN 0.634 nan 8.310 nan 0.000 0.526 1186 Q N 0.742 120.469 119.800 -0.122 0.000 2.488 1186 Q HA 0.135 4.474 4.340 -0.003 0.000 0.211 1186 Q C 0.332 176.283 176.000 -0.083 0.000 0.967 1186 Q CA 0.722 56.473 55.803 -0.087 0.000 0.926 1186 Q CB -0.207 28.479 28.738 -0.087 0.000 0.992 1186 Q HN 0.845 nan 8.270 nan 0.000 0.506 1187 E N 0.910 121.056 120.200 -0.091 0.000 2.129 1187 E HA 0.188 4.537 4.350 -0.003 0.000 0.268 1187 E C -2.190 174.425 176.600 0.026 0.000 0.900 1187 E CA -2.321 54.050 56.400 -0.048 0.000 0.755 1187 E CB 1.493 31.172 29.700 -0.035 0.000 1.117 1187 E HN -0.213 nan 8.360 nan 0.000 0.410 1188 P HA -0.088 nan 4.420 nan 0.000 0.226 1188 P C -0.142 177.297 177.300 0.232 0.000 1.153 1188 P CA 0.792 63.907 63.100 0.024 0.000 0.777 1188 P CB 0.111 31.742 31.700 -0.115 0.000 0.794 1189 Y N -1.660 118.680 120.300 0.066 0.000 2.583 1189 Y HA 0.298 4.846 4.550 -0.003 0.000 0.294 1189 Y C 0.558 176.513 175.900 0.091 0.000 1.170 1189 Y CA -2.015 56.123 58.100 0.063 0.000 1.265 1189 Y CB -1.234 37.260 38.460 0.056 0.000 1.119 1189 Y HN -0.087 nan 8.280 nan 0.000 0.522 1190 F N -0.069 119.924 119.950 0.071 0.000 2.379 1190 F HA 0.528 5.053 4.527 -0.003 0.000 0.332 1190 F C 1.024 176.762 175.800 -0.104 0.000 1.096 1190 F CA -0.140 57.818 58.000 -0.070 0.000 1.105 1190 F CB 0.906 39.816 39.000 -0.150 0.000 1.189 1190 F HN 0.017 nan 8.300 nan 0.000 0.515 1191 S N 3.166 118.182 115.700 -1.141 0.000 3.443 1191 S HA -0.311 4.157 4.470 -0.003 0.000 0.635 1191 S C 0.648 174.960 174.600 -0.481 0.000 2.555 1191 S CA 0.713 58.289 58.200 -1.040 0.000 2.778 1191 S CB -1.185 61.400 63.200 -1.026 0.000 0.331 1191 S HN 0.803 nan 8.310 nan 0.000 1.765 1192 Y N 0.962 121.102 120.300 -0.266 0.000 2.163 1192 Y HA -0.039 4.510 4.550 -0.002 0.000 0.288 1192 Y C 2.960 178.813 175.900 -0.078 0.000 1.136 1192 Y CA 1.802 59.804 58.100 -0.163 0.000 1.147 1192 Y CB -0.972 37.378 38.460 -0.184 0.000 0.987 1192 Y HN 0.485 nan 8.280 nan 0.000 0.509 1193 S N -0.272 115.493 115.700 0.109 0.000 2.355 1193 S HA -0.147 4.322 4.470 -0.003 0.000 0.222 1193 S C 2.424 177.079 174.600 0.092 0.000 1.031 1193 S CA 1.108 59.376 58.200 0.113 0.000 0.993 1193 S CB -1.070 62.175 63.200 0.075 0.000 0.859 1193 S HN 0.640 nan 8.310 nan 0.000 0.453 1194 G N 1.644 110.481 108.800 0.061 0.000 2.553 1194 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.218 1194 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.218 1194 G C 1.569 176.481 174.900 0.020 0.000 1.195 1194 G CA 1.167 46.336 45.100 0.115 0.000 0.779 1194 G HN 0.604 nan 8.290 nan 0.000 0.577 1195 A N -0.342 122.472 122.820 -0.010 0.000 1.969 1195 A HA 0.140 4.459 4.320 -0.003 0.000 0.218 1195 A C 2.168 179.717 177.584 -0.059 0.000 1.169 1195 A CA 1.576 53.574 52.037 -0.065 0.000 0.635 1195 A CB -0.437 18.555 19.000 -0.013 0.000 0.810 1195 A HN 0.377 nan 8.150 nan 0.000 0.445 1196 F N 0.844 120.693 119.950 -0.168 0.000 2.163 1196 F HA -0.023 4.502 4.527 -0.003 0.000 0.297 1196 F C 2.045 177.718 175.800 -0.212 0.000 1.094 1196 F CA 1.662 59.542 58.000 -0.199 0.000 1.290 1196 F CB -0.480 38.411 39.000 -0.180 0.000 1.017 1196 F HN 0.254 nan 8.300 nan 0.000 0.483 1197 K N -0.306 119.942 120.400 -0.253 0.000 2.152 1197 K HA -0.224 4.095 4.320 -0.003 0.000 0.206 1197 K C 2.461 178.832 176.600 -0.382 0.000 1.048 1197 K CA 1.580 57.688 56.287 -0.299 0.000 0.933 1197 K CB -0.796 31.670 32.500 -0.056 0.000 0.721 1197 K HN 0.438 nan 8.250 nan 0.000 0.447 1198 c N 0.407 118.605 118.600 -0.670 0.000 2.425 1198 c HA -0.041 4.527 4.570 -0.003 0.000 0.277 1198 c C 2.388 176.215 174.090 -0.438 0.000 1.280 1198 c CA 0.639 56.336 56.329 -1.054 0.000 1.744 1198 c CB -0.983 40.816 42.510 -1.185 0.000 1.989 1198 c HN 0.678 nan 8.230 nan 0.000 0.491 1199 L N 1.571 122.623 121.223 -0.286 0.000 2.007 1199 L HA 0.043 4.382 4.340 -0.003 0.000 0.205 1199 L C 2.748 179.554 176.870 -0.107 0.000 1.073 1199 L CA 1.884 56.646 54.840 -0.131 0.000 0.744 1199 L CB -1.155 40.894 42.059 -0.016 0.000 0.898 1199 L HN 0.251 nan 8.230 nan 0.000 0.435 1200 R N -0.299 120.047 120.500 -0.257 0.000 2.139 1200 R HA -0.185 4.154 4.340 -0.003 0.000 0.243 1200 R C 1.486 177.738 176.300 -0.080 0.000 1.145 1200 R CA 1.544 57.540 56.100 -0.174 0.000 0.976 1200 R CB -0.464 29.594 30.300 -0.402 0.000 0.866 1200 R HN 0.446 nan 8.270 nan 0.000 0.449 1201 D N -1.273 119.070 120.400 -0.094 0.000 2.363 1201 D HA 0.040 4.679 4.640 -0.003 0.000 0.226 1201 D C 1.179 177.483 176.300 0.006 0.000 1.020 1201 D CA 0.978 54.970 54.000 -0.014 0.000 0.892 1201 D CB 0.312 41.152 40.800 0.067 0.000 0.900 1201 D HN 0.447 nan 8.370 nan 0.000 0.531 1202 G N 0.304 109.099 108.800 -0.009 0.000 2.212 1202 G HA2 -0.396 3.562 3.960 -0.003 0.000 0.266 1202 G HA3 -0.396 3.562 3.960 -0.003 0.000 0.266 1202 G C 1.432 176.340 174.900 0.014 0.000 0.978 1202 G CA 0.837 45.942 45.100 0.008 0.000 0.632 1202 G HN 0.506 nan 8.290 nan 0.000 0.537 1203 A N -0.013 122.817 122.820 0.016 0.000 1.892 1203 A HA 0.409 4.728 4.320 -0.003 0.000 0.218 1203 A C 1.862 179.453 177.584 0.011 0.000 1.188 1203 A CA 2.478 54.541 52.037 0.044 0.000 0.631 1203 A CB -0.481 18.581 19.000 0.104 0.000 0.822 1203 A HN 2.015 nan 8.150 nan 0.000 0.447 1204 G N -2.539 106.239 108.800 -0.037 0.000 2.511 1204 G HA2 0.473 4.431 3.960 -0.003 0.000 0.318 1204 G HA3 0.473 4.431 3.960 -0.003 0.000 0.318 1204 G C -0.504 174.385 174.900 -0.017 0.000 1.210 1204 G CA -0.000 45.078 45.100 -0.036 0.000 0.969 1204 G HN 0.068 nan 8.290 nan 0.000 0.484 1205 D N -1.090 119.303 120.400 -0.011 0.000 2.346 1205 D HA 0.080 4.719 4.640 -0.003 0.000 0.206 1205 D C 0.315 176.676 176.300 0.102 0.000 1.001 1205 D CA 0.628 54.652 54.000 0.040 0.000 0.871 1205 D CB 1.571 42.328 40.800 -0.071 0.000 0.943 1205 D HN 0.151 nan 8.370 nan 0.000 0.518 1206 V N 0.135 120.026 119.914 -0.039 0.000 2.891 1206 V HA 0.628 4.746 4.120 -0.003 0.000 0.304 1206 V C -1.859 173.992 176.094 -0.406 0.000 1.171 1206 V CA -0.787 61.402 62.300 -0.185 0.000 0.943 1206 V CB 1.976 33.655 31.823 -0.241 0.000 1.037 1206 V HN 0.034 nan 8.190 nan 0.000 0.427 1207 A N 5.976 128.556 122.820 -0.400 0.000 2.318 1207 A HA 0.868 5.186 4.320 -0.003 0.000 0.317 1207 A C -1.186 176.122 177.584 -0.459 0.000 1.159 1207 A CA -0.366 51.455 52.037 -0.359 0.000 0.799 1207 A CB 0.813 19.756 19.000 -0.096 0.000 1.194 1207 A HN 0.778 nan 8.150 nan 0.000 0.479 1208 F N 3.935 123.798 119.950 -0.145 0.000 2.334 1208 F HA 0.484 5.009 4.527 -0.003 0.000 0.365 1208 F C 0.648 176.447 175.800 -0.001 0.000 1.124 1208 F CA -0.262 57.689 58.000 -0.082 0.000 1.166 1208 F CB 0.290 39.202 39.000 -0.147 0.000 1.355 1208 F HN 0.594 nan 8.300 nan 0.000 0.532 1209 I N 0.237 120.899 120.570 0.153 0.000 3.567 1209 I HA 0.761 4.929 4.170 -0.003 0.000 0.302 1209 I C -0.915 175.295 176.117 0.154 0.000 1.158 1209 I CA -1.777 59.630 61.300 0.178 0.000 1.027 1209 I CB 2.276 40.304 38.000 0.048 0.000 1.363 1209 I HN 0.322 nan 8.210 nan 0.000 0.480 1210 R N 0.318 120.830 120.500 0.020 0.000 2.668 1210 R HA 0.349 4.688 4.340 -0.003 0.000 0.279 1210 R C 0.831 177.014 176.300 -0.194 0.000 0.976 1210 R CA -0.469 55.586 56.100 -0.075 0.000 0.978 1210 R CB 1.237 31.327 30.300 -0.350 0.000 1.133 1210 R HN 0.725 nan 8.270 nan 0.000 0.484 1211 E N 1.714 121.835 120.200 -0.131 0.000 2.160 1211 E HA -0.236 4.112 4.350 -0.003 0.000 0.195 1211 E C 0.886 177.360 176.600 -0.210 0.000 0.991 1211 E CA 2.241 58.499 56.400 -0.236 0.000 0.810 1211 E CB -0.226 29.127 29.700 -0.578 0.000 0.742 1211 E HN 0.741 nan 8.360 nan 0.000 0.466 1212 S N 0.060 115.603 115.700 -0.261 0.000 2.428 1212 S HA -0.057 4.411 4.470 -0.003 0.000 0.230 1212 S C 2.011 176.524 174.600 -0.144 0.000 1.014 1212 S CA 1.235 59.325 58.200 -0.184 0.000 0.957 1212 S CB -0.631 62.416 63.200 -0.256 0.000 0.784 1212 S HN 0.260 nan 8.310 nan 0.000 0.499 1213 T N 2.545 116.926 114.554 -0.288 0.000 2.881 1213 T HA -0.023 4.325 4.350 -0.003 0.000 0.270 1213 T C 1.837 176.346 174.700 -0.320 0.000 1.068 1213 T CA 1.346 63.273 62.100 -0.289 0.000 1.131 1213 T CB -0.514 68.156 68.868 -0.331 0.000 0.871 1213 T HN 0.372 nan 8.240 nan 0.000 0.479 1214 V N 0.748 120.381 119.914 -0.468 0.000 2.270 1214 V HA -0.080 4.038 4.120 -0.003 0.000 0.245 1214 V C 2.015 177.889 176.094 -0.367 0.000 1.043 1214 V CA 1.570 63.482 62.300 -0.647 0.000 1.014 1214 V CB -0.934 30.375 31.823 -0.857 0.000 0.645 1214 V HN 0.414 nan 8.190 nan 0.000 0.447 1215 F N 0.437 120.300 119.950 -0.144 0.000 2.502 1215 F HA 0.010 4.536 4.527 -0.001 0.000 0.298 1215 F C 2.349 178.117 175.800 -0.054 0.000 1.111 1215 F CA 1.054 59.015 58.000 -0.066 0.000 1.445 1215 F CB -0.491 38.474 39.000 -0.059 0.000 1.081 1215 F HN 0.180 nan 8.300 nan 0.000 0.558 1216 E N -0.099 120.151 120.200 0.083 0.000 2.140 1216 E HA -0.101 4.248 4.350 -0.003 0.000 0.191 1216 E C 1.334 177.953 176.600 0.032 0.000 0.973 1216 E CA 0.764 57.184 56.400 0.034 0.000 0.829 1216 E CB 0.056 29.742 29.700 -0.023 0.000 0.781 1216 E HN 0.203 nan 8.360 nan 0.000 0.466 1217 D N -0.026 120.399 120.400 0.043 0.000 2.305 1217 D HA 0.040 4.679 4.640 -0.003 0.000 0.206 1217 D C 0.115 176.465 176.300 0.082 0.000 0.974 1217 D CA 0.410 54.460 54.000 0.083 0.000 0.871 1217 D CB 0.379 41.288 40.800 0.181 0.000 0.947 1217 D HN 0.086 nan 8.370 nan 0.000 0.516 1218 L N 1.540 122.809 121.223 0.076 0.000 2.260 1218 L HA 0.134 4.472 4.340 -0.003 0.000 0.289 1218 L C 1.507 178.410 176.870 0.054 0.000 1.057 1218 L CA -0.321 54.556 54.840 0.061 0.000 0.811 1218 L CB 1.595 43.675 42.059 0.036 0.000 1.184 1218 L HN -0.076 nan 8.230 nan 0.000 0.429 1219 S N 0.949 116.677 115.700 0.048 0.000 2.377 1219 S HA -0.019 4.450 4.470 -0.003 0.000 0.223 1219 S C 0.579 175.208 174.600 0.048 0.000 1.030 1219 S CA 0.201 58.427 58.200 0.044 0.000 0.970 1219 S CB 0.168 63.388 63.200 0.032 0.000 0.830 1219 S HN 0.623 nan 8.310 nan 0.000 0.473 1220 D N 1.481 121.910 120.400 0.048 0.000 2.181 1220 D HA 0.273 4.911 4.640 -0.003 0.000 0.248 1220 D C -0.340 175.995 176.300 0.058 0.000 1.020 1220 D CA -0.195 53.834 54.000 0.048 0.000 0.891 1220 D CB 1.594 42.417 40.800 0.039 0.000 1.187 1220 D HN 0.271 nan 8.370 nan 0.000 0.443 1221 E N 0.870 121.108 120.200 0.063 0.000 2.416 1221 E HA 0.187 4.535 4.350 -0.003 0.000 0.189 1221 E C 0.599 177.234 176.600 0.057 0.000 1.091 1221 E CA -0.114 56.331 56.400 0.075 0.000 0.889 1221 E CB 0.408 30.162 29.700 0.090 0.000 1.015 1221 E HN 0.322 nan 8.360 nan 0.000 0.479 1222 A N 0.354 123.202 122.820 0.047 0.000 2.127 1222 A HA 0.122 4.441 4.320 -0.003 0.000 0.204 1222 A C 1.756 179.365 177.584 0.041 0.000 1.243 1222 A CA -0.106 51.953 52.037 0.036 0.000 0.887 1222 A CB 0.119 19.135 19.000 0.026 0.000 0.933 1222 A HN 0.126 nan 8.150 nan 0.000 0.479 1223 E N 0.513 120.748 120.200 0.058 0.000 2.153 1223 E HA -0.172 4.176 4.350 -0.003 0.000 0.194 1223 E C 1.987 178.687 176.600 0.168 0.000 0.988 1223 E CA 1.312 57.770 56.400 0.095 0.000 0.811 1223 E CB -0.059 29.702 29.700 0.102 0.000 0.746 1223 E HN 0.603 nan 8.360 nan 0.000 0.466 1224 R N 0.765 121.338 120.500 0.121 0.000 2.161 1224 R HA -0.041 4.297 4.340 -0.003 0.000 0.213 1224 R C 1.314 177.687 176.300 0.121 0.000 1.055 1224 R CA 1.195 57.375 56.100 0.133 0.000 0.996 1224 R CB -0.108 30.155 30.300 -0.062 0.000 0.901 1224 R HN 0.213 nan 8.270 nan 0.000 0.456 1225 D N 1.625 122.058 120.400 0.055 0.000 2.371 1225 D HA -0.131 4.507 4.640 -0.003 0.000 0.221 1225 D C 0.692 176.967 176.300 -0.042 0.000 0.986 1225 D CA 0.573 54.583 54.000 0.016 0.000 0.899 1225 D CB -0.179 40.626 40.800 0.008 0.000 0.902 1225 D HN 0.426 nan 8.370 nan 0.000 0.530 1226 E N -0.354 119.787 120.200 -0.100 0.000 2.512 1226 E HA -0.009 4.339 4.350 -0.003 0.000 0.195 1226 E C -0.367 175.857 176.600 -0.626 0.000 1.083 1226 E CA 0.225 56.414 56.400 -0.351 0.000 0.873 1226 E CB -0.157 29.269 29.700 -0.457 0.000 0.897 1226 E HN 0.391 nan 8.360 nan 0.000 0.514 1227 Y N 0.499 120.791 120.300 -0.013 0.000 2.524 1227 Y HA 0.315 4.864 4.550 -0.002 0.000 0.347 1227 Y C 0.125 176.002 175.900 -0.038 0.000 1.005 1227 Y CA -1.109 56.983 58.100 -0.012 0.000 1.025 1227 Y CB 1.794 40.267 38.460 0.022 0.000 1.275 1227 Y HN -0.127 nan 8.280 nan 0.000 0.460 1228 E N 1.453 121.718 120.200 0.108 0.000 2.431 1228 E HA 0.679 5.028 4.350 -0.003 0.000 0.268 1228 E C -1.793 174.822 176.600 0.024 0.000 0.953 1228 E CA -1.201 55.221 56.400 0.037 0.000 0.810 1228 E CB 1.901 31.591 29.700 -0.017 0.000 1.369 1228 E HN 0.141 nan 8.360 nan 0.000 0.440 1229 L N 1.006 122.238 121.223 0.014 0.000 2.331 1229 L HA 0.425 4.763 4.340 -0.003 0.000 0.275 1229 L C -0.537 176.333 176.870 -0.000 0.000 1.022 1229 L CA -0.633 54.219 54.840 0.020 0.000 0.812 1229 L CB 1.022 43.117 42.059 0.059 0.000 1.257 1229 L HN 0.451 nan 8.230 nan 0.000 0.435 1230 L N 1.996 123.230 121.223 0.018 0.000 2.275 1230 L HA 0.439 4.777 4.340 -0.003 0.000 0.288 1230 L C -0.511 176.393 176.870 0.057 0.000 1.046 1230 L CA -0.452 54.405 54.840 0.028 0.000 0.805 1230 L CB 1.241 43.340 42.059 0.066 0.000 1.193 1230 L HN 0.582 nan 8.230 nan 0.000 0.426 1231 c N 3.554 122.174 118.600 0.033 0.000 2.364 1231 c HA 0.312 4.880 4.570 -0.003 0.000 0.356 1231 c C -0.642 173.472 174.090 0.040 0.000 1.201 1231 c CA -1.109 55.232 56.329 0.020 0.000 2.227 1231 c CB 1.048 43.552 42.510 -0.010 0.000 2.387 1231 c HN 0.614 nan 8.230 nan 0.000 0.546 1232 P HA -0.104 nan 4.420 nan 0.000 0.228 1232 P C 0.591 177.919 177.300 0.046 0.000 1.151 1232 P CA 1.514 64.642 63.100 0.046 0.000 0.770 1232 P CB -0.038 31.670 31.700 0.015 0.000 0.786 1233 D N -1.923 118.492 120.400 0.026 0.000 2.339 1233 D HA -0.047 4.591 4.640 -0.003 0.000 0.217 1233 D C 0.412 176.736 176.300 0.041 0.000 1.050 1233 D CA -0.279 53.739 54.000 0.030 0.000 0.856 1233 D CB -0.890 39.917 40.800 0.013 0.000 0.922 1233 D HN -0.059 nan 8.370 nan 0.000 0.518 1234 N N -0.168 118.560 118.700 0.047 0.000 2.926 1234 N HA -0.119 4.619 4.740 -0.003 0.000 0.249 1234 N C -0.455 175.068 175.510 0.022 0.000 1.100 1234 N CA 1.145 54.223 53.050 0.048 0.000 0.777 1234 N CB -1.770 36.752 38.487 0.057 0.000 1.112 1234 N HN 0.631 nan 8.380 nan 0.000 0.552 1235 T N -2.579 111.982 114.554 0.010 0.000 2.922 1235 T HA 0.756 5.104 4.350 -0.003 0.000 0.281 1235 T C 0.448 175.135 174.700 -0.022 0.000 1.005 1235 T CA -0.702 61.394 62.100 -0.007 0.000 0.982 1235 T CB 2.392 71.256 68.868 -0.006 0.000 1.158 1235 T HN 0.150 nan 8.240 nan 0.000 0.566 1236 R N -0.240 120.238 120.500 -0.037 0.000 2.832 1236 R HA 0.812 5.150 4.340 -0.003 0.000 0.271 1236 R C -0.935 175.347 176.300 -0.029 0.000 0.996 1236 R CA -0.960 55.112 56.100 -0.047 0.000 0.977 1236 R CB 1.904 32.152 30.300 -0.086 0.000 1.168 1236 R HN 0.614 nan 8.270 nan 0.000 0.482 1237 K N 0.442 120.830 120.400 -0.020 0.000 2.579 1237 K HA 0.395 4.714 4.320 -0.003 0.000 0.284 1237 K C -2.839 173.766 176.600 0.008 0.000 0.990 1237 K CA -1.742 54.540 56.287 -0.008 0.000 0.880 1237 K CB 2.405 34.900 32.500 -0.007 0.000 1.488 1237 K HN 0.266 nan 8.250 nan 0.000 0.425 1238 P HA -0.011 nan 4.420 nan 0.000 0.274 1238 P C 0.716 178.065 177.300 0.082 0.000 1.237 1238 P CA -0.587 62.537 63.100 0.040 0.000 0.793 1238 P CB 0.601 32.325 31.700 0.039 0.000 0.977 1239 V N -0.948 119.025 119.914 0.098 0.000 2.867 1239 V HA -0.197 3.921 4.120 -0.003 0.000 0.260 1239 V C 0.924 177.287 176.094 0.448 0.000 1.099 1239 V CA 2.199 64.589 62.300 0.151 0.000 1.122 1239 V CB -1.665 30.111 31.823 -0.078 0.000 0.708 1239 V HN 0.499 nan 8.190 nan 0.000 0.490 1240 D N -0.894 119.736 120.400 0.383 0.000 2.328 1240 D HA 0.028 4.666 4.640 -0.003 0.000 0.226 1240 D C 1.430 177.679 176.300 -0.085 0.000 1.066 1240 D CA 0.187 54.413 54.000 0.378 0.000 0.861 1240 D CB -0.239 40.735 40.800 0.290 0.000 0.912 1240 D HN 0.384 nan 8.370 nan 0.000 0.521 1241 K N 0.452 120.824 120.400 -0.046 0.000 2.437 1241 K HA 0.112 4.431 4.320 -0.003 0.000 0.205 1241 K C 0.820 177.284 176.600 -0.226 0.000 1.026 1241 K CA -0.278 55.897 56.287 -0.188 0.000 1.153 1241 K CB -0.256 32.199 32.500 -0.074 0.000 0.863 1241 K HN 0.339 nan 8.250 nan 0.000 0.502 1242 F N 0.978 120.906 119.950 -0.036 0.000 2.192 1242 F HA -0.148 4.376 4.527 -0.004 0.000 0.301 1242 F C 1.695 177.360 175.800 -0.225 0.000 1.079 1242 F CA 0.884 58.827 58.000 -0.095 0.000 1.303 1242 F CB -0.529 38.406 39.000 -0.107 0.000 1.024 1242 F HN -0.182 nan 8.300 nan 0.000 0.494 1243 K N 0.526 120.472 120.400 -0.757 0.000 2.160 1243 K HA -0.166 4.153 4.320 -0.003 0.000 0.206 1243 K C 1.012 177.568 176.600 -0.072 0.000 1.047 1243 K CA 1.786 57.766 56.287 -0.512 0.000 0.930 1243 K CB -0.439 31.775 32.500 -0.478 0.000 0.720 1243 K HN 0.517 nan 8.250 nan 0.000 0.450 1244 D N -1.510 118.825 120.400 -0.109 0.000 2.407 1244 D HA 0.002 4.641 4.640 -0.003 0.000 0.208 1244 D C 0.223 176.430 176.300 -0.154 0.000 1.083 1244 D CA 0.090 54.037 54.000 -0.089 0.000 0.844 1244 D CB 0.386 41.139 40.800 -0.078 0.000 0.967 1244 D HN 0.010 nan 8.370 nan 0.000 0.506 1245 c N 3.563 122.107 118.600 -0.094 0.000 3.002 1245 c HA 0.352 4.920 4.570 -0.003 0.000 0.248 1245 c C -0.772 173.337 174.090 0.031 0.000 1.153 1245 c CA -0.394 55.890 56.329 -0.075 0.000 1.502 1245 c CB -1.143 41.359 42.510 -0.013 0.000 1.805 1245 c HN 0.372 nan 8.230 nan 0.000 0.450 1246 H N 2.676 121.785 119.070 0.066 0.000 3.037 1246 H HA 0.339 4.894 4.556 -0.002 0.000 0.355 1246 H C -0.299 175.103 175.328 0.123 0.000 1.263 1246 H CA -0.840 55.280 56.048 0.120 0.000 1.129 1246 H CB 0.839 30.709 29.762 0.181 0.000 1.861 1246 H HN 0.310 nan 8.280 nan 0.000 0.546 1247 L N 0.332 121.728 121.223 0.289 0.000 2.095 1247 L HA 0.279 4.617 4.340 -0.003 0.000 0.204 1247 L C 0.967 177.975 176.870 0.229 0.000 1.080 1247 L CA 1.387 56.346 54.840 0.197 0.000 0.759 1247 L CB -0.118 42.038 42.059 0.162 0.000 0.914 1247 L HN 0.759 nan 8.230 nan 0.000 0.439 1248 A N -0.395 122.597 122.820 0.286 0.000 2.604 1248 A HA 0.535 4.854 4.320 -0.003 0.000 0.295 1248 A C -0.942 176.650 177.584 0.013 0.000 1.067 1248 A CA -0.597 51.541 52.037 0.168 0.000 0.683 1248 A CB 1.332 20.318 19.000 -0.024 0.000 1.281 1248 A HN 0.095 nan 8.150 nan 0.000 0.407 1249 R N 1.463 121.879 120.500 -0.140 0.000 2.207 1249 R HA 0.555 4.893 4.340 -0.003 0.000 0.334 1249 R C -1.392 174.646 176.300 -0.437 0.000 1.013 1249 R CA -0.252 55.528 56.100 -0.534 0.000 0.858 1249 R CB 0.711 30.628 30.300 -0.638 0.000 1.094 1249 R HN 0.489 nan 8.270 nan 0.000 0.457 1250 V N 8.012 127.539 119.914 -0.645 0.000 2.348 1250 V HA 0.314 4.432 4.120 -0.003 0.000 0.270 1250 V C -1.838 174.019 176.094 -0.396 0.000 1.037 1250 V CA -1.717 60.243 62.300 -0.567 0.000 0.872 1250 V CB 0.905 32.110 31.823 -1.031 0.000 1.002 1250 V HN 0.802 nan 8.190 nan 0.000 0.464 1251 P HA 0.259 nan 4.420 nan 0.000 0.278 1251 P C -0.063 177.331 177.300 0.157 0.000 1.258 1251 P CA -0.320 62.710 63.100 -0.117 0.000 0.811 1251 P CB 1.012 32.422 31.700 -0.483 0.000 1.063 1252 S N 0.227 116.048 115.700 0.203 0.000 2.584 1252 S HA 0.100 4.568 4.470 -0.003 0.000 0.270 1252 S C 0.316 175.231 174.600 0.525 0.000 1.346 1252 S CA -0.305 58.093 58.200 0.330 0.000 1.018 1252 S CB -0.625 62.555 63.200 -0.034 0.000 0.899 1252 S HN 0.436 nan 8.310 nan 0.000 0.542 1253 H N 0.373 119.718 119.070 0.459 0.000 2.929 1253 H HA 0.406 4.961 4.556 -0.002 0.000 0.358 1253 H C 0.431 175.987 175.328 0.381 0.000 1.111 1253 H CA 0.211 56.508 56.048 0.415 0.000 1.409 1253 H CB 0.362 30.370 29.762 0.411 0.000 1.373 1253 H HN 0.891 nan 8.280 nan 0.000 0.610 1254 A N 2.314 125.382 122.820 0.413 0.000 2.435 1254 A HA 0.416 4.735 4.320 -0.003 0.000 0.304 1254 A C -0.683 177.024 177.584 0.204 0.000 1.064 1254 A CA -0.767 51.418 52.037 0.247 0.000 0.727 1254 A CB 1.245 20.179 19.000 -0.110 0.000 1.284 1254 A HN 0.462 nan 8.150 nan 0.000 0.415 1255 V N 2.451 122.505 119.914 0.234 0.000 2.479 1255 V HA 0.354 4.473 4.120 -0.003 0.000 0.281 1255 V C 0.571 176.658 176.094 -0.012 0.000 1.031 1255 V CA 0.049 62.436 62.300 0.145 0.000 1.038 1255 V CB 0.521 32.489 31.823 0.240 0.000 0.981 1255 V HN 0.938 nan 8.190 nan 0.000 0.478 1256 V N 2.663 122.523 119.914 -0.090 0.000 2.732 1256 V HA 1.071 5.189 4.120 -0.003 0.000 0.310 1256 V C 0.004 176.004 176.094 -0.157 0.000 1.053 1256 V CA -0.328 61.900 62.300 -0.119 0.000 0.957 1256 V CB 1.539 33.298 31.823 -0.107 0.000 1.018 1256 V HN 1.108 nan 8.190 nan 0.000 0.452 1257 A N 3.432 126.177 122.820 -0.124 0.000 2.552 1257 A HA 0.862 5.180 4.320 -0.003 0.000 0.288 1257 A C -0.230 177.302 177.584 -0.087 0.000 1.193 1257 A CA -1.132 50.833 52.037 -0.120 0.000 0.713 1257 A CB 1.546 20.485 19.000 -0.102 0.000 1.305 1257 A HN 1.220 nan 8.150 nan 0.000 0.424 1258 R N -0.023 120.433 120.500 -0.074 0.000 2.531 1258 R HA 0.426 4.764 4.340 -0.003 0.000 0.273 1258 R C 0.009 176.281 176.300 -0.048 0.000 1.070 1258 R CA 0.379 56.449 56.100 -0.051 0.000 1.112 1258 R CB 0.586 30.863 30.300 -0.039 0.000 1.049 1258 R HN 0.532 nan 8.270 nan 0.000 0.508 1259 S N 0.740 116.416 115.700 -0.041 0.000 2.461 1259 S HA -0.028 4.440 4.470 -0.003 0.000 0.228 1259 S C 1.043 175.619 174.600 -0.039 0.000 1.005 1259 S CA 0.215 58.389 58.200 -0.044 0.000 0.942 1259 S CB -0.148 63.026 63.200 -0.043 0.000 0.776 1259 S HN 0.588 nan 8.310 nan 0.000 0.514 1260 V N 0.307 120.201 119.914 -0.034 0.000 2.313 1260 V HA 0.578 4.696 4.120 -0.003 0.000 0.278 1260 V C -0.259 175.818 176.094 -0.029 0.000 1.017 1260 V CA -0.989 61.293 62.300 -0.030 0.000 0.823 1260 V CB 0.144 31.951 31.823 -0.027 0.000 1.010 1260 V HN 0.269 nan 8.190 nan 0.000 0.443 1261 N N 3.340 122.024 118.700 -0.028 0.000 2.780 1261 N HA -0.144 4.595 4.740 -0.003 0.000 0.247 1261 N C 1.206 176.698 175.510 -0.029 0.000 1.076 1261 N CA 0.987 54.022 53.050 -0.025 0.000 0.688 1261 N CB -0.915 37.559 38.487 -0.023 0.000 0.957 1261 N HN 1.113 nan 8.380 nan 0.000 0.551 1262 G N 0.324 109.105 108.800 -0.033 0.000 2.572 1262 G HA2 -0.144 3.815 3.960 -0.003 0.000 0.216 1262 G HA3 -0.144 3.815 3.960 -0.003 0.000 0.216 1262 G C 0.842 175.721 174.900 -0.034 0.000 1.133 1262 G CA 0.954 46.030 45.100 -0.041 0.000 0.791 1262 G HN 0.474 nan 8.290 nan 0.000 0.538 1263 K N -0.650 119.738 120.400 -0.019 0.000 3.339 1263 K HA -0.215 4.103 4.320 -0.003 0.000 0.299 1263 K C 1.167 177.777 176.600 0.016 0.000 1.270 1263 K CA 1.054 57.338 56.287 -0.004 0.000 0.875 1263 K CB -1.462 31.031 32.500 -0.011 0.000 1.298 1263 K HN 0.478 nan 8.250 nan 0.000 0.485 1264 E N 1.336 121.542 120.200 0.011 0.000 2.187 1264 E HA -0.215 4.134 4.350 -0.003 0.000 0.199 1264 E C 1.437 178.093 176.600 0.093 0.000 1.004 1264 E CA 1.958 58.379 56.400 0.034 0.000 0.813 1264 E CB -0.042 29.656 29.700 -0.004 0.000 0.736 1264 E HN 0.397 nan 8.360 nan 0.000 0.468 1265 D N 0.161 120.607 120.400 0.076 0.000 2.097 1265 D HA -0.107 4.531 4.640 -0.003 0.000 0.197 1265 D C 1.997 178.378 176.300 0.136 0.000 0.984 1265 D CA 1.349 55.418 54.000 0.115 0.000 0.826 1265 D CB -0.172 40.670 40.800 0.070 0.000 0.973 1265 D HN 0.246 nan 8.370 nan 0.000 0.460 1266 A N 1.398 124.269 122.820 0.085 0.000 1.877 1266 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 1266 A C 2.372 180.013 177.584 0.094 0.000 1.186 1266 A CA 0.934 53.011 52.037 0.068 0.000 0.620 1266 A CB -0.813 18.208 19.000 0.036 0.000 0.822 1266 A HN 0.139 nan 8.150 nan 0.000 0.443 1267 I N -1.613 119.026 120.570 0.116 0.000 2.163 1267 I HA -0.304 3.864 4.170 -0.003 0.000 0.243 1267 I C 2.555 178.797 176.117 0.208 0.000 1.085 1267 I CA 1.707 63.108 61.300 0.167 0.000 1.347 1267 I CB -0.357 37.727 38.000 0.139 0.000 1.044 1267 I HN 0.743 nan 8.210 nan 0.000 0.408 1268 W N 2.158 123.486 121.300 0.046 0.000 2.409 1268 W HA -0.228 4.429 4.660 -0.006 0.000 0.299 1268 W C 2.334 178.890 176.519 0.062 0.000 1.203 1268 W CA 1.659 59.031 57.345 0.045 0.000 1.298 1268 W CB -0.339 29.138 29.460 0.029 0.000 1.127 1268 W HN 0.207 nan 8.180 nan 0.000 0.528 1269 N N 1.442 120.154 118.700 0.019 0.000 2.036 1269 N HA -0.276 4.462 4.740 -0.003 0.000 0.195 1269 N C 1.898 177.332 175.510 -0.127 0.000 1.037 1269 N CA 2.537 55.539 53.050 -0.079 0.000 0.855 1269 N CB -1.008 37.496 38.487 0.028 0.000 1.033 1269 N HN 0.171 nan 8.380 nan 0.000 0.423 1270 L N 0.577 121.775 121.223 -0.041 0.000 1.971 1270 L HA -0.111 4.228 4.340 -0.003 0.000 0.215 1270 L C 2.089 178.963 176.870 0.007 0.000 1.072 1270 L CA 1.681 56.523 54.840 0.002 0.000 0.758 1270 L CB -0.835 41.248 42.059 0.041 0.000 0.889 1270 L HN 0.331 nan 8.230 nan 0.000 0.433 1271 L N -1.068 120.100 121.223 -0.092 0.000 2.093 1271 L HA -0.165 4.174 4.340 -0.003 0.000 0.208 1271 L C 2.822 179.548 176.870 -0.239 0.000 1.085 1271 L CA 1.029 55.757 54.840 -0.188 0.000 0.755 1271 L CB -0.702 41.053 42.059 -0.506 0.000 0.904 1271 L HN 0.307 nan 8.230 nan 0.000 0.435 1272 R N 0.049 120.208 120.500 -0.569 0.000 2.080 1272 R HA -0.168 4.171 4.340 -0.003 0.000 0.236 1272 R C 2.366 178.553 176.300 -0.188 0.000 1.137 1272 R CA 1.557 57.352 56.100 -0.508 0.000 0.943 1272 R CB -0.153 29.733 30.300 -0.690 0.000 0.846 1272 R HN 0.377 nan 8.270 nan 0.000 0.431 1273 Q N -0.098 119.626 119.800 -0.128 0.000 2.020 1273 Q HA -0.065 4.274 4.340 -0.003 0.000 0.202 1273 Q C 2.103 178.116 176.000 0.021 0.000 0.982 1273 Q CA 1.756 57.534 55.803 -0.041 0.000 0.838 1273 Q CB -0.678 28.057 28.738 -0.004 0.000 0.899 1273 Q HN 0.363 nan 8.270 nan 0.000 0.423 1274 A N 1.166 124.080 122.820 0.158 0.000 1.948 1274 A HA -0.295 4.024 4.320 -0.003 0.000 0.220 1274 A C 2.105 179.750 177.584 0.103 0.000 1.177 1274 A CA 2.111 54.355 52.037 0.345 0.000 0.636 1274 A CB -0.701 18.624 19.000 0.541 0.000 0.815 1274 A HN 0.524 nan 8.150 nan 0.000 0.449 1275 Q N -0.764 119.048 119.800 0.020 0.000 2.167 1275 Q HA -0.183 4.156 4.340 -0.003 0.000 0.202 1275 Q C 2.000 177.958 176.000 -0.070 0.000 0.970 1275 Q CA 1.648 57.428 55.803 -0.038 0.000 0.855 1275 Q CB -0.190 28.583 28.738 0.058 0.000 0.911 1275 Q HN 0.750 nan 8.270 nan 0.000 0.438 1276 E N -0.487 119.663 120.200 -0.084 0.000 2.158 1276 E HA -0.127 4.221 4.350 -0.003 0.000 0.191 1276 E C 1.526 178.009 176.600 -0.195 0.000 0.982 1276 E CA 0.595 56.931 56.400 -0.107 0.000 0.823 1276 E CB 0.352 30.000 29.700 -0.087 0.000 0.766 1276 E HN 0.212 nan 8.360 nan 0.000 0.468 1277 K N -0.253 119.943 120.400 -0.339 0.000 2.078 1277 K HA 0.002 4.320 4.320 -0.003 0.000 0.203 1277 K C 1.454 177.630 176.600 -0.707 0.000 1.043 1277 K CA 0.846 56.714 56.287 -0.697 0.000 0.960 1277 K CB -0.103 31.630 32.500 -1.280 0.000 0.761 1277 K HN 0.108 nan 8.250 nan 0.000 0.448 1278 F N 0.545 120.476 119.950 -0.032 0.000 2.654 1278 F HA 0.318 4.846 4.527 0.002 0.000 0.303 1278 F C 1.359 176.998 175.800 -0.270 0.000 1.099 1278 F CA -0.723 57.217 58.000 -0.101 0.000 1.270 1278 F CB -0.361 38.642 39.000 0.006 0.000 1.024 1278 F HN -0.084 nan 8.300 nan 0.000 0.548 1279 G N 0.461 109.180 108.800 -0.133 0.000 2.443 1279 G HA2 -0.006 3.953 3.960 -0.003 0.000 0.286 1279 G HA3 -0.006 3.953 3.960 -0.003 0.000 0.286 1279 G C 0.062 174.933 174.900 -0.048 0.000 1.393 1279 G CA -0.597 44.415 45.100 -0.148 0.000 1.080 1279 G HN 0.028 nan 8.290 nan 0.000 0.566 1280 K N 0.667 121.112 120.400 0.075 0.000 2.416 1280 K HA 0.061 4.380 4.320 -0.003 0.000 0.283 1280 K C -0.373 176.229 176.600 0.004 0.000 1.037 1280 K CA 0.296 56.617 56.287 0.057 0.000 0.995 1280 K CB 0.308 32.844 32.500 0.060 0.000 0.938 1280 K HN 0.454 nan 8.250 nan 0.000 0.475 1281 D N 2.860 123.256 120.400 -0.007 0.000 2.723 1281 D HA -0.161 4.477 4.640 -0.003 0.000 0.236 1281 D C 0.319 176.608 176.300 -0.018 0.000 1.138 1281 D CA 0.906 54.899 54.000 -0.011 0.000 0.676 1281 D CB -0.235 40.560 40.800 -0.009 0.000 1.069 1281 D HN 0.493 nan 8.370 nan 0.000 0.430 1282 K N -0.945 119.439 120.400 -0.027 0.000 2.367 1282 K HA 0.183 4.502 4.320 -0.003 0.000 0.195 1282 K C 0.599 177.180 176.600 -0.031 0.000 1.060 1282 K CA 0.393 56.653 56.287 -0.045 0.000 1.022 1282 K CB 1.078 33.526 32.500 -0.086 0.000 0.894 1282 K HN 0.236 nan 8.250 nan 0.000 0.540 1283 S N 0.881 116.587 115.700 0.010 0.000 2.582 1283 S HA 0.281 4.749 4.470 -0.003 0.000 0.287 1283 S C -2.655 171.992 174.600 0.079 0.000 1.146 1283 S CA -0.881 57.355 58.200 0.061 0.000 0.941 1283 S CB 1.777 65.057 63.200 0.133 0.000 1.115 1283 S HN -0.161 nan 8.310 nan 0.000 0.458 1284 P HA 0.161 nan 4.420 nan 0.000 0.236 1284 P C 0.793 178.147 177.300 0.091 0.000 1.177 1284 P CA 0.404 63.540 63.100 0.060 0.000 0.773 1284 P CB 0.138 31.864 31.700 0.045 0.000 0.878 1285 K N -1.638 118.848 120.400 0.144 0.000 2.167 1285 K HA 0.087 4.405 4.320 -0.003 0.000 0.203 1285 K C 0.278 177.030 176.600 0.253 0.000 1.052 1285 K CA 0.734 57.127 56.287 0.178 0.000 0.956 1285 K CB 0.050 32.671 32.500 0.202 0.000 0.735 1285 K HN 0.111 nan 8.250 nan 0.000 0.451 1286 F N -0.061 119.936 119.950 0.079 0.000 2.672 1286 F HA 0.257 4.783 4.527 -0.001 0.000 0.311 1286 F C -2.198 173.609 175.800 0.012 0.000 1.113 1286 F CA -0.908 57.081 58.000 -0.018 0.000 0.996 1286 F CB 1.552 40.428 39.000 -0.206 0.000 1.286 1286 F HN -0.297 nan 8.300 nan 0.000 0.441 1287 Q N 5.733 124.938 119.800 -0.992 0.000 2.347 1287 Q HA 0.428 4.766 4.340 -0.003 0.000 0.265 1287 Q C 0.615 175.925 176.000 -1.149 0.000 1.024 1287 Q CA -0.436 54.907 55.803 -0.767 0.000 0.731 1287 Q CB 2.045 30.569 28.738 -0.357 0.000 1.245 1287 Q HN 0.866 nan 8.270 nan 0.000 0.472 1288 L N 1.308 121.887 121.223 -1.074 0.000 1.990 1288 L HA -0.085 4.253 4.340 -0.003 0.000 0.213 1288 L C -0.075 176.326 176.870 -0.781 0.000 1.072 1288 L CA 1.450 55.642 54.840 -1.080 0.000 0.755 1288 L CB 0.128 41.427 42.059 -1.268 0.000 0.889 1288 L HN 0.569 nan 8.230 nan 0.000 0.432 1289 F N -0.055 119.709 119.950 -0.309 0.000 2.371 1289 F HA 0.581 5.103 4.527 -0.009 0.000 0.363 1289 F C 0.632 176.338 175.800 -0.156 0.000 1.122 1289 F CA -0.711 57.180 58.000 -0.181 0.000 1.129 1289 F CB 0.747 39.638 39.000 -0.182 0.000 1.173 1289 F HN 0.020 nan 8.300 nan 0.000 0.489 1290 G N 1.206 110.035 108.800 0.048 0.000 2.306 1290 G HA2 0.354 4.313 3.960 -0.003 0.000 0.340 1290 G HA3 0.354 4.313 3.960 -0.003 0.000 0.340 1290 G C -1.542 173.346 174.900 -0.021 0.000 1.630 1290 G CA -1.093 44.003 45.100 -0.006 0.000 0.937 1290 G HN 0.567 nan 8.290 nan 0.000 0.693 1291 S N 2.437 118.140 115.700 0.005 0.000 2.568 1291 S HA 0.862 5.330 4.470 -0.003 0.000 0.293 1291 S C -2.158 172.451 174.600 0.015 0.000 1.089 1291 S CA -1.034 57.175 58.200 0.015 0.000 0.945 1291 S CB 2.450 65.671 63.200 0.034 0.000 1.077 1291 S HN 0.831 nan 8.310 nan 0.000 0.485 1292 P HA 0.225 nan 4.420 nan 0.000 0.273 1292 P C -0.660 176.655 177.300 0.024 0.000 1.250 1292 P CA -0.500 62.615 63.100 0.024 0.000 0.793 1292 P CB 0.144 31.864 31.700 0.033 0.000 1.011 1293 S N -0.733 114.980 115.700 0.022 0.000 2.558 1293 S HA 0.297 4.766 4.470 -0.003 0.000 0.293 1293 S C 1.524 176.138 174.600 0.023 0.000 1.292 1293 S CA 0.356 58.568 58.200 0.021 0.000 1.063 1293 S CB -0.532 62.679 63.200 0.018 0.000 0.831 1293 S HN 1.020 nan 8.310 nan 0.000 0.499 1294 G N 1.380 110.194 108.800 0.023 0.000 2.267 1294 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.257 1294 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.257 1294 G C -0.000 174.917 174.900 0.030 0.000 0.998 1294 G CA 0.223 45.338 45.100 0.025 0.000 0.620 1294 G HN 0.697 nan 8.290 nan 0.000 0.529 1295 Q N -0.168 119.651 119.800 0.031 0.000 2.204 1295 Q HA 0.773 5.112 4.340 -0.003 0.000 0.254 1295 Q C -0.316 175.707 176.000 0.039 0.000 0.981 1295 Q CA -0.411 55.414 55.803 0.036 0.000 0.897 1295 Q CB 1.871 30.631 28.738 0.037 0.000 1.273 1295 Q HN 0.190 nan 8.270 nan 0.000 0.464 1296 K N 1.487 121.915 120.400 0.047 0.000 2.565 1296 K HA 0.150 4.469 4.320 -0.003 0.000 0.251 1296 K C -1.465 175.178 176.600 0.071 0.000 0.956 1296 K CA -0.336 55.984 56.287 0.055 0.000 0.809 1296 K CB 1.186 33.720 32.500 0.057 0.000 1.267 1296 K HN 0.548 nan 8.250 nan 0.000 0.438 1297 D N 1.837 122.287 120.400 0.084 0.000 2.699 1297 D HA -0.206 4.432 4.640 -0.003 0.000 0.239 1297 D C -0.234 176.130 176.300 0.107 0.000 1.136 1297 D CA 0.738 54.811 54.000 0.121 0.000 0.668 1297 D CB -1.117 39.769 40.800 0.143 0.000 1.060 1297 D HN 0.379 nan 8.370 nan 0.000 0.429 1298 L N 0.322 121.590 121.223 0.075 0.000 2.369 1298 L HA 0.243 4.582 4.340 -0.003 0.000 0.279 1298 L C 2.075 178.935 176.870 -0.017 0.000 1.108 1298 L CA -0.426 54.434 54.840 0.034 0.000 0.852 1298 L CB 0.378 42.454 42.059 0.027 0.000 1.169 1298 L HN 0.242 nan 8.230 nan 0.000 0.452 1299 L N 1.276 122.447 121.223 -0.086 0.000 2.824 1299 L HA -0.335 4.004 4.340 -0.003 0.000 0.395 1299 L C -0.188 176.345 176.870 -0.562 0.000 1.064 1299 L CA 1.438 56.069 54.840 -0.348 0.000 3.242 1299 L CB -1.104 40.608 42.059 -0.579 0.000 0.821 1299 L HN 0.412 nan 8.230 nan 0.000 0.792 1300 F N -0.527 119.534 119.950 0.184 0.000 2.593 1300 F HA 0.521 5.050 4.527 0.003 0.000 0.320 1300 F C 0.542 176.493 175.800 0.252 0.000 1.060 1300 F CA -0.931 57.253 58.000 0.305 0.000 0.940 1300 F CB 1.084 40.344 39.000 0.433 0.000 1.268 1300 F HN -0.240 nan 8.300 nan 0.000 0.475 1301 K N 1.212 121.883 120.400 0.451 0.000 2.401 1301 K HA 0.024 4.342 4.320 -0.003 0.000 0.278 1301 K C 0.184 176.895 176.600 0.185 0.000 1.018 1301 K CA -0.059 56.379 56.287 0.252 0.000 0.981 1301 K CB 0.491 33.085 32.500 0.156 0.000 0.933 1301 K HN 0.562 nan 8.250 nan 0.000 0.477 1302 D N 0.704 121.172 120.400 0.113 0.000 2.309 1302 D HA -0.107 4.532 4.640 -0.003 0.000 0.212 1302 D C 1.178 177.486 176.300 0.013 0.000 0.968 1302 D CA 1.207 55.259 54.000 0.085 0.000 0.882 1302 D CB 0.143 40.973 40.800 0.051 0.000 0.918 1302 D HN 0.466 nan 8.370 nan 0.000 0.503 1303 S N -0.505 115.168 115.700 -0.044 0.000 2.575 1303 S HA 0.371 4.839 4.470 -0.003 0.000 0.215 1303 S C 0.937 175.466 174.600 -0.119 0.000 0.966 1303 S CA -0.516 57.625 58.200 -0.098 0.000 0.911 1303 S CB 0.339 63.445 63.200 -0.157 0.000 0.780 1303 S HN 0.207 nan 8.310 nan 0.000 0.514 1304 A N 2.312 124.986 122.820 -0.245 0.000 2.407 1304 A HA 0.627 4.945 4.320 -0.003 0.000 0.248 1304 A C 0.870 177.784 177.584 -1.118 0.000 1.082 1304 A CA -0.535 51.124 52.037 -0.630 0.000 0.785 1304 A CB -0.137 18.287 19.000 -0.960 0.000 1.020 1304 A HN 0.813 nan 8.150 nan 0.000 0.489 1305 I N -0.795 119.261 120.570 -0.855 0.000 4.147 1305 I HA 0.595 4.763 4.170 -0.003 0.000 0.329 1305 I C 0.407 176.259 176.117 -0.442 0.000 1.424 1305 I CA 0.352 61.325 61.300 -0.545 0.000 1.127 1305 I CB 0.046 37.897 38.000 -0.248 0.000 1.128 1305 I HN 0.872 nan 8.210 nan 0.000 0.417 1306 G N 1.178 109.523 108.800 -0.759 0.000 2.345 1306 G HA2 0.291 4.250 3.960 -0.003 0.000 0.285 1306 G HA3 0.291 4.250 3.960 -0.003 0.000 0.285 1306 G C -1.911 172.593 174.900 -0.660 0.000 1.297 1306 G CA -0.762 44.050 45.100 -0.480 0.000 0.875 1306 G HN 0.065 nan 8.290 nan 0.000 0.506 1307 F N 0.085 120.105 119.950 0.117 0.000 2.563 1307 F HA 0.813 5.340 4.527 0.001 0.000 0.316 1307 F C 0.512 176.529 175.800 0.361 0.000 1.076 1307 F CA -0.811 57.324 58.000 0.225 0.000 0.921 1307 F CB 2.614 41.796 39.000 0.304 0.000 1.209 1307 F HN 0.503 nan 8.300 nan 0.000 0.462 1308 S N 1.718 117.740 115.700 0.537 0.000 2.454 1308 S HA 0.485 4.954 4.470 -0.003 0.000 0.306 1308 S C -0.547 174.230 174.600 0.296 0.000 1.100 1308 S CA -0.732 57.731 58.200 0.439 0.000 1.087 1308 S CB 0.826 64.258 63.200 0.386 0.000 1.019 1308 S HN 0.699 nan 8.310 nan 0.000 0.480 1309 R N 3.660 124.038 120.500 -0.203 0.000 2.401 1309 R HA 0.304 4.642 4.340 -0.003 0.000 0.299 1309 R C -0.753 175.266 176.300 -0.468 0.000 1.064 1309 R CA -0.303 55.421 56.100 -0.627 0.000 1.000 1309 R CB 0.312 29.773 30.300 -1.398 0.000 0.973 1309 R HN 0.559 nan 8.270 nan 0.000 0.438 1310 V N 8.263 127.937 119.914 -0.399 0.000 2.521 1310 V HA 0.110 4.228 4.120 -0.003 0.000 0.286 1310 V C -1.831 173.918 176.094 -0.574 0.000 1.034 1310 V CA -1.400 60.523 62.300 -0.628 0.000 1.045 1310 V CB 0.868 32.538 31.823 -0.256 0.000 0.974 1310 V HN 0.799 nan 8.190 nan 0.000 0.480 1311 P HA 0.069 nan 4.420 nan 0.000 0.266 1311 P C -1.800 175.348 177.300 -0.253 0.000 1.193 1311 P CA -0.985 61.878 63.100 -0.395 0.000 0.770 1311 P CB 0.046 31.547 31.700 -0.331 0.000 0.836 1312 P HA -0.122 nan 4.420 nan 0.000 0.220 1312 P C 1.271 178.509 177.300 -0.103 0.000 1.148 1312 P CA 1.178 64.198 63.100 -0.135 0.000 0.803 1312 P CB 0.170 31.803 31.700 -0.112 0.000 0.782 1313 R N 0.142 120.586 120.500 -0.093 0.000 2.285 1313 R HA 0.084 4.423 4.340 -0.003 0.000 0.213 1313 R C 0.847 177.112 176.300 -0.058 0.000 1.068 1313 R CA 0.290 56.350 56.100 -0.067 0.000 1.004 1313 R CB -1.277 28.991 30.300 -0.052 0.000 0.873 1313 R HN 0.183 nan 8.270 nan 0.000 0.467 1314 I N 2.152 122.684 120.570 -0.063 0.000 2.325 1314 I HA 0.116 4.285 4.170 -0.003 0.000 0.291 1314 I C -0.178 175.921 176.117 -0.030 0.000 1.019 1314 I CA -0.716 60.572 61.300 -0.019 0.000 1.302 1314 I CB 1.020 39.038 38.000 0.031 0.000 1.401 1314 I HN 0.198 nan 8.210 nan 0.000 0.485 1315 D N 3.580 123.959 120.400 -0.034 0.000 2.588 1315 D HA 0.216 4.854 4.640 -0.003 0.000 0.268 1315 D C 1.082 177.360 176.300 -0.036 0.000 1.176 1315 D CA -0.543 53.424 54.000 -0.054 0.000 1.080 1315 D CB 0.408 41.160 40.800 -0.080 0.000 1.186 1315 D HN 0.414 nan 8.370 nan 0.000 0.619 1316 S N -1.002 114.660 115.700 -0.063 0.000 2.353 1316 S HA -0.116 4.353 4.470 -0.003 0.000 0.222 1316 S C 2.176 176.708 174.600 -0.115 0.000 1.035 1316 S CA 1.355 59.538 58.200 -0.028 0.000 1.025 1316 S CB -1.627 61.559 63.200 -0.023 0.000 0.902 1316 S HN 0.709 nan 8.310 nan 0.000 0.440 1317 G N 1.966 110.526 108.800 -0.400 0.000 2.491 1317 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.218 1317 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.218 1317 G C 1.449 176.089 174.900 -0.432 0.000 1.180 1317 G CA 1.171 45.717 45.100 -0.922 0.000 0.774 1317 G HN 0.469 nan 8.290 nan 0.000 0.562 1318 L N -1.021 120.074 121.223 -0.214 0.000 2.046 1318 L HA -0.021 4.317 4.340 -0.003 0.000 0.208 1318 L C 2.513 179.396 176.870 0.023 0.000 1.077 1318 L CA 1.326 56.121 54.840 -0.075 0.000 0.747 1318 L CB -0.552 41.489 42.059 -0.029 0.000 0.896 1318 L HN 0.338 nan 8.230 nan 0.000 0.432 1319 Y N -0.196 120.078 120.300 -0.044 0.000 2.165 1319 Y HA -0.259 4.288 4.550 -0.004 0.000 0.286 1319 Y C 2.201 178.119 175.900 0.030 0.000 1.155 1319 Y CA 1.688 59.810 58.100 0.037 0.000 1.164 1319 Y CB -0.123 38.371 38.460 0.058 0.000 0.978 1319 Y HN 0.059 nan 8.280 nan 0.000 0.513 1320 L N -0.535 120.722 121.223 0.056 0.000 2.179 1320 L HA 0.147 4.485 4.340 -0.003 0.000 0.208 1320 L C 1.159 178.060 176.870 0.052 0.000 1.096 1320 L CA 0.529 55.381 54.840 0.019 0.000 0.779 1320 L CB -1.006 41.043 42.059 -0.015 0.000 0.922 1320 L HN 0.411 nan 8.230 nan 0.000 0.443 1321 G N -0.584 108.227 108.800 0.019 0.000 2.705 1321 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.686 1321 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.686 1321 G C 0.616 175.607 174.900 0.151 0.000 1.285 1321 G CA -0.171 44.963 45.100 0.056 0.000 0.800 1321 G HN 0.184 nan 8.290 nan 0.000 0.611 1322 S N 0.541 116.324 115.700 0.137 0.000 2.368 1322 S HA -0.019 4.449 4.470 -0.003 0.000 0.225 1322 S C 2.684 177.400 174.600 0.194 0.000 1.030 1322 S CA 2.085 60.395 58.200 0.185 0.000 0.999 1322 S CB -0.682 62.590 63.200 0.119 0.000 0.844 1322 S HN 2.146 nan 8.310 nan 0.000 0.459 1323 G N 1.022 109.926 108.800 0.172 0.000 2.514 1323 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.217 1323 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.217 1323 G C 1.349 176.368 174.900 0.199 0.000 1.198 1323 G CA 1.123 46.319 45.100 0.161 0.000 0.780 1323 G HN 0.464 nan 8.290 nan 0.000 0.565 1324 Y N 0.637 120.978 120.300 0.070 0.000 2.145 1324 Y HA -0.053 4.495 4.550 -0.003 0.000 0.286 1324 Y C 2.442 178.390 175.900 0.079 0.000 1.145 1324 Y CA 0.793 58.921 58.100 0.048 0.000 1.148 1324 Y CB -1.039 37.443 38.460 0.036 0.000 0.981 1324 Y HN 0.188 nan 8.280 nan 0.000 0.507 1325 F N 1.100 121.103 119.950 0.087 0.000 2.065 1325 F HA -0.267 4.259 4.527 -0.003 0.000 0.298 1325 F C 2.672 178.461 175.800 -0.018 0.000 1.112 1325 F CA 2.771 60.767 58.000 -0.007 0.000 1.212 1325 F CB -0.988 38.039 39.000 0.045 0.000 0.975 1325 F HN 0.167 nan 8.300 nan 0.000 0.476 1326 T N -1.642 112.924 114.554 0.021 0.000 2.904 1326 T HA 0.020 4.368 4.350 -0.003 0.000 0.267 1326 T C 2.141 176.766 174.700 -0.124 0.000 1.059 1326 T CA 0.850 62.889 62.100 -0.101 0.000 1.137 1326 T CB -1.032 67.834 68.868 -0.004 0.000 0.879 1326 T HN 0.258 nan 8.240 nan 0.000 0.467 1327 A N 1.928 124.716 122.820 -0.054 0.000 1.877 1327 A HA 0.101 4.419 4.320 -0.003 0.000 0.216 1327 A C 2.356 179.861 177.584 -0.131 0.000 1.186 1327 A CA 1.397 53.389 52.037 -0.075 0.000 0.620 1327 A CB -0.858 18.132 19.000 -0.018 0.000 0.822 1327 A HN 0.572 nan 8.150 nan 0.000 0.443 1328 I N -0.959 119.510 120.570 -0.169 0.000 2.163 1328 I HA -0.331 3.838 4.170 -0.003 0.000 0.243 1328 I C 2.784 178.680 176.117 -0.368 0.000 1.085 1328 I CA 1.870 62.978 61.300 -0.320 0.000 1.347 1328 I CB -0.518 37.119 38.000 -0.604 0.000 1.044 1328 I HN 0.413 nan 8.210 nan 0.000 0.408 1329 Q N 0.996 120.536 119.800 -0.432 0.000 2.062 1329 Q HA -0.267 4.071 4.340 -0.003 0.000 0.209 1329 Q C 2.025 177.926 176.000 -0.165 0.000 0.996 1329 Q CA 2.143 57.761 55.803 -0.308 0.000 0.859 1329 Q CB -0.086 28.446 28.738 -0.343 0.000 0.920 1329 Q HN 0.392 nan 8.270 nan 0.000 0.415 1330 N N -0.304 118.310 118.700 -0.143 0.000 2.272 1330 N HA -0.129 4.610 4.740 -0.003 0.000 0.185 1330 N C 1.283 176.793 175.510 -0.001 0.000 1.014 1330 N CA 0.910 53.910 53.050 -0.083 0.000 0.870 1330 N CB -0.067 38.355 38.487 -0.108 0.000 0.975 1330 N HN 0.285 nan 8.380 nan 0.000 0.433 1331 L N -0.370 120.844 121.223 -0.016 0.000 2.478 1331 L HA 0.068 4.406 4.340 -0.003 0.000 0.223 1331 L C 1.860 178.858 176.870 0.213 0.000 1.140 1331 L CA 0.557 55.453 54.840 0.092 0.000 0.842 1331 L CB 0.089 42.131 42.059 -0.029 0.000 0.953 1331 L HN 0.017 nan 8.230 nan 0.000 0.452 1332 R N -0.901 119.647 120.500 0.079 0.000 2.307 1332 R HA 0.139 4.477 4.340 -0.003 0.000 0.200 1332 R C 0.371 176.667 176.300 -0.007 0.000 0.893 1332 R CA -0.089 56.044 56.100 0.054 0.000 1.042 1332 R CB 0.498 30.808 30.300 0.017 0.000 1.059 1332 R HN 0.136 nan 8.270 nan 0.000 0.530 1333 K N 1.092 121.477 120.400 -0.025 0.000 2.168 1333 K HA 0.154 4.472 4.320 -0.003 0.000 0.258 1333 K C 0.080 176.598 176.600 -0.137 0.000 1.010 1333 K CA -0.224 56.021 56.287 -0.070 0.000 0.929 1333 K CB 1.106 33.567 32.500 -0.065 0.000 0.998 1333 K HN -0.033 nan 8.250 nan 0.000 0.479 1334 S N 0.321 115.931 115.700 -0.150 0.000 2.608 1334 S HA -0.023 4.445 4.470 -0.003 0.000 0.261 1334 S C 1.102 175.604 174.600 -0.163 0.000 1.314 1334 S CA -0.696 57.384 58.200 -0.200 0.000 0.992 1334 S CB 1.014 64.121 63.200 -0.155 0.000 0.935 1334 S HN 0.791 nan 8.310 nan 0.000 0.564 1335 E N 0.608 120.703 120.200 -0.175 0.000 2.338 1335 E HA -0.163 4.185 4.350 -0.003 0.000 0.197 1335 E C 1.428 177.979 176.600 -0.082 0.000 1.007 1335 E CA 0.925 57.258 56.400 -0.111 0.000 0.849 1335 E CB 0.026 29.667 29.700 -0.098 0.000 0.774 1335 E HN 0.695 nan 8.360 nan 0.000 0.506 1336 E N 0.880 121.028 120.200 -0.086 0.000 2.021 1336 E HA -0.182 4.167 4.350 -0.003 0.000 0.189 1336 E C 1.867 178.431 176.600 -0.060 0.000 0.980 1336 E CA 0.771 57.132 56.400 -0.065 0.000 0.803 1336 E CB -0.586 29.075 29.700 -0.064 0.000 0.766 1336 E HN 0.365 nan 8.360 nan 0.000 0.449 1337 E N 0.879 121.040 120.200 -0.065 0.000 2.114 1337 E HA -0.166 4.183 4.350 -0.003 0.000 0.199 1337 E C 2.269 178.835 176.600 -0.058 0.000 1.008 1337 E CA 1.723 58.088 56.400 -0.058 0.000 0.810 1337 E CB -0.054 29.609 29.700 -0.061 0.000 0.739 1337 E HN 0.053 nan 8.360 nan 0.000 0.456 1338 V N 0.734 120.608 119.914 -0.067 0.000 2.453 1338 V HA -0.188 3.930 4.120 -0.003 0.000 0.247 1338 V C 2.203 178.257 176.094 -0.067 0.000 1.048 1338 V CA 1.620 63.877 62.300 -0.071 0.000 1.049 1338 V CB -0.514 31.261 31.823 -0.080 0.000 0.672 1338 V HN 0.307 nan 8.190 nan 0.000 0.457 1339 A N 0.123 122.908 122.820 -0.058 0.000 1.897 1339 A HA 0.000 4.318 4.320 -0.003 0.000 0.215 1339 A C 2.428 179.990 177.584 -0.036 0.000 1.181 1339 A CA 1.783 53.794 52.037 -0.045 0.000 0.620 1339 A CB -0.721 18.259 19.000 -0.033 0.000 0.821 1339 A HN 0.519 nan 8.150 nan 0.000 0.443 1340 A N 0.158 122.955 122.820 -0.037 0.000 1.865 1340 A HA -0.189 4.129 4.320 -0.003 0.000 0.217 1340 A C 2.191 179.756 177.584 -0.031 0.000 1.191 1340 A CA 2.240 54.257 52.037 -0.033 0.000 0.623 1340 A CB -0.474 18.505 19.000 -0.035 0.000 0.826 1340 A HN 0.464 nan 8.150 nan 0.000 0.444 1341 R N -0.127 120.352 120.500 -0.035 0.000 2.152 1341 R HA -0.053 4.285 4.340 -0.003 0.000 0.232 1341 R C 2.151 178.434 176.300 -0.027 0.000 1.117 1341 R CA 1.828 57.909 56.100 -0.031 0.000 0.981 1341 R CB -0.523 29.756 30.300 -0.035 0.000 0.870 1341 R HN 0.534 nan 8.270 nan 0.000 0.451 1342 R N -0.776 119.703 120.500 -0.034 0.000 2.090 1342 R HA 0.053 4.391 4.340 -0.003 0.000 0.228 1342 R C 1.783 178.076 176.300 -0.012 0.000 1.110 1342 R CA 1.463 57.545 56.100 -0.030 0.000 0.973 1342 R CB -0.197 30.074 30.300 -0.048 0.000 0.869 1342 R HN 0.307 nan 8.270 nan 0.000 0.440 1343 A N 0.984 123.796 122.820 -0.013 0.000 2.030 1343 A HA 0.020 4.339 4.320 -0.003 0.000 0.215 1343 A C 0.933 178.514 177.584 -0.005 0.000 1.164 1343 A CA 0.024 52.058 52.037 -0.005 0.000 0.697 1343 A CB -0.248 18.746 19.000 -0.010 0.000 0.827 1343 A HN 0.318 nan 8.150 nan 0.000 0.457 1344 R N 0.110 120.603 120.500 -0.012 0.000 2.531 1344 R HA 0.447 4.785 4.340 -0.003 0.000 0.273 1344 R C -1.567 174.732 176.300 -0.001 0.000 1.070 1344 R CA -0.113 55.977 56.100 -0.017 0.000 1.112 1344 R CB 0.713 30.996 30.300 -0.028 0.000 1.049 1344 R HN -0.016 nan 8.270 nan 0.000 0.508 1345 V N 4.200 124.115 119.914 0.000 0.000 2.357 1345 V HA 0.198 4.316 4.120 -0.003 0.000 0.284 1345 V C -0.330 175.785 176.094 0.035 0.000 1.018 1345 V CA -0.745 61.579 62.300 0.040 0.000 0.841 1345 V CB 1.688 33.568 31.823 0.095 0.000 0.991 1345 V HN 0.575 nan 8.190 nan 0.000 0.437 1346 V N 5.282 125.220 119.914 0.040 0.000 2.320 1346 V HA 0.223 4.341 4.120 -0.003 0.000 0.265 1346 V C 0.109 176.252 176.094 0.081 0.000 1.048 1346 V CA -0.548 61.776 62.300 0.041 0.000 0.865 1346 V CB 0.698 32.526 31.823 0.009 0.000 1.043 1346 V HN 0.831 nan 8.190 nan 0.000 0.474 1347 W N 4.745 126.002 121.300 -0.070 0.000 2.202 1347 W HA 0.289 4.948 4.660 -0.002 0.000 0.332 1347 W C -0.080 176.435 176.519 -0.006 0.000 1.263 1347 W CA -0.367 56.969 57.345 -0.015 0.000 1.223 1347 W CB 1.535 30.999 29.460 0.007 0.000 1.128 1347 W HN 0.535 nan 8.180 nan 0.000 0.573 1348 c N 5.694 124.154 118.600 -0.233 0.000 2.264 1348 c HA 0.692 5.260 4.570 -0.003 0.000 0.324 1348 c C 0.352 174.467 174.090 0.041 0.000 1.267 1348 c CA -0.386 55.891 56.329 -0.087 0.000 1.618 1348 c CB -0.860 41.549 42.510 -0.169 0.000 2.278 1348 c HN 0.566 nan 8.230 nan 0.000 0.499 1349 A N 5.181 128.080 122.820 0.131 0.000 2.309 1349 A HA 0.657 4.975 4.320 -0.003 0.000 0.298 1349 A C -0.469 177.146 177.584 0.052 0.000 1.165 1349 A CA -0.296 51.833 52.037 0.152 0.000 0.821 1349 A CB 0.668 19.768 19.000 0.166 0.000 1.102 1349 A HN 0.807 nan 8.150 nan 0.000 0.500 1350 V N 2.906 122.844 119.914 0.039 0.000 2.318 1350 V HA 0.621 4.739 4.120 -0.003 0.000 0.271 1350 V C 0.873 176.954 176.094 -0.022 0.000 1.030 1350 V CA 0.879 63.167 62.300 -0.020 0.000 0.844 1350 V CB -0.410 31.385 31.823 -0.047 0.000 1.015 1350 V HN 1.927 nan 8.190 nan 0.000 0.460 1351 G N 4.917 113.697 108.800 -0.034 0.000 2.712 1351 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.683 1351 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.683 1351 G C 0.080 174.980 174.900 0.001 0.000 1.320 1351 G CA -0.002 45.077 45.100 -0.036 0.000 0.847 1351 G HN 0.617 nan 8.290 nan 0.000 0.553 1352 E N -0.126 120.074 120.200 0.000 0.000 2.152 1352 E HA 0.018 4.367 4.350 -0.003 0.000 0.192 1352 E C 2.703 179.324 176.600 0.034 0.000 0.983 1352 E CA 1.900 58.308 56.400 0.015 0.000 0.818 1352 E CB -0.055 29.649 29.700 0.007 0.000 0.758 1352 E HN 0.608 nan 8.360 nan 0.000 0.467 1353 Q N 0.243 120.068 119.800 0.043 0.000 2.083 1353 Q HA -0.089 4.250 4.340 -0.003 0.000 0.198 1353 Q C 1.940 177.990 176.000 0.083 0.000 0.969 1353 Q CA 0.968 56.810 55.803 0.064 0.000 0.838 1353 Q CB 0.045 28.827 28.738 0.074 0.000 0.900 1353 Q HN 0.313 nan 8.270 nan 0.000 0.436 1354 E N 0.514 120.768 120.200 0.089 0.000 2.077 1354 E HA -0.207 4.141 4.350 -0.003 0.000 0.193 1354 E C 1.974 178.647 176.600 0.120 0.000 0.989 1354 E CA 0.816 57.286 56.400 0.117 0.000 0.800 1354 E CB -0.088 29.686 29.700 0.124 0.000 0.746 1354 E HN 0.180 nan 8.360 nan 0.000 0.452 1355 L N 1.322 122.600 121.223 0.091 0.000 2.083 1355 L HA -0.164 4.174 4.340 -0.003 0.000 0.209 1355 L C 2.349 179.262 176.870 0.073 0.000 1.083 1355 L CA 1.648 56.537 54.840 0.082 0.000 0.752 1355 L CB -0.334 41.756 42.059 0.051 0.000 0.899 1355 L HN -0.090 nan 8.230 nan 0.000 0.433 1356 R N -0.359 120.181 120.500 0.067 0.000 2.073 1356 R HA -0.208 4.131 4.340 -0.003 0.000 0.234 1356 R C 2.457 178.802 176.300 0.075 0.000 1.134 1356 R CA 1.918 58.053 56.100 0.057 0.000 0.952 1356 R CB -0.244 30.089 30.300 0.055 0.000 0.850 1356 R HN 0.399 nan 8.270 nan 0.000 0.433 1357 K N -0.292 120.175 120.400 0.113 0.000 2.026 1357 K HA -0.187 4.132 4.320 -0.003 0.000 0.208 1357 K C 2.183 178.890 176.600 0.179 0.000 1.048 1357 K CA 1.664 58.053 56.287 0.169 0.000 0.929 1357 K CB -0.483 32.128 32.500 0.185 0.000 0.713 1357 K HN 0.310 nan 8.250 nan 0.000 0.439 1358 c N 1.744 120.451 118.600 0.177 0.000 2.393 1358 c HA -0.129 4.440 4.570 -0.003 0.000 0.276 1358 c C 2.434 176.568 174.090 0.074 0.000 1.215 1358 c CA 1.500 57.945 56.329 0.193 0.000 1.743 1358 c CB -1.359 41.263 42.510 0.187 0.000 2.044 1358 c HN 0.591 nan 8.230 nan 0.000 0.464 1359 N N 0.250 118.968 118.700 0.030 0.000 2.205 1359 N HA -0.146 4.593 4.740 -0.003 0.000 0.186 1359 N C 1.829 177.289 175.510 -0.085 0.000 1.015 1359 N CA 1.332 54.366 53.050 -0.027 0.000 0.862 1359 N CB -0.544 37.936 38.487 -0.012 0.000 0.986 1359 N HN 0.720 nan 8.380 nan 0.000 0.429 1360 Q N -0.905 118.835 119.800 -0.099 0.000 2.020 1360 Q HA -0.158 4.181 4.340 -0.003 0.000 0.202 1360 Q C 1.836 177.535 176.000 -0.502 0.000 0.982 1360 Q CA 1.091 56.739 55.803 -0.258 0.000 0.838 1360 Q CB -0.257 28.351 28.738 -0.217 0.000 0.899 1360 Q HN 0.434 nan 8.270 nan 0.000 0.423 1361 W N 1.248 122.062 121.300 -0.809 0.000 2.317 1361 W HA -0.241 4.418 4.660 -0.003 0.000 0.318 1361 W C 2.519 178.779 176.519 -0.433 0.000 1.227 1361 W CA 1.704 58.536 57.345 -0.855 0.000 1.269 1361 W CB -1.000 28.216 29.460 -0.408 0.000 1.155 1361 W HN 0.038 nan 8.180 nan 0.000 0.484 1362 S N -0.062 115.492 115.700 -0.242 0.000 2.372 1362 S HA -0.200 4.268 4.470 -0.003 0.000 0.227 1362 S C 2.130 176.624 174.600 -0.177 0.000 1.044 1362 S CA 2.427 60.468 58.200 -0.265 0.000 1.050 1362 S CB -1.213 61.881 63.200 -0.176 0.000 0.901 1362 S HN 0.418 nan 8.310 nan 0.000 0.447 1363 G N 0.735 109.440 108.800 -0.159 0.000 2.450 1363 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.220 1363 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.220 1363 G C 1.113 175.961 174.900 -0.087 0.000 1.130 1363 G CA 0.713 45.743 45.100 -0.116 0.000 0.760 1363 G HN 0.481 nan 8.290 nan 0.000 0.557 1364 L N 1.449 122.603 121.223 -0.116 0.000 2.592 1364 L HA 0.203 4.541 4.340 -0.003 0.000 0.227 1364 L C 2.525 179.509 176.870 0.191 0.000 1.127 1364 L CA 1.097 55.943 54.840 0.010 0.000 0.884 1364 L CB 0.137 42.103 42.059 -0.156 0.000 1.065 1364 L HN 0.372 nan 8.230 nan 0.000 0.457 1365 S N -1.299 114.458 115.700 0.095 0.000 2.575 1365 S HA 0.029 4.498 4.470 -0.003 0.000 0.215 1365 S C 0.516 175.182 174.600 0.110 0.000 0.966 1365 S CA -0.170 58.122 58.200 0.154 0.000 0.911 1365 S CB -0.310 62.836 63.200 -0.090 0.000 0.780 1365 S HN 0.482 nan 8.310 nan 0.000 0.514 1366 E N 0.322 120.567 120.200 0.076 0.000 2.320 1366 E HA -0.188 4.160 4.350 -0.003 0.000 0.234 1366 E C 0.851 177.453 176.600 0.004 0.000 1.183 1366 E CA 0.194 56.621 56.400 0.045 0.000 0.713 1366 E CB -2.243 27.498 29.700 0.067 0.000 1.226 1366 E HN 0.946 nan 8.360 nan 0.000 0.382 1367 G N -0.219 108.569 108.800 -0.021 0.000 2.220 1367 G HA2 -0.464 3.494 3.960 -0.003 0.000 0.269 1367 G HA3 -0.464 3.494 3.960 -0.003 0.000 0.269 1367 G C 0.965 175.833 174.900 -0.053 0.000 0.977 1367 G CA 1.136 46.212 45.100 -0.039 0.000 0.634 1367 G HN 0.998 nan 8.290 nan 0.000 0.539 1368 S N -1.333 114.336 115.700 -0.052 0.000 2.527 1368 S HA 0.523 4.991 4.470 -0.003 0.000 0.222 1368 S C 0.606 175.145 174.600 -0.102 0.000 0.985 1368 S CA 0.811 58.980 58.200 -0.053 0.000 0.921 1368 S CB 0.702 63.891 63.200 -0.018 0.000 0.772 1368 S HN 0.980 nan 8.310 nan 0.000 0.529 1369 V N 1.114 120.909 119.914 -0.197 0.000 2.577 1369 V HA 0.614 4.732 4.120 -0.003 0.000 0.303 1369 V C -0.263 175.671 176.094 -0.267 0.000 1.042 1369 V CA -0.492 61.609 62.300 -0.332 0.000 0.872 1369 V CB 1.605 32.931 31.823 -0.828 0.000 0.998 1369 V HN 0.364 nan 8.190 nan 0.000 0.423 1370 T N 3.634 118.093 114.554 -0.159 0.000 2.926 1370 T HA 0.617 4.965 4.350 -0.003 0.000 0.289 1370 T C -0.765 173.912 174.700 -0.039 0.000 1.054 1370 T CA -0.229 61.812 62.100 -0.099 0.000 1.015 1370 T CB 1.364 70.198 68.868 -0.057 0.000 1.167 1370 T HN 0.763 nan 8.240 nan 0.000 0.526 1371 c N 2.520 121.115 118.600 -0.010 0.000 2.456 1371 c HA 0.882 5.450 4.570 -0.003 0.000 0.325 1371 c C 0.365 174.475 174.090 0.034 0.000 1.217 1371 c CA -0.861 55.497 56.329 0.048 0.000 1.687 1371 c CB 0.666 43.209 42.510 0.055 0.000 2.270 1371 c HN 0.970 nan 8.230 nan 0.000 0.499 1372 S N 1.372 117.100 115.700 0.046 0.000 2.677 1372 S HA 0.951 5.419 4.470 -0.003 0.000 0.304 1372 S C -0.648 173.969 174.600 0.029 0.000 1.108 1372 S CA -0.463 57.751 58.200 0.023 0.000 0.944 1372 S CB 1.658 64.860 63.200 0.004 0.000 1.127 1372 S HN 1.159 nan 8.310 nan 0.000 0.511 1373 S N -0.541 115.164 115.700 0.008 0.000 2.556 1373 S HA 0.917 5.386 4.470 -0.003 0.000 0.271 1373 S C -0.675 173.913 174.600 -0.020 0.000 1.135 1373 S CA -0.627 57.575 58.200 0.004 0.000 0.858 1373 S CB 1.159 64.368 63.200 0.014 0.000 1.114 1373 S HN 1.726 nan 8.310 nan 0.000 0.468 1374 A N 0.857 123.657 122.820 -0.034 0.000 2.530 1374 A HA 0.852 5.171 4.320 -0.003 0.000 0.288 1374 A C 0.551 178.099 177.584 -0.061 0.000 1.172 1374 A CA -0.269 51.738 52.037 -0.050 0.000 0.733 1374 A CB 0.880 19.841 19.000 -0.063 0.000 1.320 1374 A HN 1.499 nan 8.150 nan 0.000 0.419 1375 S N -0.844 114.814 115.700 -0.070 0.000 2.548 1375 S HA 0.241 4.709 4.470 -0.003 0.000 0.215 1375 S C 0.713 175.244 174.600 -0.114 0.000 0.976 1375 S CA 0.849 58.997 58.200 -0.085 0.000 0.908 1375 S CB -0.561 62.594 63.200 -0.076 0.000 0.781 1375 S HN 1.563 nan 8.310 nan 0.000 0.519 1376 T N -2.771 111.715 114.554 -0.114 0.000 2.883 1376 T HA 0.469 4.818 4.350 -0.003 0.000 0.296 1376 T C 0.750 175.352 174.700 -0.164 0.000 1.117 1376 T CA -0.431 61.586 62.100 -0.138 0.000 1.006 1376 T CB 1.289 70.087 68.868 -0.116 0.000 1.191 1376 T HN -0.132 nan 8.240 nan 0.000 0.508 1377 T N 0.867 115.281 114.554 -0.233 0.000 2.708 1377 T HA -0.089 4.259 4.350 -0.003 0.000 0.266 1377 T C 1.688 176.210 174.700 -0.296 0.000 1.037 1377 T CA 1.871 63.758 62.100 -0.355 0.000 1.146 1377 T CB -0.368 68.037 68.868 -0.772 0.000 0.865 1377 T HN 0.755 nan 8.240 nan 0.000 0.435 1378 E N 0.794 120.855 120.200 -0.230 0.000 2.077 1378 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 1378 E C 2.026 178.559 176.600 -0.111 0.000 0.989 1378 E CA 1.148 57.467 56.400 -0.136 0.000 0.800 1378 E CB -0.167 29.491 29.700 -0.070 0.000 0.746 1378 E HN 0.403 nan 8.360 nan 0.000 0.452 1379 D N 0.189 120.524 120.400 -0.108 0.000 2.178 1379 D HA -0.133 4.505 4.640 -0.003 0.000 0.201 1379 D C 1.859 178.103 176.300 -0.094 0.000 0.980 1379 D CA 0.677 54.623 54.000 -0.089 0.000 0.842 1379 D CB -0.373 40.378 40.800 -0.082 0.000 0.948 1379 D HN 0.172 nan 8.370 nan 0.000 0.472 1380 c N 0.057 118.588 118.600 -0.116 0.000 2.446 1380 c HA -0.025 4.543 4.570 -0.003 0.000 0.277 1380 c C 2.765 176.784 174.090 -0.119 0.000 1.275 1380 c CA -0.010 56.248 56.329 -0.118 0.000 1.727 1380 c CB -0.893 41.532 42.510 -0.141 0.000 2.010 1380 c HN 0.338 nan 8.230 nan 0.000 0.486 1381 I N 1.275 121.771 120.570 -0.124 0.000 2.208 1381 I HA -0.232 3.937 4.170 -0.003 0.000 0.245 1381 I C 2.724 178.793 176.117 -0.080 0.000 1.097 1381 I CA 1.671 62.909 61.300 -0.104 0.000 1.363 1381 I CB -0.534 37.410 38.000 -0.093 0.000 1.051 1381 I HN 0.289 nan 8.210 nan 0.000 0.413 1382 A N 0.887 123.663 122.820 -0.073 0.000 1.940 1382 A HA -0.169 4.150 4.320 -0.003 0.000 0.219 1382 A C 2.295 179.843 177.584 -0.061 0.000 1.176 1382 A CA 1.445 53.444 52.037 -0.063 0.000 0.631 1382 A CB -0.849 18.113 19.000 -0.062 0.000 0.814 1382 A HN 0.401 nan 8.150 nan 0.000 0.446 1383 L N -0.637 120.549 121.223 -0.062 0.000 2.083 1383 L HA -0.164 4.174 4.340 -0.003 0.000 0.209 1383 L C 2.485 179.332 176.870 -0.039 0.000 1.083 1383 L CA 1.053 55.864 54.840 -0.047 0.000 0.752 1383 L CB -0.565 41.464 42.059 -0.050 0.000 0.899 1383 L HN 0.251 nan 8.230 nan 0.000 0.433 1384 V N -0.002 119.876 119.914 -0.060 0.000 2.358 1384 V HA -0.253 3.865 4.120 -0.003 0.000 0.246 1384 V C 2.382 178.460 176.094 -0.027 0.000 1.047 1384 V CA 1.444 63.711 62.300 -0.056 0.000 1.035 1384 V CB -0.375 31.394 31.823 -0.090 0.000 0.658 1384 V HN 0.340 nan 8.190 nan 0.000 0.452 1385 L N -0.469 120.735 121.223 -0.031 0.000 2.127 1385 L HA -0.215 4.123 4.340 -0.003 0.000 0.211 1385 L C 2.368 179.241 176.870 0.006 0.000 1.089 1385 L CA 1.658 56.489 54.840 -0.015 0.000 0.757 1385 L CB -0.488 41.554 42.059 -0.028 0.000 0.899 1385 L HN 0.266 nan 8.230 nan 0.000 0.434 1386 K N -0.619 119.780 120.400 -0.003 0.000 2.426 1386 K HA 0.115 4.434 4.320 -0.003 0.000 0.193 1386 K C 1.255 177.961 176.600 0.177 0.000 1.028 1386 K CA 0.588 56.889 56.287 0.024 0.000 1.047 1386 K CB 0.363 32.826 32.500 -0.061 0.000 0.821 1386 K HN 0.344 nan 8.250 nan 0.000 0.513 1387 G N 1.109 109.971 108.800 0.103 0.000 2.159 1387 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.256 1387 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.256 1387 G C 0.583 175.533 174.900 0.082 0.000 0.977 1387 G CA 0.551 45.710 45.100 0.099 0.000 0.652 1387 G HN 0.424 nan 8.290 nan 0.000 0.531 1388 E N -0.125 120.121 120.200 0.077 0.000 2.299 1388 E HA 0.466 4.814 4.350 -0.003 0.000 0.193 1388 E C 1.414 178.022 176.600 0.013 0.000 0.998 1388 E CA 0.831 57.262 56.400 0.052 0.000 0.851 1388 E CB 0.146 29.877 29.700 0.051 0.000 0.795 1388 E HN 0.863 nan 8.360 nan 0.000 0.492 1389 A N -0.214 122.601 122.820 -0.008 0.000 2.532 1389 A HA 0.408 4.726 4.320 -0.003 0.000 0.290 1389 A C -0.651 176.902 177.584 -0.052 0.000 1.143 1389 A CA -0.717 51.298 52.037 -0.036 0.000 0.728 1389 A CB 1.320 20.280 19.000 -0.067 0.000 1.317 1389 A HN -0.072 nan 8.150 nan 0.000 0.414 1390 D N -0.831 119.521 120.400 -0.081 0.000 2.504 1390 D HA 0.443 5.081 4.640 -0.003 0.000 0.276 1390 D C 0.381 176.586 176.300 -0.159 0.000 1.073 1390 D CA 1.390 55.345 54.000 -0.077 0.000 0.905 1390 D CB 1.066 41.852 40.800 -0.023 0.000 1.350 1390 D HN 0.837 nan 8.370 nan 0.000 0.496 1391 A N 0.752 123.381 122.820 -0.320 0.000 2.606 1391 A HA 0.793 5.111 4.320 -0.003 0.000 0.293 1391 A C -1.165 175.744 177.584 -1.125 0.000 1.082 1391 A CA -0.648 51.039 52.037 -0.583 0.000 0.685 1391 A CB 1.849 20.543 19.000 -0.509 0.000 1.284 1391 A HN 0.088 nan 8.150 nan 0.000 0.408 1392 M N -0.571 118.438 119.600 -0.984 0.000 2.790 1392 M HA 0.618 5.096 4.480 -0.003 0.000 0.272 1392 M C -1.081 175.041 176.300 -0.298 0.000 1.168 1392 M CA -0.452 54.293 55.300 -0.925 0.000 0.829 1392 M CB 1.496 33.788 32.600 -0.513 0.000 1.675 1392 M HN 0.692 nan 8.290 nan 0.000 0.505 1393 S N 1.368 117.066 115.700 -0.003 0.000 2.475 1393 S HA 0.778 5.246 4.470 -0.003 0.000 0.281 1393 S C -0.996 173.690 174.600 0.143 0.000 1.198 1393 S CA -0.618 57.683 58.200 0.167 0.000 1.063 1393 S CB 0.245 63.593 63.200 0.246 0.000 0.972 1393 S HN 0.561 nan 8.310 nan 0.000 0.486 1394 L N 3.572 124.884 121.223 0.148 0.000 2.386 1394 L HA 0.442 4.780 4.340 -0.003 0.000 0.271 1394 L C -0.136 176.746 176.870 0.020 0.000 0.993 1394 L CA -1.074 53.840 54.840 0.124 0.000 0.819 1394 L CB 1.939 44.072 42.059 0.123 0.000 1.294 1394 L HN 0.608 nan 8.230 nan 0.000 0.414 1395 D N 1.370 121.675 120.400 -0.158 0.000 2.548 1395 D HA 0.006 4.644 4.640 -0.003 0.000 0.231 1395 D C 1.370 177.650 176.300 -0.033 0.000 1.142 1395 D CA 1.140 54.894 54.000 -0.411 0.000 0.866 1395 D CB 1.454 42.128 40.800 -0.210 0.000 1.190 1395 D HN 0.662 nan 8.370 nan 0.000 0.469 1396 G N 2.657 111.480 108.800 0.038 0.000 2.503 1396 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.221 1396 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.221 1396 G C 1.442 176.423 174.900 0.135 0.000 1.131 1396 G CA 0.886 46.032 45.100 0.077 0.000 0.756 1396 G HN 0.645 nan 8.290 nan 0.000 0.572 1397 G N -0.083 108.764 108.800 0.078 0.000 2.446 1397 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.217 1397 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.217 1397 G C 1.590 176.518 174.900 0.047 0.000 1.168 1397 G CA 1.080 46.210 45.100 0.050 0.000 0.771 1397 G HN 0.472 nan 8.290 nan 0.000 0.551 1398 Y N 0.242 120.624 120.300 0.137 0.000 2.457 1398 Y HA 0.102 4.651 4.550 -0.003 0.000 0.292 1398 Y C 2.850 178.799 175.900 0.082 0.000 1.125 1398 Y CA -0.208 57.946 58.100 0.090 0.000 1.254 1398 Y CB -0.554 37.925 38.460 0.032 0.000 1.012 1398 Y HN 0.040 nan 8.280 nan 0.000 0.555 1399 V N -0.549 119.510 119.914 0.242 0.000 2.407 1399 V HA -0.334 3.785 4.120 -0.003 0.000 0.248 1399 V C 2.103 178.301 176.094 0.172 0.000 1.055 1399 V CA 1.978 64.391 62.300 0.189 0.000 1.049 1399 V CB -0.847 31.112 31.823 0.227 0.000 0.662 1399 V HN 0.480 nan 8.190 nan 0.000 0.455 1400 Y N 1.434 121.814 120.300 0.133 0.000 2.114 1400 Y HA -0.279 4.269 4.550 -0.003 0.000 0.284 1400 Y C 2.669 178.475 175.900 -0.157 0.000 1.143 1400 Y CA 2.467 60.609 58.100 0.070 0.000 1.135 1400 Y CB -0.643 37.944 38.460 0.212 0.000 0.980 1400 Y HN 0.209 nan 8.280 nan 0.000 0.499 1401 T N 0.868 115.431 114.554 0.015 0.000 2.708 1401 T HA -0.187 4.161 4.350 -0.003 0.000 0.266 1401 T C 2.110 176.704 174.700 -0.176 0.000 1.037 1401 T CA 1.526 63.577 62.100 -0.081 0.000 1.146 1401 T CB -0.846 68.099 68.868 0.128 0.000 0.865 1401 T HN 0.516 nan 8.240 nan 0.000 0.435 1402 A N 1.380 124.143 122.820 -0.095 0.000 1.908 1402 A HA 0.050 4.368 4.320 -0.003 0.000 0.218 1402 A C 2.610 180.067 177.584 -0.211 0.000 1.181 1402 A CA 1.997 53.970 52.037 -0.107 0.000 0.627 1402 A CB -1.394 17.580 19.000 -0.042 0.000 0.818 1402 A HN 0.520 nan 8.150 nan 0.000 0.445 1403 G N -0.252 108.314 108.800 -0.391 0.000 2.421 1403 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.216 1403 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.216 1403 G C 1.549 176.006 174.900 -0.737 0.000 1.171 1403 G CA 1.013 45.707 45.100 -0.676 0.000 0.775 1403 G HN 0.424 nan 8.290 nan 0.000 0.543 1404 K N 0.159 120.059 120.400 -0.834 0.000 2.209 1404 K HA -0.036 4.283 4.320 -0.003 0.000 0.204 1404 K C 2.216 178.686 176.600 -0.216 0.000 1.048 1404 K CA 0.615 56.619 56.287 -0.472 0.000 0.940 1404 K CB -0.775 31.454 32.500 -0.451 0.000 0.729 1404 K HN 0.362 nan 8.250 nan 0.000 0.451 1405 c N 0.166 118.651 118.600 -0.192 0.000 2.576 1405 c HA 0.176 4.744 4.570 -0.003 0.000 0.267 1405 c C 1.498 175.557 174.090 -0.052 0.000 1.364 1405 c CA 0.397 56.673 56.329 -0.089 0.000 1.723 1405 c CB -1.129 41.336 42.510 -0.075 0.000 1.778 1405 c HN 0.711 nan 8.230 nan 0.000 0.572 1406 G N 0.330 109.091 108.800 -0.064 0.000 2.141 1406 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.231 1406 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.231 1406 G C -0.021 174.872 174.900 -0.012 0.000 0.984 1406 G CA -0.223 44.871 45.100 -0.009 0.000 0.660 1406 G HN 0.490 nan 8.290 nan 0.000 0.525 1407 L N 0.208 121.407 121.223 -0.039 0.000 2.439 1407 L HA 0.785 5.123 4.340 -0.003 0.000 0.259 1407 L C 0.963 177.834 176.870 0.003 0.000 1.129 1407 L CA -1.012 53.813 54.840 -0.025 0.000 0.803 1407 L CB 1.481 43.513 42.059 -0.045 0.000 1.161 1407 L HN 0.312 nan 8.230 nan 0.000 0.462 1408 V N -1.384 118.535 119.914 0.007 0.000 2.876 1408 V HA 0.632 4.750 4.120 -0.003 0.000 0.312 1408 V C -2.658 173.435 176.094 -0.003 0.000 1.085 1408 V CA -2.257 60.060 62.300 0.029 0.000 0.945 1408 V CB 1.629 33.471 31.823 0.030 0.000 1.017 1408 V HN 0.534 nan 8.190 nan 0.000 0.428 1409 P HA 0.347 nan 4.420 nan 0.000 0.275 1409 P C 0.074 177.336 177.300 -0.064 0.000 1.228 1409 P CA -0.024 63.014 63.100 -0.104 0.000 0.786 1409 P CB 2.110 33.648 31.700 -0.270 0.000 0.927 1410 V N 1.925 121.811 119.914 -0.046 0.000 3.029 1410 V HA 0.232 4.351 4.120 -0.003 0.000 0.230 1410 V C 0.819 176.923 176.094 0.015 0.000 1.254 1410 V CA 0.708 63.012 62.300 0.008 0.000 1.276 1410 V CB -0.096 31.759 31.823 0.053 0.000 1.080 1410 V HN 0.369 nan 8.190 nan 0.000 0.495 1411 L N -0.608 120.635 121.223 0.035 0.000 2.409 1411 L HA 0.874 5.212 4.340 -0.003 0.000 0.255 1411 L C -0.795 176.093 176.870 0.029 0.000 1.027 1411 L CA -0.644 54.218 54.840 0.038 0.000 0.834 1411 L CB 2.123 44.237 42.059 0.093 0.000 1.426 1411 L HN 0.156 nan 8.230 nan 0.000 0.411 1412 A N 0.214 123.050 122.820 0.028 0.000 2.340 1412 A HA 0.583 4.901 4.320 -0.003 0.000 0.331 1412 A C -0.701 176.880 177.584 -0.005 0.000 1.140 1412 A CA -0.542 51.528 52.037 0.056 0.000 0.801 1412 A CB 0.787 19.879 19.000 0.155 0.000 1.234 1412 A HN 0.727 nan 8.150 nan 0.000 0.469 1413 E N 1.844 122.035 120.200 -0.016 0.000 2.328 1413 E HA 0.019 4.367 4.350 -0.003 0.000 0.265 1413 E C -0.641 175.588 176.600 -0.617 0.000 1.057 1413 E CA -0.098 56.148 56.400 -0.257 0.000 0.916 1413 E CB 0.396 30.013 29.700 -0.138 0.000 0.993 1413 E HN 0.464 nan 8.360 nan 0.000 0.446 1414 N N 2.750 121.137 118.700 -0.522 0.000 2.434 1414 N HA 0.135 4.873 4.740 -0.003 0.000 0.272 1414 N C -1.368 173.821 175.510 -0.535 0.000 1.040 1414 N CA -0.145 52.610 53.050 -0.492 0.000 0.956 1414 N CB 0.453 38.797 38.487 -0.237 0.000 1.108 1414 N HN 0.249 nan 8.380 nan 0.000 0.481 1415 Y N 0.769 121.021 120.300 -0.081 0.000 2.453 1415 Y HA 0.382 4.930 4.550 -0.003 0.000 0.326 1415 Y C 1.086 176.937 175.900 -0.080 0.000 1.186 1415 Y CA -0.786 57.250 58.100 -0.108 0.000 1.200 1415 Y CB 0.715 39.110 38.460 -0.108 0.000 1.247 1415 Y HN 0.110 nan 8.280 nan 0.000 0.482 1416 K N 0.701 121.147 120.400 0.078 0.000 2.436 1416 K HA -0.007 4.311 4.320 -0.003 0.000 0.275 1416 K C 1.311 177.926 176.600 0.026 0.000 0.999 1416 K CA 0.592 56.890 56.287 0.018 0.000 0.980 1416 K CB 1.101 33.595 32.500 -0.010 0.000 0.919 1416 K HN 0.956 nan 8.250 nan 0.000 0.484 1417 S N 2.535 118.240 115.700 0.008 0.000 2.377 1417 S HA -0.266 4.202 4.470 -0.003 0.000 0.224 1417 S C 0.908 175.509 174.600 0.002 0.000 1.042 1417 S CA 1.497 59.701 58.200 0.007 0.000 1.086 1417 S CB 0.060 63.258 63.200 -0.004 0.000 0.995 1417 S HN 0.629 nan 8.310 nan 0.000 0.428 1418 Q N -0.021 119.773 119.800 -0.009 0.000 2.306 1418 Q HA 0.458 4.797 4.340 -0.003 0.000 0.269 1418 Q C 1.090 177.074 176.000 -0.028 0.000 1.053 1418 Q CA -0.400 55.392 55.803 -0.018 0.000 0.879 1418 Q CB 1.203 29.930 28.738 -0.019 0.000 1.344 1418 Q HN 0.559 nan 8.270 nan 0.000 0.464 1419 Q N -0.274 119.502 119.800 -0.041 0.000 2.197 1419 Q HA -0.055 4.283 4.340 -0.003 0.000 0.207 1419 Q C -0.150 175.824 176.000 -0.045 0.000 0.984 1419 Q CA 1.357 57.127 55.803 -0.055 0.000 0.869 1419 Q CB -0.196 28.503 28.738 -0.066 0.000 0.906 1419 Q HN 0.539 nan 8.270 nan 0.000 0.426 1420 S N 0.318 115.998 115.700 -0.034 0.000 2.415 1420 S HA 0.559 5.028 4.470 -0.003 0.000 0.313 1420 S C -0.524 174.062 174.600 -0.024 0.000 1.067 1420 S CA -0.708 57.475 58.200 -0.029 0.000 1.099 1420 S CB 1.567 64.753 63.200 -0.024 0.000 0.991 1420 S HN 0.068 nan 8.310 nan 0.000 0.491 1421 S N 1.621 117.306 115.700 -0.025 0.000 2.537 1421 S HA 0.360 4.829 4.470 -0.003 0.000 0.271 1421 S C -1.540 173.047 174.600 -0.022 0.000 1.148 1421 S CA -0.825 57.362 58.200 -0.021 0.000 0.868 1421 S CB 1.094 64.282 63.200 -0.019 0.000 1.115 1421 S HN 0.719 nan 8.310 nan 0.000 0.461 1422 D N 3.323 123.712 120.400 -0.019 0.000 2.329 1422 D HA 0.352 4.990 4.640 -0.003 0.000 0.246 1422 D C -2.143 174.146 176.300 -0.020 0.000 1.111 1422 D CA -0.917 53.072 54.000 -0.018 0.000 0.941 1422 D CB 0.276 41.067 40.800 -0.015 0.000 1.169 1422 D HN 0.280 nan 8.370 nan 0.000 0.441 1423 P HA 0.076 nan 4.420 nan 0.000 0.268 1423 P C -0.566 176.723 177.300 -0.019 0.000 1.205 1423 P CA -0.041 63.046 63.100 -0.021 0.000 0.771 1423 P CB 0.671 32.360 31.700 -0.019 0.000 0.858 1424 D N 3.381 123.769 120.400 -0.020 0.000 2.462 1424 D HA 0.262 4.900 4.640 -0.003 0.000 0.245 1424 D C -1.880 174.410 176.300 -0.016 0.000 1.122 1424 D CA -2.490 51.500 54.000 -0.017 0.000 0.864 1424 D CB 1.098 41.888 40.800 -0.017 0.000 1.098 1424 D HN 0.008 nan 8.370 nan 0.000 0.541 1425 P HA 0.010 nan 4.420 nan 0.000 0.225 1425 P C -0.075 177.220 177.300 -0.007 0.000 1.148 1425 P CA 0.815 63.909 63.100 -0.011 0.000 0.779 1425 P CB 0.223 31.917 31.700 -0.009 0.000 0.780 1426 N N -2.257 116.441 118.700 -0.004 0.000 2.275 1426 N HA 0.043 4.781 4.740 -0.003 0.000 0.236 1426 N C 1.100 176.613 175.510 0.005 0.000 1.154 1426 N CA -0.255 52.797 53.050 0.004 0.000 0.866 1426 N CB -0.560 37.933 38.487 0.008 0.000 1.093 1426 N HN 0.043 nan 8.380 nan 0.000 0.515 1427 c N -0.353 118.242 118.600 -0.009 0.000 2.375 1427 c HA -0.176 4.393 4.570 -0.003 0.000 0.274 1427 c C 2.341 176.423 174.090 -0.013 0.000 1.190 1427 c CA 1.149 57.466 56.329 -0.021 0.000 1.775 1427 c CB -0.844 41.639 42.510 -0.045 0.000 2.067 1427 c HN 0.341 nan 8.230 nan 0.000 0.463 1428 V N 0.517 120.426 119.914 -0.009 0.000 2.688 1428 V HA -0.139 3.979 4.120 -0.003 0.000 0.256 1428 V C 1.810 177.910 176.094 0.010 0.000 1.084 1428 V CA 2.422 64.717 62.300 -0.008 0.000 1.103 1428 V CB -0.583 31.239 31.823 -0.002 0.000 0.688 1428 V HN 0.613 nan 8.190 nan 0.000 0.480 1429 D N -1.123 119.306 120.400 0.049 0.000 2.433 1429 D HA 0.100 4.738 4.640 -0.003 0.000 0.211 1429 D C 1.082 177.505 176.300 0.204 0.000 1.114 1429 D CA -0.106 53.972 54.000 0.130 0.000 0.837 1429 D CB 0.259 41.131 40.800 0.120 0.000 0.984 1429 D HN 0.306 nan 8.370 nan 0.000 0.505 1430 R N 2.691 123.256 120.500 0.108 0.000 2.296 1430 R HA 0.138 4.476 4.340 -0.003 0.000 0.323 1430 R C -2.430 173.943 176.300 0.121 0.000 1.067 1430 R CA -1.174 54.974 56.100 0.080 0.000 0.946 1430 R CB 0.660 30.974 30.300 0.025 0.000 0.991 1430 R HN -0.154 nan 8.270 nan 0.000 0.448 1431 P HA -0.059 nan 4.420 nan 0.000 0.268 1431 P C -0.001 177.343 177.300 0.074 0.000 1.204 1431 P CA -0.131 63.051 63.100 0.136 0.000 0.768 1431 P CB 0.689 32.381 31.700 -0.012 0.000 0.842 1432 V N 0.968 120.935 119.914 0.087 0.000 3.139 1432 V HA 0.080 4.198 4.120 -0.003 0.000 0.307 1432 V C 0.818 176.924 176.094 0.020 0.000 1.095 1432 V CA 0.387 62.709 62.300 0.037 0.000 1.160 1432 V CB -0.167 31.689 31.823 0.055 0.000 1.003 1432 V HN 0.553 nan 8.190 nan 0.000 0.489 1433 E N 1.630 121.846 120.200 0.026 0.000 2.641 1433 E HA 0.444 4.792 4.350 -0.003 0.000 0.224 1433 E C 0.761 177.377 176.600 0.026 0.000 0.951 1433 E CA 0.426 56.835 56.400 0.016 0.000 1.102 1433 E CB 0.883 30.594 29.700 0.017 0.000 1.091 1433 E HN 1.502 nan 8.360 nan 0.000 0.507 1434 G N 0.972 109.819 108.800 0.078 0.000 2.796 1434 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.226 1434 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.226 1434 G C -0.673 174.353 174.900 0.209 0.000 1.381 1434 G CA -0.086 45.072 45.100 0.097 0.000 0.867 1434 G HN 0.219 nan 8.290 nan 0.000 0.552 1435 Y N -3.113 117.215 120.300 0.047 0.000 2.669 1435 Y HA 0.808 5.356 4.550 -0.003 0.000 0.335 1435 Y C -0.162 175.688 175.900 -0.083 0.000 1.116 1435 Y CA -1.887 56.187 58.100 -0.042 0.000 1.081 1435 Y CB 1.036 39.418 38.460 -0.132 0.000 1.297 1435 Y HN 0.600 nan 8.280 nan 0.000 0.484 1436 L N 2.669 123.898 121.223 0.010 0.000 2.264 1436 L HA 0.725 5.063 4.340 -0.003 0.000 0.289 1436 L C 0.072 176.979 176.870 0.062 0.000 1.044 1436 L CA -1.078 53.697 54.840 -0.107 0.000 0.807 1436 L CB 1.292 43.244 42.059 -0.179 0.000 1.192 1436 L HN 0.881 nan 8.230 nan 0.000 0.425 1437 A N 4.372 127.221 122.820 0.048 0.000 2.366 1437 A HA 0.642 4.961 4.320 -0.003 0.000 0.272 1437 A C -0.136 177.545 177.584 0.161 0.000 1.135 1437 A CA -0.406 51.723 52.037 0.153 0.000 0.804 1437 A CB 0.693 19.774 19.000 0.134 0.000 1.064 1437 A HN 0.575 nan 8.150 nan 0.000 0.499 1438 V N -0.978 119.046 119.914 0.183 0.000 3.102 1438 V HA 0.950 5.068 4.120 -0.003 0.000 0.312 1438 V C -0.008 176.213 176.094 0.213 0.000 1.135 1438 V CA -0.582 61.816 62.300 0.162 0.000 1.022 1438 V CB 1.567 33.459 31.823 0.115 0.000 1.056 1438 V HN 1.587 nan 8.190 nan 0.000 0.436 1439 A N 1.897 124.827 122.820 0.184 0.000 2.273 1439 A HA 0.824 5.142 4.320 -0.003 0.000 0.315 1439 A C -0.591 177.032 177.584 0.067 0.000 1.256 1439 A CA -0.584 51.539 52.037 0.144 0.000 0.851 1439 A CB 0.942 20.123 19.000 0.301 0.000 1.172 1439 A HN 1.250 nan 8.150 nan 0.000 0.508 1440 V N 3.550 123.468 119.914 0.005 0.000 2.483 1440 V HA 0.646 4.764 4.120 -0.003 0.000 0.295 1440 V C 0.226 176.360 176.094 0.067 0.000 1.035 1440 V CA -0.428 61.922 62.300 0.083 0.000 0.896 1440 V CB 1.256 33.165 31.823 0.142 0.000 0.986 1440 V HN 0.981 nan 8.190 nan 0.000 0.447 1441 V N 2.077 122.072 119.914 0.135 0.000 3.074 1441 V HA 0.693 4.811 4.120 -0.003 0.000 0.314 1441 V C -0.253 175.924 176.094 0.139 0.000 1.117 1441 V CA -1.344 61.011 62.300 0.093 0.000 1.014 1441 V CB 1.916 33.763 31.823 0.041 0.000 1.057 1441 V HN 0.769 nan 8.190 nan 0.000 0.438 1442 R N 0.443 120.945 120.500 0.004 0.000 2.582 1442 R HA 0.409 4.748 4.340 -0.003 0.000 0.271 1442 R C 1.213 177.428 176.300 -0.141 0.000 1.078 1442 R CA -0.352 55.624 56.100 -0.207 0.000 1.127 1442 R CB 0.619 30.771 30.300 -0.247 0.000 1.038 1442 R HN 0.705 nan 8.270 nan 0.000 0.500 1443 R N 0.565 120.949 120.500 -0.193 0.000 2.189 1443 R HA -0.089 4.249 4.340 -0.003 0.000 0.218 1443 R C 1.619 177.872 176.300 -0.078 0.000 1.074 1443 R CA 1.285 57.323 56.100 -0.102 0.000 0.991 1443 R CB 0.122 30.360 30.300 -0.104 0.000 0.883 1443 R HN 0.659 nan 8.270 nan 0.000 0.457 1444 S N 0.635 116.277 115.700 -0.097 0.000 2.359 1444 S HA -0.181 4.288 4.470 -0.003 0.000 0.223 1444 S C 0.827 175.402 174.600 -0.042 0.000 1.039 1444 S CA 1.177 59.337 58.200 -0.068 0.000 1.042 1444 S CB -0.274 62.883 63.200 -0.072 0.000 0.915 1444 S HN 0.279 nan 8.310 nan 0.000 0.439 1445 D N 1.958 122.335 120.400 -0.038 0.000 2.393 1445 D HA 0.218 4.856 4.640 -0.003 0.000 0.232 1445 D C 1.153 177.447 176.300 -0.011 0.000 1.192 1445 D CA 0.066 54.053 54.000 -0.021 0.000 0.882 1445 D CB 0.947 41.736 40.800 -0.017 0.000 1.038 1445 D HN 0.284 nan 8.370 nan 0.000 0.499 1446 T N -0.247 114.302 114.554 -0.007 0.000 3.085 1446 T HA -0.123 4.225 4.350 -0.003 0.000 0.263 1446 T C 1.660 176.365 174.700 0.008 0.000 1.127 1446 T CA 0.991 63.092 62.100 0.001 0.000 1.103 1446 T CB -0.183 68.685 68.868 -0.000 0.000 0.921 1446 T HN 0.232 nan 8.240 nan 0.000 0.510 1447 S N 0.562 116.265 115.700 0.005 0.000 2.489 1447 S HA 0.195 4.663 4.470 -0.003 0.000 0.228 1447 S C 0.641 175.249 174.600 0.013 0.000 0.995 1447 S CA -0.511 57.694 58.200 0.008 0.000 0.934 1447 S CB -0.662 62.540 63.200 0.003 0.000 0.771 1447 S HN 0.430 nan 8.310 nan 0.000 0.522 1448 L N 3.916 125.148 121.223 0.015 0.000 2.361 1448 L HA 0.467 4.805 4.340 -0.003 0.000 0.278 1448 L C 0.171 177.069 176.870 0.047 0.000 1.113 1448 L CA 0.631 55.485 54.840 0.024 0.000 0.849 1448 L CB 0.457 42.527 42.059 0.019 0.000 1.155 1448 L HN 0.487 nan 8.230 nan 0.000 0.452 1449 T N 0.672 115.260 114.554 0.057 0.000 2.831 1449 T HA 0.166 4.514 4.350 -0.003 0.000 0.287 1449 T C 0.700 175.491 174.700 0.151 0.000 1.070 1449 T CA -0.575 61.590 62.100 0.108 0.000 1.010 1449 T CB 0.317 69.244 68.868 0.098 0.000 1.264 1449 T HN 0.711 nan 8.240 nan 0.000 0.532 1450 W N 1.081 122.406 121.300 0.041 0.000 2.331 1450 W HA -0.178 4.480 4.660 -0.003 0.000 0.291 1450 W C 1.008 177.550 176.519 0.038 0.000 1.214 1450 W CA 1.536 58.914 57.345 0.055 0.000 1.228 1450 W CB -0.282 29.204 29.460 0.043 0.000 1.135 1450 W HN 0.624 nan 8.180 nan 0.000 0.537 1451 N N 0.113 118.813 118.700 -0.000 0.000 2.457 1451 N HA -0.100 4.638 4.740 -0.003 0.000 0.180 1451 N C 1.371 176.790 175.510 -0.152 0.000 1.050 1451 N CA 1.567 54.552 53.050 -0.109 0.000 0.906 1451 N CB -0.112 38.379 38.487 0.006 0.000 0.968 1451 N HN 0.119 nan 8.380 nan 0.000 0.445 1452 S N -1.169 114.465 115.700 -0.110 0.000 2.602 1452 S HA 0.173 4.641 4.470 -0.003 0.000 0.240 1452 S C 1.371 175.916 174.600 -0.092 0.000 0.992 1452 S CA -0.431 57.717 58.200 -0.088 0.000 0.971 1452 S CB 0.312 63.492 63.200 -0.033 0.000 0.855 1452 S HN -0.071 nan 8.310 nan 0.000 0.481 1453 V N 1.524 121.338 119.914 -0.166 0.000 2.719 1453 V HA 0.108 4.227 4.120 -0.003 0.000 0.252 1453 V C 0.862 176.943 176.094 -0.023 0.000 1.065 1453 V CA 1.025 63.285 62.300 -0.068 0.000 1.086 1453 V CB -0.371 31.382 31.823 -0.117 0.000 0.700 1453 V HN 0.443 nan 8.190 nan 0.000 0.467 1454 K N -0.084 120.183 120.400 -0.222 0.000 2.436 1454 K HA 0.310 4.628 4.320 -0.003 0.000 0.275 1454 K C 1.165 177.697 176.600 -0.112 0.000 0.999 1454 K CA 0.723 56.835 56.287 -0.292 0.000 0.980 1454 K CB 0.395 32.680 32.500 -0.358 0.000 0.919 1454 K HN 0.426 nan 8.250 nan 0.000 0.484 1455 G N 1.498 110.253 108.800 -0.075 0.000 2.184 1455 G HA2 -0.236 3.723 3.960 -0.003 0.000 0.264 1455 G HA3 -0.236 3.723 3.960 -0.003 0.000 0.264 1455 G C 0.257 175.234 174.900 0.127 0.000 0.975 1455 G CA 0.372 45.494 45.100 0.036 0.000 0.642 1455 G HN 0.433 nan 8.290 nan 0.000 0.536 1456 K N 0.236 120.765 120.400 0.214 0.000 2.627 1456 K HA 0.601 4.919 4.320 -0.003 0.000 0.269 1456 K C 0.779 177.537 176.600 0.263 0.000 1.029 1456 K CA -0.371 56.037 56.287 0.202 0.000 1.026 1456 K CB 0.199 32.791 32.500 0.154 0.000 1.350 1456 K HN 0.291 nan 8.250 nan 0.000 0.506 1457 K N 0.949 121.423 120.400 0.123 0.000 2.206 1457 K HA 0.316 4.635 4.320 -0.003 0.000 0.264 1457 K C -0.440 176.099 176.600 -0.102 0.000 0.967 1457 K CA -0.435 55.886 56.287 0.057 0.000 0.844 1457 K CB 1.504 34.019 32.500 0.025 0.000 1.099 1457 K HN 0.664 nan 8.250 nan 0.000 0.441 1458 S N 0.581 116.170 115.700 -0.185 0.000 2.536 1458 S HA 0.521 4.989 4.470 -0.003 0.000 0.298 1458 S C -0.474 173.958 174.600 -0.280 0.000 1.083 1458 S CA -0.864 57.069 58.200 -0.445 0.000 0.995 1458 S CB 0.991 63.626 63.200 -0.940 0.000 1.058 1458 S HN 0.601 nan 8.310 nan 0.000 0.488 1459 c N 3.882 122.227 118.600 -0.425 0.000 2.319 1459 c HA 0.650 5.218 4.570 -0.003 0.000 0.323 1459 c C -0.191 173.726 174.090 -0.288 0.000 1.277 1459 c CA -0.631 55.538 56.329 -0.267 0.000 1.517 1459 c CB -0.642 41.695 42.510 -0.287 0.000 2.206 1459 c HN 0.885 nan 8.230 nan 0.000 0.486 1460 H N 1.318 120.464 119.070 0.126 0.000 2.524 1460 H HA 0.261 4.815 4.556 -0.002 0.000 0.353 1460 H C 0.989 176.381 175.328 0.106 0.000 1.136 1460 H CA -0.047 56.137 56.048 0.227 0.000 1.193 1460 H CB 1.993 31.964 29.762 0.349 0.000 1.558 1460 H HN 0.726 nan 8.280 nan 0.000 0.515 1461 T N 0.331 114.978 114.554 0.156 0.000 2.708 1461 T HA 0.140 4.488 4.350 -0.003 0.000 0.266 1461 T C 0.852 175.501 174.700 -0.084 0.000 1.037 1461 T CA 0.827 62.877 62.100 -0.085 0.000 1.146 1461 T CB 0.187 68.891 68.868 -0.274 0.000 0.865 1461 T HN 0.728 nan 8.240 nan 0.000 0.435 1462 A N -0.536 122.312 122.820 0.048 0.000 2.569 1462 A HA 0.552 4.870 4.320 -0.003 0.000 0.292 1462 A C -0.780 176.751 177.584 -0.088 0.000 1.032 1462 A CA -0.775 51.297 52.037 0.059 0.000 0.669 1462 A CB 0.684 19.797 19.000 0.188 0.000 1.290 1462 A HN 0.284 nan 8.150 nan 0.000 0.422 1463 V N 2.245 121.955 119.914 -0.339 0.000 2.694 1463 V HA 0.256 4.375 4.120 -0.003 0.000 0.306 1463 V C 0.796 176.569 176.094 -0.535 0.000 1.054 1463 V CA 2.126 63.885 62.300 -0.900 0.000 1.161 1463 V CB 0.505 31.835 31.823 -0.822 0.000 0.916 1463 V HN 1.080 nan 8.190 nan 0.000 0.490 1464 D N 1.422 121.433 120.400 -0.648 0.000 2.911 1464 D HA -0.137 4.501 4.640 -0.003 0.000 0.199 1464 D C 0.648 176.785 176.300 -0.272 0.000 1.041 1464 D CA 1.021 54.874 54.000 -0.245 0.000 1.013 1464 D CB -0.433 40.246 40.800 -0.201 0.000 1.093 1464 D HN 0.661 nan 8.370 nan 0.000 0.431 1465 R N 0.148 120.543 120.500 -0.175 0.000 2.577 1465 R HA 0.420 4.758 4.340 -0.003 0.000 0.269 1465 R C 1.494 177.849 176.300 0.093 0.000 1.084 1465 R CA 0.045 56.066 56.100 -0.130 0.000 1.163 1465 R CB 0.291 30.559 30.300 -0.053 0.000 1.100 1465 R HN -0.028 nan 8.270 nan 0.000 0.547 1466 T N 1.190 115.829 114.554 0.142 0.000 2.643 1466 T HA -0.112 4.236 4.350 -0.003 0.000 0.256 1466 T C 1.861 176.697 174.700 0.226 0.000 1.061 1466 T CA 1.577 63.818 62.100 0.235 0.000 1.163 1466 T CB -0.281 68.750 68.868 0.272 0.000 0.865 1466 T HN 0.716 nan 8.240 nan 0.000 0.407 1467 A N 1.093 124.088 122.820 0.292 0.000 1.969 1467 A HA 0.188 4.506 4.320 -0.003 0.000 0.218 1467 A C 2.458 180.211 177.584 0.283 0.000 1.169 1467 A CA 1.699 53.916 52.037 0.300 0.000 0.635 1467 A CB -1.096 18.181 19.000 0.461 0.000 0.810 1467 A HN 0.534 nan 8.150 nan 0.000 0.445 1468 G N -3.119 105.847 108.800 0.277 0.000 2.623 1468 G HA2 0.065 4.023 3.960 -0.003 0.000 0.214 1468 G HA3 0.065 4.023 3.960 -0.003 0.000 0.214 1468 G C 1.126 176.298 174.900 0.453 0.000 1.138 1468 G CA 0.803 46.105 45.100 0.337 0.000 0.794 1468 G HN 0.619 nan 8.290 nan 0.000 0.535 1469 W N -0.497 120.834 121.300 0.051 0.000 5.240 1469 W HA 0.046 4.704 4.660 -0.004 0.000 0.175 1469 W C 1.332 177.777 176.519 -0.124 0.000 1.922 1469 W CA 0.142 57.457 57.345 -0.050 0.000 2.107 1469 W CB -0.346 29.062 29.460 -0.085 0.000 0.882 1469 W HN 0.026 nan 8.180 nan 0.000 1.029 1470 N N 1.859 120.605 118.700 0.076 0.000 2.061 1470 N HA -0.192 4.546 4.740 -0.003 0.000 0.193 1470 N C 1.652 177.058 175.510 -0.173 0.000 1.030 1470 N CA 2.464 55.463 53.050 -0.085 0.000 0.856 1470 N CB -0.811 37.668 38.487 -0.013 0.000 1.023 1470 N HN 0.267 nan 8.380 nan 0.000 0.424 1471 I N 1.361 121.883 120.570 -0.081 0.000 2.133 1471 I HA -0.163 4.005 4.170 -0.003 0.000 0.238 1471 I C -0.644 175.389 176.117 -0.141 0.000 1.074 1471 I CA 1.121 62.374 61.300 -0.079 0.000 1.342 1471 I CB -1.261 36.742 38.000 0.004 0.000 1.053 1471 I HN 0.142 nan 8.210 nan 0.000 0.404 1472 P HA -0.146 nan 4.420 nan 0.000 0.215 1472 P C 1.733 178.888 177.300 -0.242 0.000 1.157 1472 P CA 1.627 64.556 63.100 -0.285 0.000 0.859 1472 P CB -0.131 31.029 31.700 -0.900 0.000 0.786 1473 M N -0.540 118.777 119.600 -0.471 0.000 2.229 1473 M HA 0.025 4.504 4.480 -0.003 0.000 0.264 1473 M C 2.356 178.471 176.300 -0.309 0.000 1.063 1473 M CA 1.470 56.430 55.300 -0.566 0.000 1.114 1473 M CB -2.339 29.407 32.600 -1.424 0.000 1.387 1473 M HN -0.013 nan 8.290 nan 0.000 0.420 1474 G N 0.219 108.874 108.800 -0.242 0.000 2.404 1474 G HA2 -0.132 3.827 3.960 -0.003 0.000 0.215 1474 G HA3 -0.132 3.827 3.960 -0.003 0.000 0.215 1474 G C 1.730 176.666 174.900 0.060 0.000 1.174 1474 G CA 0.367 45.444 45.100 -0.039 0.000 0.780 1474 G HN 0.387 nan 8.290 nan 0.000 0.537 1475 L N -0.401 120.831 121.223 0.015 0.000 2.012 1475 L HA -0.080 4.258 4.340 -0.003 0.000 0.210 1475 L C 2.812 179.737 176.870 0.092 0.000 1.073 1475 L CA 0.472 55.357 54.840 0.075 0.000 0.748 1475 L CB -0.448 41.687 42.059 0.126 0.000 0.891 1475 L HN 0.135 nan 8.230 nan 0.000 0.431 1476 L N -1.000 120.238 121.223 0.024 0.000 2.079 1476 L HA -0.246 4.093 4.340 -0.003 0.000 0.210 1476 L C 2.317 179.097 176.870 -0.149 0.000 1.081 1476 L CA 1.699 56.397 54.840 -0.236 0.000 0.752 1476 L CB -1.008 40.659 42.059 -0.653 0.000 0.896 1476 L HN 0.133 nan 8.230 nan 0.000 0.433 1477 F N 0.435 120.358 119.950 -0.046 0.000 2.134 1477 F HA -0.211 4.314 4.527 -0.004 0.000 0.299 1477 F C 2.268 178.101 175.800 0.055 0.000 1.097 1477 F CA 1.278 59.368 58.000 0.149 0.000 1.264 1477 F CB -0.439 38.712 39.000 0.251 0.000 1.001 1477 F HN 0.197 nan 8.300 nan 0.000 0.479 1478 N N 0.500 119.177 118.700 -0.038 0.000 2.025 1478 N HA -0.216 4.523 4.740 -0.003 0.000 0.194 1478 N C 1.883 177.303 175.510 -0.152 0.000 1.044 1478 N CA 1.942 54.904 53.050 -0.147 0.000 0.851 1478 N CB -0.690 37.768 38.487 -0.048 0.000 1.036 1478 N HN 0.414 nan 8.380 nan 0.000 0.422 1479 Q N -1.058 118.688 119.800 -0.091 0.000 2.112 1479 Q HA -0.143 4.195 4.340 -0.003 0.000 0.206 1479 Q C 1.649 177.580 176.000 -0.115 0.000 0.987 1479 Q CA 2.002 57.752 55.803 -0.088 0.000 0.858 1479 Q CB -0.200 28.492 28.738 -0.077 0.000 0.905 1479 Q HN 0.643 nan 8.270 nan 0.000 0.420 1480 T N -5.330 109.145 114.554 -0.132 0.000 2.990 1480 T HA 0.292 4.641 4.350 -0.003 0.000 0.250 1480 T C 1.387 176.038 174.700 -0.082 0.000 1.041 1480 T CA 0.520 62.564 62.100 -0.093 0.000 1.010 1480 T CB 0.738 69.559 68.868 -0.079 0.000 1.003 1480 T HN 0.411 nan 8.240 nan 0.000 0.499 1481 G N 1.360 110.036 108.800 -0.207 0.000 2.186 1481 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.266 1481 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.266 1481 G C 0.194 175.052 174.900 -0.070 0.000 0.982 1481 G CA 0.636 45.529 45.100 -0.345 0.000 0.670 1481 G HN 1.103 nan 8.290 nan 0.000 0.533 1482 S N -1.547 114.277 115.700 0.208 0.000 2.541 1482 S HA 0.461 4.929 4.470 -0.003 0.000 0.283 1482 S C 1.256 176.139 174.600 0.473 0.000 1.196 1482 S CA 0.059 58.445 58.200 0.310 0.000 1.062 1482 S CB 1.277 64.628 63.200 0.252 0.000 1.009 1482 S HN 0.570 nan 8.310 nan 0.000 0.502 1483 c N 4.067 122.733 118.600 0.109 0.000 2.673 1483 c HA 0.359 4.927 4.570 -0.003 0.000 0.274 1483 c C 0.659 174.346 174.090 -0.672 0.000 1.276 1483 c CA -0.394 55.657 56.329 -0.463 0.000 1.701 1483 c CB -1.473 40.822 42.510 -0.360 0.000 1.836 1483 c HN 0.629 nan 8.230 nan 0.000 0.596 1484 K N 1.552 121.771 120.400 -0.303 0.000 2.278 1484 K HA 0.182 4.500 4.320 -0.003 0.000 0.237 1484 K C 0.583 176.961 176.600 -0.371 0.000 1.229 1484 K CA -0.519 55.619 56.287 -0.248 0.000 1.155 1484 K CB -0.610 31.852 32.500 -0.063 0.000 1.590 1484 K HN 0.293 nan 8.250 nan 0.000 0.290 1485 F N 0.770 120.408 119.950 -0.521 0.000 2.234 1485 F HA -0.152 4.374 4.527 -0.002 0.000 0.299 1485 F C 1.573 177.117 175.800 -0.427 0.000 1.087 1485 F CA 0.910 58.406 58.000 -0.840 0.000 1.340 1485 F CB -0.456 38.286 39.000 -0.430 0.000 1.031 1485 F HN 0.414 nan 8.300 nan 0.000 0.500 1486 D N -0.331 120.071 120.400 0.004 0.000 2.378 1486 D HA -0.130 4.508 4.640 -0.003 0.000 0.227 1486 D C 1.086 177.428 176.300 0.069 0.000 1.012 1486 D CA 0.595 54.642 54.000 0.079 0.000 0.905 1486 D CB -0.596 40.248 40.800 0.072 0.000 0.895 1486 D HN 0.363 nan 8.370 nan 0.000 0.532 1487 E N -1.455 118.755 120.200 0.016 0.000 2.562 1487 E HA 0.046 4.394 4.350 -0.003 0.000 0.214 1487 E C 0.761 177.440 176.600 0.132 0.000 0.979 1487 E CA -0.310 56.133 56.400 0.072 0.000 1.002 1487 E CB 0.225 29.959 29.700 0.057 0.000 1.048 1487 E HN 0.090 nan 8.360 nan 0.000 0.488 1488 Y N -0.253 120.010 120.300 -0.062 0.000 2.181 1488 Y HA -0.055 4.494 4.550 -0.003 0.000 0.288 1488 Y C 0.686 176.256 175.900 -0.549 0.000 1.146 1488 Y CA 0.631 58.503 58.100 -0.379 0.000 1.164 1488 Y CB -0.214 37.899 38.460 -0.578 0.000 0.982 1488 Y HN -0.096 nan 8.280 nan 0.000 0.515 1489 F N -1.080 119.018 119.950 0.247 0.000 2.546 1489 F HA 0.283 4.808 4.527 -0.003 0.000 0.320 1489 F C 1.392 177.274 175.800 0.137 0.000 1.076 1489 F CA -0.775 57.334 58.000 0.183 0.000 0.928 1489 F CB 1.438 40.582 39.000 0.239 0.000 1.189 1489 F HN -0.284 nan 8.300 nan 0.000 0.465 1490 S N 0.456 116.328 115.700 0.287 0.000 2.355 1490 S HA 0.017 4.486 4.470 -0.003 0.000 0.222 1490 S C 0.221 174.927 174.600 0.176 0.000 1.031 1490 S CA 0.640 58.947 58.200 0.178 0.000 0.993 1490 S CB -0.190 63.087 63.200 0.129 0.000 0.859 1490 S HN 0.703 nan 8.310 nan 0.000 0.453 1491 Q N -0.288 119.630 119.800 0.196 0.000 2.379 1491 Q HA 0.720 5.058 4.340 -0.003 0.000 0.278 1491 Q C -1.594 174.514 176.000 0.181 0.000 1.068 1491 Q CA -0.506 55.395 55.803 0.164 0.000 0.816 1491 Q CB 2.536 31.341 28.738 0.113 0.000 1.387 1491 Q HN 0.261 nan 8.270 nan 0.000 0.413 1492 S N 0.134 115.943 115.700 0.182 0.000 2.618 1492 S HA 0.494 4.963 4.470 -0.003 0.000 0.277 1492 S C -1.526 173.184 174.600 0.183 0.000 1.138 1492 S CA -0.589 57.732 58.200 0.202 0.000 0.844 1492 S CB 1.861 65.252 63.200 0.319 0.000 1.127 1492 S HN 0.713 nan 8.310 nan 0.000 0.474 1493 c N 2.665 121.382 118.600 0.194 0.000 2.264 1493 c HA 0.821 5.390 4.570 -0.003 0.000 0.322 1493 c C 0.059 174.312 174.090 0.272 0.000 1.210 1493 c CA -0.286 56.169 56.329 0.210 0.000 1.539 1493 c CB -1.341 41.305 42.510 0.227 0.000 2.167 1493 c HN 0.845 nan 8.230 nan 0.000 0.463 1494 A N 8.194 131.144 122.820 0.216 0.000 2.842 1494 A HA 0.630 4.948 4.320 -0.003 0.000 0.339 1494 A C -2.747 174.866 177.584 0.048 0.000 1.177 1494 A CA -1.133 50.995 52.037 0.152 0.000 0.797 1494 A CB 0.204 19.234 19.000 0.050 0.000 1.094 1494 A HN 0.699 nan 8.150 nan 0.000 0.474 1495 P HA 0.244 nan 4.420 nan 0.000 0.265 1495 P C 1.235 178.550 177.300 0.024 0.000 1.187 1495 P CA 2.190 65.358 63.100 0.113 0.000 0.766 1495 P CB 0.776 32.649 31.700 0.287 0.000 0.820 1496 G N 1.039 109.833 108.800 -0.011 0.000 2.213 1496 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.236 1496 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.236 1496 G C 0.549 175.389 174.900 -0.100 0.000 0.991 1496 G CA 0.022 45.087 45.100 -0.059 0.000 0.629 1496 G HN 0.583 nan 8.290 nan 0.000 0.517 1497 S N 0.234 115.876 115.700 -0.096 0.000 2.655 1497 S HA 0.460 4.928 4.470 -0.003 0.000 0.265 1497 S C 0.138 174.716 174.600 -0.035 0.000 1.240 1497 S CA 0.159 58.310 58.200 -0.082 0.000 0.986 1497 S CB 1.150 64.318 63.200 -0.054 0.000 0.985 1497 S HN 0.531 nan 8.310 nan 0.000 0.562 1498 D N 1.085 121.474 120.400 -0.019 0.000 2.434 1498 D HA 0.140 4.779 4.640 -0.003 0.000 0.252 1498 D C -1.730 174.572 176.300 0.003 0.000 1.185 1498 D CA -1.492 52.503 54.000 -0.008 0.000 0.886 1498 D CB 0.877 41.676 40.800 -0.002 0.000 1.148 1498 D HN 0.011 nan 8.370 nan 0.000 0.483 1499 P HA -0.093 nan 4.420 nan 0.000 0.221 1499 P C 1.064 178.372 177.300 0.013 0.000 1.145 1499 P CA 0.795 63.899 63.100 0.006 0.000 0.795 1499 P CB 0.252 31.950 31.700 -0.003 0.000 0.775 1500 R N 0.093 120.600 120.500 0.011 0.000 2.148 1500 R HA 0.018 4.357 4.340 -0.003 0.000 0.223 1500 R C 1.218 177.533 176.300 0.026 0.000 1.088 1500 R CA 0.580 56.689 56.100 0.015 0.000 0.985 1500 R CB -0.817 29.489 30.300 0.010 0.000 0.880 1500 R HN 0.284 nan 8.270 nan 0.000 0.451 1501 S N -0.934 114.784 115.700 0.031 0.000 2.617 1501 S HA 0.045 4.513 4.470 -0.003 0.000 0.259 1501 S C 0.818 175.455 174.600 0.061 0.000 1.301 1501 S CA -0.436 57.791 58.200 0.044 0.000 0.984 1501 S CB 0.716 63.946 63.200 0.049 0.000 0.954 1501 S HN 0.266 nan 8.310 nan 0.000 0.572 1502 N N -0.260 118.485 118.700 0.076 0.000 2.364 1502 N HA 0.009 4.747 4.740 -0.003 0.000 0.183 1502 N C 1.369 176.954 175.510 0.125 0.000 1.022 1502 N CA 0.523 53.632 53.050 0.098 0.000 0.883 1502 N CB -0.412 38.141 38.487 0.110 0.000 0.965 1502 N HN 0.498 nan 8.380 nan 0.000 0.438 1503 L N -0.436 120.862 121.223 0.125 0.000 2.376 1503 L HA -0.075 4.263 4.340 -0.003 0.000 0.219 1503 L C 1.246 178.191 176.870 0.125 0.000 1.133 1503 L CA 0.442 55.372 54.840 0.150 0.000 0.816 1503 L CB 0.107 42.250 42.059 0.140 0.000 0.933 1503 L HN 0.343 nan 8.230 nan 0.000 0.449 1504 c N -1.254 117.403 118.600 0.095 0.000 3.183 1504 c HA 0.315 4.883 4.570 -0.003 0.000 0.285 1504 c C 2.595 176.737 174.090 0.085 0.000 1.313 1504 c CA -0.059 56.319 56.329 0.083 0.000 1.711 1504 c CB -0.296 42.245 42.510 0.051 0.000 2.135 1504 c HN 0.524 nan 8.230 nan 0.000 0.651 1505 A N 0.809 123.684 122.820 0.092 0.000 1.969 1505 A HA -0.030 4.288 4.320 -0.003 0.000 0.218 1505 A C 1.826 179.463 177.584 0.087 0.000 1.169 1505 A CA 1.391 53.476 52.037 0.080 0.000 0.635 1505 A CB -0.339 18.709 19.000 0.081 0.000 0.810 1505 A HN 0.612 nan 8.150 nan 0.000 0.445 1506 L N -0.500 120.793 121.223 0.116 0.000 2.567 1506 L HA 0.052 4.390 4.340 -0.003 0.000 0.225 1506 L C 0.351 177.347 176.870 0.210 0.000 1.119 1506 L CA -0.643 54.285 54.840 0.146 0.000 0.871 1506 L CB -0.341 41.798 42.059 0.133 0.000 1.036 1506 L HN 0.282 nan 8.230 nan 0.000 0.459 1507 c N 0.879 119.576 118.600 0.162 0.000 2.657 1507 c HA 0.121 4.689 4.570 -0.003 0.000 0.404 1507 c C 1.821 175.890 174.090 -0.035 0.000 1.291 1507 c CA -0.505 55.904 56.329 0.133 0.000 2.218 1507 c CB 0.335 42.907 42.510 0.102 0.000 2.687 1507 c HN 0.457 nan 8.230 nan 0.000 0.634 1508 I N -0.111 120.318 120.570 -0.235 0.000 4.147 1508 I HA 0.441 4.610 4.170 -0.003 0.000 0.329 1508 I C 0.974 176.973 176.117 -0.196 0.000 1.424 1508 I CA 0.409 61.548 61.300 -0.269 0.000 1.127 1508 I CB -0.860 36.843 38.000 -0.495 0.000 1.128 1508 I HN 0.869 nan 8.210 nan 0.000 0.417 1509 G N 3.183 111.899 108.800 -0.141 0.000 2.598 1509 G HA2 -0.334 3.625 3.960 -0.003 0.000 0.269 1509 G HA3 -0.334 3.625 3.960 -0.003 0.000 0.269 1509 G C -0.376 174.463 174.900 -0.103 0.000 1.289 1509 G CA 0.568 45.612 45.100 -0.093 0.000 0.926 1509 G HN 0.784 nan 8.290 nan 0.000 0.567 1510 D N -0.912 119.446 120.400 -0.069 0.000 2.478 1510 D HA 0.400 5.038 4.640 -0.003 0.000 0.274 1510 D C 1.399 177.666 176.300 -0.055 0.000 1.234 1510 D CA 0.255 54.222 54.000 -0.055 0.000 1.069 1510 D CB 0.086 40.867 40.800 -0.033 0.000 1.113 1510 D HN 0.706 nan 8.370 nan 0.000 0.571 1511 E N -1.344 118.835 120.200 -0.035 0.000 2.209 1511 E HA -0.257 4.091 4.350 -0.003 0.000 0.196 1511 E C 1.448 178.031 176.600 -0.028 0.000 0.993 1511 E CA 1.201 57.584 56.400 -0.029 0.000 0.819 1511 E CB 0.032 29.726 29.700 -0.009 0.000 0.745 1511 E HN 0.400 nan 8.360 nan 0.000 0.477 1512 Q N -1.359 118.425 119.800 -0.027 0.000 2.360 1512 Q HA 0.217 4.555 4.340 -0.003 0.000 0.202 1512 Q C 0.964 176.946 176.000 -0.029 0.000 0.915 1512 Q CA 0.581 56.370 55.803 -0.023 0.000 0.943 1512 Q CB 1.217 29.944 28.738 -0.018 0.000 1.064 1512 Q HN 0.399 nan 8.270 nan 0.000 0.511 1513 G N 0.009 108.785 108.800 -0.040 0.000 2.157 1513 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.248 1513 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.248 1513 G C -0.086 174.792 174.900 -0.038 0.000 0.979 1513 G CA 0.019 45.093 45.100 -0.044 0.000 0.650 1513 G HN 0.243 nan 8.290 nan 0.000 0.529 1514 E N 0.558 120.737 120.200 -0.035 0.000 2.369 1514 E HA 0.332 4.680 4.350 -0.003 0.000 0.255 1514 E C 1.005 177.582 176.600 -0.038 0.000 1.172 1514 E CA -0.319 56.062 56.400 -0.032 0.000 0.932 1514 E CB 0.151 29.834 29.700 -0.028 0.000 1.040 1514 E HN 0.239 nan 8.360 nan 0.000 0.454 1515 N N 0.108 118.786 118.700 -0.036 0.000 2.741 1515 N HA -0.185 4.554 4.740 -0.003 0.000 0.250 1515 N C -0.544 174.942 175.510 -0.039 0.000 1.115 1515 N CA 0.811 53.836 53.050 -0.042 0.000 0.724 1515 N CB -0.938 37.520 38.487 -0.048 0.000 1.090 1515 N HN 0.430 nan 8.380 nan 0.000 0.558 1516 K N 0.070 120.450 120.400 -0.033 0.000 2.453 1516 K HA 0.067 4.385 4.320 -0.003 0.000 0.280 1516 K C 1.050 177.644 176.600 -0.010 0.000 1.045 1516 K CA 0.768 57.040 56.287 -0.025 0.000 1.059 1516 K CB 0.211 32.699 32.500 -0.020 0.000 0.901 1516 K HN 0.441 nan 8.250 nan 0.000 0.475 1517 c N 2.238 120.844 118.600 0.009 0.000 4.741 1517 c HA -0.174 4.395 4.570 -0.003 0.000 0.252 1517 c C 0.522 174.616 174.090 0.007 0.000 1.314 1517 c CA 0.356 56.703 56.329 0.030 0.000 1.567 1517 c CB -2.459 40.067 42.510 0.026 0.000 1.662 1517 c HN 0.683 nan 8.230 nan 0.000 0.684 1518 V N -0.264 119.634 119.914 -0.025 0.000 2.637 1518 V HA 0.496 4.614 4.120 -0.003 0.000 0.296 1518 V C -1.212 174.813 176.094 -0.115 0.000 1.046 1518 V CA -0.548 61.711 62.300 -0.068 0.000 1.066 1518 V CB 0.843 32.613 31.823 -0.089 0.000 0.968 1518 V HN 0.412 nan 8.190 nan 0.000 0.483 1519 P HA 0.279 nan 4.420 nan 0.000 0.214 1519 P C -1.025 175.846 177.300 -0.716 0.000 1.826 1519 P CA 0.074 63.041 63.100 -0.221 0.000 0.977 1519 P CB -0.445 31.258 31.700 0.005 0.000 1.930 1520 N N -1.360 116.780 118.700 -0.933 0.000 3.204 1520 N HA 0.158 4.897 4.740 -0.003 0.000 0.285 1520 N C 0.589 175.673 175.510 -0.710 0.000 1.536 1520 N CA -0.738 51.716 53.050 -0.993 0.000 0.832 1520 N CB -0.133 38.112 38.487 -0.404 0.000 1.645 1520 N HN -0.198 nan 8.380 nan 0.000 0.586 1521 S N -1.374 114.168 115.700 -0.262 0.000 2.561 1521 S HA -0.008 4.461 4.470 -0.003 0.000 0.225 1521 S C 0.773 175.385 174.600 0.020 0.000 0.977 1521 S CA 0.113 58.337 58.200 0.040 0.000 0.926 1521 S CB -0.713 62.568 63.200 0.135 0.000 0.769 1521 S HN 0.503 nan 8.310 nan 0.000 0.533 1522 N N 2.058 120.729 118.700 -0.050 0.000 2.205 1522 N HA -0.084 4.654 4.740 -0.003 0.000 0.186 1522 N C 0.630 176.126 175.510 -0.023 0.000 1.015 1522 N CA 1.140 54.171 53.050 -0.031 0.000 0.862 1522 N CB -0.413 38.042 38.487 -0.053 0.000 0.986 1522 N HN 0.696 nan 8.380 nan 0.000 0.429 1523 E N 1.228 121.414 120.200 -0.023 0.000 2.217 1523 E HA 0.081 4.430 4.350 -0.003 0.000 0.279 1523 E C 0.565 177.203 176.600 0.063 0.000 1.068 1523 E CA 0.024 56.430 56.400 0.009 0.000 0.882 1523 E CB 0.457 30.181 29.700 0.040 0.000 1.039 1523 E HN 0.024 nan 8.360 nan 0.000 0.418 1524 R N 3.372 123.850 120.500 -0.038 0.000 2.237 1524 R HA -0.078 4.261 4.340 -0.003 0.000 0.219 1524 R C 0.287 176.653 176.300 0.109 0.000 1.080 1524 R CA 0.755 56.840 56.100 -0.025 0.000 0.995 1524 R CB 0.043 30.245 30.300 -0.164 0.000 0.875 1524 R HN 0.571 nan 8.270 nan 0.000 0.462 1525 Y N -1.124 119.186 120.300 0.016 0.000 2.532 1525 Y HA 0.093 4.641 4.550 -0.003 0.000 0.283 1525 Y C -0.172 175.775 175.900 0.078 0.000 1.181 1525 Y CA -1.519 56.581 58.100 -0.001 0.000 1.256 1525 Y CB -0.770 37.680 38.460 -0.018 0.000 1.112 1525 Y HN -0.021 nan 8.280 nan 0.000 0.521 1526 Y N 0.768 121.155 120.300 0.145 0.000 2.309 1526 Y HA 0.508 5.056 4.550 -0.003 0.000 0.327 1526 Y C 0.878 176.835 175.900 0.094 0.000 1.172 1526 Y CA 0.562 58.723 58.100 0.101 0.000 1.280 1526 Y CB 0.521 39.023 38.460 0.070 0.000 1.234 1526 Y HN 0.372 nan 8.280 nan 0.000 0.512 1527 G N 3.618 111.940 108.800 -0.795 0.000 2.725 1527 G HA2 -0.333 3.626 3.960 -0.003 0.000 0.220 1527 G HA3 -0.333 3.626 3.960 -0.003 0.000 0.220 1527 G C -0.179 174.555 174.900 -0.277 0.000 1.357 1527 G CA 0.019 44.678 45.100 -0.735 0.000 0.866 1527 G HN 0.730 nan 8.290 nan 0.000 0.548 1528 Y N 0.389 120.643 120.300 -0.077 0.000 2.081 1528 Y HA -0.145 4.404 4.550 -0.003 0.000 0.280 1528 Y C 3.501 179.432 175.900 0.051 0.000 1.163 1528 Y CA 2.807 60.901 58.100 -0.010 0.000 1.135 1528 Y CB -1.114 37.323 38.460 -0.039 0.000 0.970 1528 Y HN 0.622 nan 8.280 nan 0.000 0.498 1529 T N -0.690 114.013 114.554 0.249 0.000 2.708 1529 T HA -0.150 4.198 4.350 -0.003 0.000 0.266 1529 T C 2.261 177.104 174.700 0.238 0.000 1.037 1529 T CA 1.479 63.755 62.100 0.293 0.000 1.146 1529 T CB -1.044 68.006 68.868 0.304 0.000 0.865 1529 T HN 0.572 nan 8.240 nan 0.000 0.435 1530 G N 1.154 110.042 108.800 0.147 0.000 2.440 1530 G HA2 -0.080 3.879 3.960 -0.003 0.000 0.218 1530 G HA3 -0.080 3.879 3.960 -0.003 0.000 0.218 1530 G C 1.839 176.728 174.900 -0.018 0.000 1.154 1530 G CA 0.951 46.114 45.100 0.106 0.000 0.767 1530 G HN 0.583 nan 8.290 nan 0.000 0.552 1531 A N 0.198 123.018 122.820 -0.001 0.000 1.933 1531 A HA 0.074 4.392 4.320 -0.003 0.000 0.218 1531 A C 2.172 179.701 177.584 -0.091 0.000 1.175 1531 A CA 1.560 53.558 52.037 -0.064 0.000 0.628 1531 A CB -0.518 18.487 19.000 0.008 0.000 0.814 1531 A HN 0.394 nan 8.150 nan 0.000 0.444 1532 F N 0.496 120.384 119.950 -0.104 0.000 2.186 1532 F HA -0.082 4.443 4.527 -0.003 0.000 0.299 1532 F C 2.283 177.979 175.800 -0.172 0.000 1.090 1532 F CA 1.683 59.623 58.000 -0.100 0.000 1.307 1532 F CB -0.243 38.754 39.000 -0.005 0.000 1.019 1532 F HN 0.217 nan 8.300 nan 0.000 0.489 1533 R N -0.464 119.811 120.500 -0.375 0.000 2.081 1533 R HA -0.213 4.125 4.340 -0.003 0.000 0.235 1533 R C 2.622 178.477 176.300 -0.741 0.000 1.131 1533 R CA 1.648 57.247 56.100 -0.835 0.000 0.960 1533 R CB -1.203 28.466 30.300 -1.051 0.000 0.856 1533 R HN 0.530 nan 8.270 nan 0.000 0.436 1534 c N 0.568 118.588 118.600 -0.967 0.000 2.413 1534 c HA -0.111 4.457 4.570 -0.003 0.000 0.277 1534 c C 2.495 176.222 174.090 -0.606 0.000 1.265 1534 c CA 0.958 56.533 56.329 -1.257 0.000 1.752 1534 c CB -1.077 40.737 42.510 -1.160 0.000 1.998 1534 c HN 0.654 nan 8.230 nan 0.000 0.489 1535 L N 1.841 122.780 121.223 -0.473 0.000 2.044 1535 L HA 0.202 4.540 4.340 -0.003 0.000 0.205 1535 L C 2.692 179.419 176.870 -0.238 0.000 1.075 1535 L CA 2.470 57.123 54.840 -0.312 0.000 0.747 1535 L CB -1.008 40.892 42.059 -0.266 0.000 0.903 1535 L HN 0.311 nan 8.230 nan 0.000 0.435 1536 A N -0.834 121.776 122.820 -0.350 0.000 1.933 1536 A HA -0.187 4.131 4.320 -0.003 0.000 0.218 1536 A C 2.047 179.606 177.584 -0.041 0.000 1.175 1536 A CA 1.713 53.682 52.037 -0.114 0.000 0.628 1536 A CB -0.620 18.317 19.000 -0.104 0.000 0.814 1536 A HN 0.624 nan 8.150 nan 0.000 0.444 1537 E N -0.193 119.936 120.200 -0.118 0.000 2.494 1537 E HA 0.001 4.349 4.350 -0.003 0.000 0.193 1537 E C -0.336 176.242 176.600 -0.036 0.000 1.074 1537 E CA 0.062 56.441 56.400 -0.035 0.000 0.867 1537 E CB -0.106 29.587 29.700 -0.012 0.000 0.924 1537 E HN 0.602 nan 8.360 nan 0.000 0.502 1538 N N -1.270 117.384 118.700 -0.076 0.000 2.850 1538 N HA -0.242 4.496 4.740 -0.003 0.000 0.249 1538 N C 0.824 176.301 175.510 -0.054 0.000 1.060 1538 N CA 0.654 53.668 53.050 -0.059 0.000 0.825 1538 N CB -1.188 37.282 38.487 -0.027 0.000 1.132 1538 N HN 0.276 nan 8.380 nan 0.000 0.564 1539 A N 0.218 122.990 122.820 -0.080 0.000 1.872 1539 A HA 0.313 4.631 4.320 -0.003 0.000 0.214 1539 A C 1.321 178.864 177.584 -0.069 0.000 1.187 1539 A CA 1.842 53.855 52.037 -0.040 0.000 0.614 1539 A CB -0.261 18.745 19.000 0.009 0.000 0.826 1539 A HN 0.424 nan 8.150 nan 0.000 0.442 1540 G N -2.053 106.661 108.800 -0.142 0.000 2.537 1540 G HA2 0.468 4.426 3.960 -0.003 0.000 0.323 1540 G HA3 0.468 4.426 3.960 -0.003 0.000 0.323 1540 G C -0.555 174.265 174.900 -0.133 0.000 1.207 1540 G CA -0.068 44.950 45.100 -0.136 0.000 0.976 1540 G HN 0.042 nan 8.290 nan 0.000 0.487 1541 D N -1.238 119.088 120.400 -0.123 0.000 2.388 1541 D HA 0.085 4.723 4.640 -0.003 0.000 0.208 1541 D C 0.388 176.606 176.300 -0.137 0.000 1.035 1541 D CA 0.508 54.450 54.000 -0.097 0.000 0.875 1541 D CB 1.513 42.286 40.800 -0.046 0.000 0.984 1541 D HN 0.147 nan 8.370 nan 0.000 0.508 1542 V N 0.286 120.049 119.914 -0.250 0.000 2.760 1542 V HA 0.709 4.827 4.120 -0.003 0.000 0.309 1542 V C -1.672 174.065 176.094 -0.596 0.000 1.077 1542 V CA -0.792 61.275 62.300 -0.387 0.000 0.910 1542 V CB 1.923 33.478 31.823 -0.448 0.000 1.008 1542 V HN 0.058 nan 8.190 nan 0.000 0.424 1543 A N 5.802 128.312 122.820 -0.517 0.000 2.331 1543 A HA 0.866 5.184 4.320 -0.003 0.000 0.320 1543 A C -1.254 176.048 177.584 -0.471 0.000 1.138 1543 A CA -0.380 51.391 52.037 -0.444 0.000 0.790 1543 A CB 0.864 19.774 19.000 -0.149 0.000 1.206 1543 A HN 0.747 nan 8.150 nan 0.000 0.470 1544 F N 2.990 122.889 119.950 -0.084 0.000 2.303 1544 F HA 0.478 5.004 4.527 -0.002 0.000 0.368 1544 F C 0.647 176.513 175.800 0.110 0.000 1.105 1544 F CA -0.296 57.716 58.000 0.020 0.000 1.153 1544 F CB 1.143 40.145 39.000 0.004 0.000 1.362 1544 F HN 0.533 nan 8.300 nan 0.000 0.511 1545 V N -0.079 120.008 119.914 0.288 0.000 3.087 1545 V HA 0.685 4.803 4.120 -0.003 0.000 0.311 1545 V C -0.768 175.495 176.094 0.283 0.000 1.333 1545 V CA -1.368 61.130 62.300 0.330 0.000 1.054 1545 V CB 1.970 33.946 31.823 0.254 0.000 1.123 1545 V HN 0.449 nan 8.190 nan 0.000 0.473 1546 K N -0.178 120.316 120.400 0.157 0.000 2.211 1546 K HA 0.482 4.800 4.320 -0.003 0.000 0.237 1546 K C 0.382 176.935 176.600 -0.078 0.000 1.002 1546 K CA 0.134 56.443 56.287 0.036 0.000 0.885 1546 K CB 1.414 33.846 32.500 -0.112 0.000 1.136 1546 K HN 0.726 nan 8.250 nan 0.000 0.448 1547 D N 0.810 121.172 120.400 -0.064 0.000 2.178 1547 D HA -0.178 4.460 4.640 -0.003 0.000 0.202 1547 D C 1.701 177.902 176.300 -0.165 0.000 0.974 1547 D CA 1.631 55.581 54.000 -0.084 0.000 0.841 1547 D CB -0.625 40.146 40.800 -0.048 0.000 0.953 1547 D HN 0.373 nan 8.370 nan 0.000 0.478 1548 V N -1.236 118.541 119.914 -0.228 0.000 2.809 1548 V HA -0.119 4.000 4.120 -0.003 0.000 0.256 1548 V C 2.134 178.039 176.094 -0.316 0.000 1.080 1548 V CA 1.687 63.827 62.300 -0.267 0.000 1.102 1548 V CB -1.230 30.406 31.823 -0.312 0.000 0.705 1548 V HN 0.076 nan 8.190 nan 0.000 0.475 1549 T N 1.372 115.714 114.554 -0.353 0.000 2.665 1549 T HA -0.179 4.170 4.350 -0.003 0.000 0.268 1549 T C 1.975 176.349 174.700 -0.543 0.000 1.035 1549 T CA 2.156 64.031 62.100 -0.375 0.000 1.151 1549 T CB -0.479 68.232 68.868 -0.262 0.000 0.862 1549 T HN 0.447 nan 8.240 nan 0.000 0.438 1550 V N 1.221 120.785 119.914 -0.583 0.000 2.407 1550 V HA -0.121 3.997 4.120 -0.003 0.000 0.248 1550 V C 2.450 178.231 176.094 -0.521 0.000 1.055 1550 V CA 1.228 63.046 62.300 -0.804 0.000 1.049 1550 V CB -0.740 30.797 31.823 -0.476 0.000 0.662 1550 V HN 0.292 nan 8.190 nan 0.000 0.455 1551 L N -0.200 120.826 121.223 -0.327 0.000 2.012 1551 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 1551 L C 2.493 179.229 176.870 -0.223 0.000 1.073 1551 L CA 1.830 56.537 54.840 -0.222 0.000 0.748 1551 L CB -1.066 40.889 42.059 -0.173 0.000 0.891 1551 L HN 0.365 nan 8.230 nan 0.000 0.431 1552 Q N -0.869 118.780 119.800 -0.252 0.000 2.500 1552 Q HA -0.075 4.264 4.340 -0.003 0.000 0.213 1552 Q C 0.781 176.661 176.000 -0.200 0.000 0.974 1552 Q CA 0.636 56.318 55.803 -0.201 0.000 0.918 1552 Q CB 0.018 28.642 28.738 -0.191 0.000 0.980 1552 Q HN 0.526 nan 8.270 nan 0.000 0.505 1553 N N -0.196 118.334 118.700 -0.282 0.000 2.160 1553 N HA 0.043 4.781 4.740 -0.003 0.000 0.226 1553 N C -0.334 175.077 175.510 -0.164 0.000 1.256 1553 N CA 0.331 53.242 53.050 -0.231 0.000 0.890 1553 N CB 1.336 39.690 38.487 -0.222 0.000 1.116 1553 N HN 0.159 nan 8.380 nan 0.000 0.517 1554 T N -2.485 111.971 114.554 -0.162 0.000 2.905 1554 T HA 0.340 4.688 4.350 -0.003 0.000 0.283 1554 T C -0.123 174.549 174.700 -0.048 0.000 1.031 1554 T CA -0.360 61.709 62.100 -0.052 0.000 1.002 1554 T CB 1.696 70.554 68.868 -0.016 0.000 1.200 1554 T HN -0.151 nan 8.240 nan 0.000 0.560 1555 D N 0.092 120.490 120.400 -0.003 0.000 2.792 1555 D HA -0.147 4.491 4.640 -0.003 0.000 0.231 1555 D C 1.221 177.501 176.300 -0.033 0.000 1.160 1555 D CA 2.074 56.069 54.000 -0.010 0.000 0.697 1555 D CB -1.598 39.195 40.800 -0.012 0.000 1.070 1555 D HN 1.549 nan 8.370 nan 0.000 0.426 1556 G N -0.480 108.290 108.800 -0.049 0.000 2.148 1556 G HA2 -0.400 3.559 3.960 -0.003 0.000 0.254 1556 G HA3 -0.400 3.559 3.960 -0.003 0.000 0.254 1556 G C 0.964 175.816 174.900 -0.079 0.000 0.981 1556 G CA 0.402 45.463 45.100 -0.064 0.000 0.670 1556 G HN 0.435 nan 8.290 nan 0.000 0.528 1557 N N 0.217 118.863 118.700 -0.091 0.000 2.457 1557 N HA -0.009 4.729 4.740 -0.003 0.000 0.180 1557 N C 0.582 176.025 175.510 -0.113 0.000 1.050 1557 N CA 0.735 53.727 53.050 -0.096 0.000 0.906 1557 N CB 0.019 38.443 38.487 -0.105 0.000 0.968 1557 N HN 0.564 nan 8.380 nan 0.000 0.445 1558 N N 0.589 119.199 118.700 -0.151 0.000 2.342 1558 N HA 0.116 4.855 4.740 -0.003 0.000 0.293 1558 N C 0.293 175.680 175.510 -0.205 0.000 1.026 1558 N CA -0.344 52.596 53.050 -0.184 0.000 0.857 1558 N CB 1.254 39.579 38.487 -0.270 0.000 1.256 1558 N HN -0.234 nan 8.380 nan 0.000 0.484 1559 N N 1.824 120.435 118.700 -0.148 0.000 2.270 1559 N HA -0.039 4.699 4.740 -0.003 0.000 0.181 1559 N C -0.539 174.882 175.510 -0.148 0.000 1.016 1559 N CA 0.808 53.789 53.050 -0.116 0.000 0.870 1559 N CB 0.070 38.519 38.487 -0.063 0.000 0.979 1559 N HN 0.642 nan 8.380 nan 0.000 0.431 1560 E N -0.256 119.823 120.200 -0.202 0.000 2.481 1560 E HA -0.030 4.318 4.350 -0.003 0.000 0.263 1560 E C 0.897 177.335 176.600 -0.270 0.000 0.992 1560 E CA 0.114 56.395 56.400 -0.199 0.000 0.938 1560 E CB 0.540 30.120 29.700 -0.200 0.000 0.933 1560 E HN 0.313 nan 8.360 nan 0.000 0.453 1561 A N 5.250 128.026 122.820 -0.074 0.000 1.917 1561 A HA -0.187 4.132 4.320 -0.003 0.000 0.219 1561 A C 1.836 179.420 177.584 -0.001 0.000 1.182 1561 A CA 1.689 53.717 52.037 -0.015 0.000 0.633 1561 A CB -0.839 18.202 19.000 0.068 0.000 0.819 1561 A HN 0.962 nan 8.150 nan 0.000 0.448 1562 W N -1.280 120.056 121.300 0.060 0.000 2.421 1562 W HA 0.153 4.811 4.660 -0.003 0.000 0.270 1562 W C 1.545 178.112 176.519 0.079 0.000 1.233 1562 W CA 1.107 58.492 57.345 0.066 0.000 1.226 1562 W CB -0.684 28.820 29.460 0.074 0.000 1.121 1562 W HN 0.400 nan 8.180 nan 0.000 0.579 1563 A N 0.632 123.017 122.820 -0.725 0.000 2.140 1563 A HA 0.072 4.390 4.320 -0.003 0.000 0.209 1563 A C 2.068 179.482 177.584 -0.282 0.000 1.181 1563 A CA 0.116 51.728 52.037 -0.710 0.000 0.824 1563 A CB -0.349 17.845 19.000 -1.343 0.000 0.879 1563 A HN -0.086 nan 8.150 nan 0.000 0.480 1564 K N 0.925 121.187 120.400 -0.229 0.000 2.113 1564 K HA -0.151 4.167 4.320 -0.003 0.000 0.208 1564 K C 0.347 176.915 176.600 -0.052 0.000 1.047 1564 K CA 1.559 57.771 56.287 -0.126 0.000 0.928 1564 K CB -0.228 32.218 32.500 -0.090 0.000 0.716 1564 K HN 0.440 nan 8.250 nan 0.000 0.446 1565 D N 0.212 120.605 120.400 -0.012 0.000 2.349 1565 D HA 0.054 4.692 4.640 -0.003 0.000 0.214 1565 D C 0.307 176.648 176.300 0.069 0.000 1.063 1565 D CA 0.002 54.018 54.000 0.026 0.000 0.847 1565 D CB 0.276 41.097 40.800 0.035 0.000 0.933 1565 D HN 0.110 nan 8.370 nan 0.000 0.513 1566 L N 1.228 122.509 121.223 0.097 0.000 2.410 1566 L HA 0.144 4.482 4.340 -0.003 0.000 0.273 1566 L C 0.488 177.471 176.870 0.188 0.000 1.152 1566 L CA 0.169 55.137 54.840 0.213 0.000 0.855 1566 L CB 0.526 42.779 42.059 0.322 0.000 1.129 1566 L HN -0.382 nan 8.230 nan 0.000 0.463 1567 K N 2.582 123.117 120.400 0.225 0.000 2.164 1567 K HA 0.222 4.540 4.320 -0.003 0.000 0.258 1567 K C 0.566 177.328 176.600 0.270 0.000 0.951 1567 K CA -0.851 55.539 56.287 0.173 0.000 0.844 1567 K CB 2.028 34.590 32.500 0.103 0.000 1.099 1567 K HN 0.280 nan 8.250 nan 0.000 0.435 1568 L N 2.788 124.120 121.223 0.182 0.000 2.021 1568 L HA -0.281 4.058 4.340 -0.003 0.000 0.215 1568 L C 1.944 178.953 176.870 0.232 0.000 1.074 1568 L CA 2.255 57.208 54.840 0.189 0.000 0.760 1568 L CB -0.537 41.570 42.059 0.080 0.000 0.889 1568 L HN 0.943 nan 8.230 nan 0.000 0.433 1569 A N -1.742 121.162 122.820 0.141 0.000 2.216 1569 A HA -0.140 4.178 4.320 -0.003 0.000 0.214 1569 A C 1.566 179.183 177.584 0.055 0.000 1.160 1569 A CA 1.468 53.558 52.037 0.087 0.000 0.725 1569 A CB -0.582 18.447 19.000 0.048 0.000 0.784 1569 A HN 0.517 nan 8.150 nan 0.000 0.472 1570 D N -1.542 118.892 120.400 0.056 0.000 2.339 1570 D HA 0.241 4.879 4.640 -0.003 0.000 0.217 1570 D C -0.477 175.539 176.300 -0.474 0.000 1.050 1570 D CA 0.392 54.271 54.000 -0.202 0.000 0.856 1570 D CB 0.050 40.676 40.800 -0.290 0.000 0.922 1570 D HN 0.403 nan 8.370 nan 0.000 0.518 1571 F N 0.221 120.212 119.950 0.069 0.000 2.561 1571 F HA 0.680 5.205 4.527 -0.003 0.000 0.321 1571 F C 0.312 176.146 175.800 0.057 0.000 1.065 1571 F CA -1.219 56.829 58.000 0.080 0.000 0.934 1571 F CB 1.668 40.760 39.000 0.154 0.000 1.215 1571 F HN -0.289 nan 8.300 nan 0.000 0.471 1572 A N 1.876 124.824 122.820 0.214 0.000 2.485 1572 A HA 0.913 5.232 4.320 -0.003 0.000 0.292 1572 A C -1.578 176.088 177.584 0.136 0.000 1.147 1572 A CA -0.770 51.349 52.037 0.136 0.000 0.750 1572 A CB 1.389 20.436 19.000 0.078 0.000 1.331 1572 A HN 0.723 nan 8.150 nan 0.000 0.419 1573 L N 0.556 121.840 121.223 0.101 0.000 2.334 1573 L HA 0.483 4.821 4.340 -0.003 0.000 0.275 1573 L C -0.761 176.162 176.870 0.089 0.000 1.036 1573 L CA -0.512 54.384 54.840 0.092 0.000 0.807 1573 L CB 1.396 43.501 42.059 0.075 0.000 1.231 1573 L HN 0.537 nan 8.230 nan 0.000 0.438 1574 L N 2.258 123.548 121.223 0.111 0.000 2.261 1574 L HA 0.343 4.682 4.340 -0.003 0.000 0.289 1574 L C -0.378 176.533 176.870 0.070 0.000 1.059 1574 L CA -0.528 54.397 54.840 0.142 0.000 0.816 1574 L CB 0.892 43.113 42.059 0.270 0.000 1.191 1574 L HN 0.688 nan 8.230 nan 0.000 0.431 1575 c N 3.110 121.728 118.600 0.030 0.000 2.520 1575 c HA 0.209 4.777 4.570 -0.003 0.000 0.376 1575 c C 2.019 176.035 174.090 -0.123 0.000 1.268 1575 c CA -0.787 55.502 56.329 -0.068 0.000 2.414 1575 c CB 0.751 43.230 42.510 -0.052 0.000 2.521 1575 c HN 0.797 nan 8.230 nan 0.000 0.618 1576 L N 1.331 122.385 121.223 -0.281 0.000 2.465 1576 L HA -0.066 4.273 4.340 -0.003 0.000 0.224 1576 L C 1.597 178.398 176.870 -0.115 0.000 1.145 1576 L CA 1.078 55.676 54.840 -0.402 0.000 0.834 1576 L CB -0.497 41.293 42.059 -0.448 0.000 0.944 1576 L HN 0.803 nan 8.230 nan 0.000 0.451 1577 D N -0.966 119.401 120.400 -0.055 0.000 2.328 1577 D HA 0.076 4.715 4.640 -0.003 0.000 0.221 1577 D C 1.446 177.777 176.300 0.052 0.000 1.072 1577 D CA 0.598 54.599 54.000 0.002 0.000 0.850 1577 D CB 0.234 41.022 40.800 -0.021 0.000 0.922 1577 D HN 0.171 nan 8.370 nan 0.000 0.516 1578 G N 0.040 108.901 108.800 0.102 0.000 2.176 1578 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.253 1578 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.253 1578 G C 0.304 175.255 174.900 0.085 0.000 0.979 1578 G CA 0.220 45.396 45.100 0.126 0.000 0.641 1578 G HN 0.468 nan 8.290 nan 0.000 0.530 1579 K N -0.203 120.231 120.400 0.056 0.000 2.102 1579 K HA 0.665 4.984 4.320 -0.003 0.000 0.244 1579 K C 0.528 177.159 176.600 0.053 0.000 1.021 1579 K CA -0.445 55.867 56.287 0.042 0.000 0.913 1579 K CB 0.595 33.108 32.500 0.021 0.000 1.062 1579 K HN 0.219 nan 8.250 nan 0.000 0.485 1580 R N 1.097 121.623 120.500 0.044 0.000 2.534 1580 R HA 0.350 4.689 4.340 -0.003 0.000 0.301 1580 R C -0.761 175.562 176.300 0.039 0.000 0.961 1580 R CA -0.661 55.468 56.100 0.049 0.000 0.871 1580 R CB 1.744 32.073 30.300 0.047 0.000 1.170 1580 R HN 0.384 nan 8.270 nan 0.000 0.446 1581 K N 2.363 122.789 120.400 0.043 0.000 2.443 1581 K HA 0.480 4.799 4.320 -0.003 0.000 0.251 1581 K C -2.662 173.967 176.600 0.049 0.000 0.972 1581 K CA -2.272 54.038 56.287 0.038 0.000 0.833 1581 K CB 2.119 34.637 32.500 0.030 0.000 1.317 1581 K HN 0.249 nan 8.250 nan 0.000 0.441 1582 P HA -0.037 nan 4.420 nan 0.000 0.268 1582 P C 0.661 177.993 177.300 0.053 0.000 1.208 1582 P CA -0.228 62.903 63.100 0.052 0.000 0.777 1582 P CB 0.521 32.244 31.700 0.039 0.000 0.875 1583 V N 1.229 121.180 119.914 0.063 0.000 2.759 1583 V HA -0.180 3.938 4.120 -0.003 0.000 0.256 1583 V C 2.047 178.153 176.094 0.019 0.000 1.080 1583 V CA 2.479 64.807 62.300 0.046 0.000 1.101 1583 V CB -1.755 30.093 31.823 0.042 0.000 0.698 1583 V HN 0.713 nan 8.190 nan 0.000 0.477 1584 T N -2.282 112.283 114.554 0.018 0.000 3.113 1584 T HA -0.039 4.309 4.350 -0.003 0.000 0.263 1584 T C 1.037 175.743 174.700 0.010 0.000 1.143 1584 T CA 0.717 62.820 62.100 0.005 0.000 1.090 1584 T CB -0.132 68.739 68.868 0.005 0.000 0.922 1584 T HN 0.503 nan 8.240 nan 0.000 0.521 1585 E N 0.375 120.589 120.200 0.022 0.000 2.609 1585 E HA 0.470 4.818 4.350 -0.003 0.000 0.208 1585 E C 1.562 178.189 176.600 0.046 0.000 1.013 1585 E CA -0.039 56.378 56.400 0.028 0.000 1.093 1585 E CB 0.557 30.273 29.700 0.026 0.000 1.129 1585 E HN 0.573 nan 8.360 nan 0.000 0.450 1586 A N 1.119 123.967 122.820 0.047 0.000 1.978 1586 A HA -0.207 4.111 4.320 -0.003 0.000 0.220 1586 A C 2.106 179.790 177.584 0.167 0.000 1.170 1586 A CA 1.074 53.162 52.037 0.084 0.000 0.636 1586 A CB -0.145 18.883 19.000 0.046 0.000 0.810 1586 A HN 0.027 nan 8.150 nan 0.000 0.448 1587 R N 0.746 121.310 120.500 0.107 0.000 2.139 1587 R HA -0.113 4.225 4.340 -0.003 0.000 0.243 1587 R C 2.029 178.480 176.300 0.253 0.000 1.145 1587 R CA 1.792 57.971 56.100 0.133 0.000 0.976 1587 R CB -0.861 29.470 30.300 0.051 0.000 0.866 1587 R HN 0.682 nan 8.270 nan 0.000 0.449 1588 S N -2.930 112.851 115.700 0.135 0.000 2.593 1588 S HA 0.124 4.592 4.470 -0.003 0.000 0.236 1588 S C 0.521 175.102 174.600 -0.032 0.000 0.991 1588 S CA -0.351 57.873 58.200 0.041 0.000 0.963 1588 S CB -0.117 63.094 63.200 0.018 0.000 0.865 1588 S HN 0.230 nan 8.310 nan 0.000 0.488 1589 c N 3.979 122.586 118.600 0.011 0.000 3.392 1589 c HA 0.488 5.056 4.570 -0.003 0.000 0.217 1589 c C -0.545 173.546 174.090 0.002 0.000 1.222 1589 c CA -0.463 55.838 56.329 -0.046 0.000 1.200 1589 c CB -1.085 41.426 42.510 0.002 0.000 1.818 1589 c HN 0.768 nan 8.230 nan 0.000 0.586 1590 H N 0.665 119.704 119.070 -0.051 0.000 2.894 1590 H HA 0.483 5.037 4.556 -0.003 0.000 0.368 1590 H C 0.091 175.358 175.328 -0.102 0.000 1.181 1590 H CA -0.871 55.147 56.048 -0.050 0.000 1.146 1590 H CB 0.893 30.637 29.762 -0.031 0.000 1.839 1590 H HN 0.271 nan 8.280 nan 0.000 0.557 1591 L N 0.098 121.336 121.223 0.024 0.000 2.068 1591 L HA 0.296 4.634 4.340 -0.003 0.000 0.204 1591 L C 0.992 177.847 176.870 -0.025 0.000 1.076 1591 L CA 1.321 56.095 54.840 -0.111 0.000 0.753 1591 L CB -0.174 41.837 42.059 -0.081 0.000 0.910 1591 L HN 0.810 nan 8.230 nan 0.000 0.439 1592 A N -1.157 121.743 122.820 0.134 0.000 2.544 1592 A HA 0.518 4.836 4.320 -0.003 0.000 0.291 1592 A C -1.443 176.186 177.584 0.074 0.000 1.055 1592 A CA -0.630 51.487 52.037 0.134 0.000 0.651 1592 A CB 0.892 19.916 19.000 0.039 0.000 1.296 1592 A HN -0.049 nan 8.150 nan 0.000 0.431 1593 M N 0.913 120.512 119.600 -0.003 0.000 2.250 1593 M HA 0.663 5.141 4.480 -0.003 0.000 0.344 1593 M C 0.110 176.294 176.300 -0.193 0.000 1.150 1593 M CA 0.538 55.754 55.300 -0.140 0.000 1.147 1593 M CB 1.209 33.743 32.600 -0.110 0.000 1.498 1593 M HN 1.448 nan 8.290 nan 0.000 0.461 1594 A N 5.688 128.240 122.820 -0.447 0.000 2.365 1594 A HA 0.900 5.219 4.320 -0.003 0.000 0.318 1594 A C -2.738 174.539 177.584 -0.512 0.000 1.091 1594 A CA -1.627 50.080 52.037 -0.550 0.000 0.763 1594 A CB 0.726 19.218 19.000 -0.847 0.000 1.248 1594 A HN 0.600 nan 8.150 nan 0.000 0.442 1595 P HA 0.099 nan 4.420 nan 0.000 0.271 1595 P C -0.623 176.823 177.300 0.244 0.000 1.216 1595 P CA -0.165 62.837 63.100 -0.162 0.000 0.776 1595 P CB 0.339 31.839 31.700 -0.334 0.000 0.881 1596 N N 1.201 120.118 118.700 0.362 0.000 2.345 1596 N HA -0.039 4.699 4.740 -0.003 0.000 0.243 1596 N C 0.436 176.364 175.510 0.697 0.000 1.246 1596 N CA 0.399 53.818 53.050 0.615 0.000 0.863 1596 N CB -0.410 38.238 38.487 0.268 0.000 1.096 1596 N HN 0.442 nan 8.380 nan 0.000 0.446 1597 H N 0.035 119.409 119.070 0.507 0.000 2.948 1597 H HA 0.304 4.859 4.556 -0.002 0.000 0.351 1597 H C -0.155 175.336 175.328 0.272 0.000 1.079 1597 H CA -0.336 55.944 56.048 0.386 0.000 1.407 1597 H CB 0.548 30.542 29.762 0.387 0.000 1.373 1597 H HN 0.559 nan 8.280 nan 0.000 0.605 1598 A N 2.894 125.879 122.820 0.276 0.000 2.435 1598 A HA 0.414 4.733 4.320 -0.003 0.000 0.304 1598 A C -0.561 177.093 177.584 0.116 0.000 1.064 1598 A CA -0.744 51.340 52.037 0.079 0.000 0.727 1598 A CB 1.328 20.137 19.000 -0.318 0.000 1.284 1598 A HN 0.467 nan 8.150 nan 0.000 0.415 1599 V N 2.305 122.306 119.914 0.144 0.000 2.470 1599 V HA 0.382 4.500 4.120 -0.003 0.000 0.276 1599 V C 0.508 176.616 176.094 0.024 0.000 1.040 1599 V CA 0.074 62.464 62.300 0.149 0.000 1.008 1599 V CB 0.595 32.603 31.823 0.309 0.000 0.990 1599 V HN 0.971 nan 8.190 nan 0.000 0.477 1600 V N 2.760 122.653 119.914 -0.035 0.000 2.881 1600 V HA 1.002 5.120 4.120 -0.003 0.000 0.316 1600 V C -0.232 175.815 176.094 -0.078 0.000 1.070 1600 V CA -0.131 62.138 62.300 -0.052 0.000 0.976 1600 V CB 2.007 33.800 31.823 -0.050 0.000 1.038 1600 V HN 0.814 nan 8.190 nan 0.000 0.446 1601 S N 1.175 116.846 115.700 -0.049 0.000 2.800 1601 S HA 0.595 5.063 4.470 -0.003 0.000 0.293 1601 S C -0.821 173.762 174.600 -0.028 0.000 1.209 1601 S CA -1.043 57.127 58.200 -0.049 0.000 0.884 1601 S CB 1.726 64.912 63.200 -0.024 0.000 1.244 1601 S HN 0.933 nan 8.310 nan 0.000 0.540 1602 R N 0.899 121.388 120.500 -0.018 0.000 2.459 1602 R HA 0.368 4.707 4.340 -0.003 0.000 0.281 1602 R C 1.305 177.607 176.300 0.003 0.000 1.050 1602 R CA -0.315 55.782 56.100 -0.005 0.000 1.055 1602 R CB 0.319 30.620 30.300 0.002 0.000 1.045 1602 R HN 0.634 nan 8.270 nan 0.000 0.495 1603 M N 1.375 120.976 119.600 0.002 0.000 2.108 1603 M HA -0.257 4.221 4.480 -0.003 0.000 0.257 1603 M C 1.349 177.660 176.300 0.018 0.000 1.071 1603 M CA 2.280 57.584 55.300 0.006 0.000 1.093 1603 M CB -0.498 32.097 32.600 -0.008 0.000 1.345 1603 M HN 0.706 nan 8.290 nan 0.000 0.403 1604 D N -0.569 119.842 120.400 0.018 0.000 2.310 1604 D HA -0.181 4.457 4.640 -0.003 0.000 0.212 1604 D C 1.782 178.101 176.300 0.031 0.000 0.965 1604 D CA 1.033 55.050 54.000 0.028 0.000 0.879 1604 D CB -0.055 40.758 40.800 0.022 0.000 0.921 1604 D HN 0.152 nan 8.370 nan 0.000 0.510 1605 K N -0.234 120.182 120.400 0.027 0.000 2.355 1605 K HA 0.214 4.532 4.320 -0.003 0.000 0.198 1605 K C 1.479 178.106 176.600 0.045 0.000 1.039 1605 K CA -0.009 56.298 56.287 0.033 0.000 1.075 1605 K CB 0.294 32.808 32.500 0.024 0.000 0.870 1605 K HN 0.021 nan 8.250 nan 0.000 0.540 1606 V N 1.611 121.550 119.914 0.041 0.000 2.252 1606 V HA -0.290 3.828 4.120 -0.003 0.000 0.249 1606 V C 1.871 178.000 176.094 0.059 0.000 1.056 1606 V CA 2.051 64.379 62.300 0.047 0.000 1.022 1606 V CB -0.287 31.558 31.823 0.036 0.000 0.641 1606 V HN 0.364 nan 8.190 nan 0.000 0.445 1607 E N -0.143 120.091 120.200 0.056 0.000 2.077 1607 E HA -0.221 4.127 4.350 -0.003 0.000 0.193 1607 E C 2.286 178.925 176.600 0.066 0.000 0.989 1607 E CA 1.240 57.675 56.400 0.059 0.000 0.800 1607 E CB -0.470 29.263 29.700 0.056 0.000 0.746 1607 E HN 0.442 nan 8.360 nan 0.000 0.452 1608 R N 1.170 121.709 120.500 0.066 0.000 2.092 1608 R HA -0.090 4.248 4.340 -0.003 0.000 0.231 1608 R C 2.245 178.598 176.300 0.089 0.000 1.119 1608 R CA 0.816 56.956 56.100 0.067 0.000 0.970 1608 R CB -0.809 29.524 30.300 0.055 0.000 0.864 1608 R HN 0.220 nan 8.270 nan 0.000 0.440 1609 L N 0.742 122.027 121.223 0.104 0.000 2.056 1609 L HA -0.037 4.301 4.340 -0.003 0.000 0.207 1609 L C 1.897 178.873 176.870 0.176 0.000 1.078 1609 L CA 1.862 56.794 54.840 0.154 0.000 0.749 1609 L CB -0.505 41.643 42.059 0.148 0.000 0.901 1609 L HN 0.125 nan 8.230 nan 0.000 0.433 1610 K N -0.751 119.730 120.400 0.134 0.000 2.020 1610 K HA -0.286 4.032 4.320 -0.003 0.000 0.212 1610 K C 2.219 178.897 176.600 0.130 0.000 1.050 1610 K CA 2.234 58.597 56.287 0.126 0.000 0.929 1610 K CB -0.266 32.286 32.500 0.086 0.000 0.714 1610 K HN 0.505 nan 8.250 nan 0.000 0.443 1611 Q N 0.505 120.370 119.800 0.109 0.000 2.061 1611 Q HA -0.169 4.169 4.340 -0.003 0.000 0.204 1611 Q C 2.023 178.106 176.000 0.138 0.000 0.984 1611 Q CA 1.652 57.517 55.803 0.102 0.000 0.846 1611 Q CB 0.071 28.851 28.738 0.069 0.000 0.902 1611 Q HN 0.120 nan 8.270 nan 0.000 0.421 1612 V N 0.958 120.959 119.914 0.145 0.000 2.407 1612 V HA -0.276 3.843 4.120 -0.003 0.000 0.248 1612 V C 2.267 178.525 176.094 0.273 0.000 1.055 1612 V CA 1.456 63.866 62.300 0.184 0.000 1.049 1612 V CB -0.426 31.492 31.823 0.159 0.000 0.662 1612 V HN 0.403 nan 8.190 nan 0.000 0.455 1613 L N -1.033 120.354 121.223 0.273 0.000 2.072 1613 L HA -0.102 4.236 4.340 -0.003 0.000 0.205 1613 L C 2.355 179.351 176.870 0.210 0.000 1.079 1613 L CA 1.337 56.360 54.840 0.304 0.000 0.752 1613 L CB -0.363 41.892 42.059 0.326 0.000 0.906 1613 L HN 0.301 nan 8.230 nan 0.000 0.436 1614 L N -1.168 120.156 121.223 0.169 0.000 2.083 1614 L HA -0.264 4.075 4.340 -0.003 0.000 0.209 1614 L C 2.704 179.635 176.870 0.101 0.000 1.083 1614 L CA 1.129 56.037 54.840 0.114 0.000 0.752 1614 L CB -0.891 41.225 42.059 0.095 0.000 0.899 1614 L HN 0.382 nan 8.230 nan 0.000 0.433 1615 H N 0.342 119.446 119.070 0.056 0.000 2.267 1615 H HA -0.182 4.373 4.556 -0.003 0.000 0.297 1615 H C 2.210 177.543 175.328 0.007 0.000 1.080 1615 H CA 1.835 57.899 56.048 0.027 0.000 1.278 1615 H CB 0.197 29.983 29.762 0.040 0.000 1.365 1615 H HN 0.314 nan 8.280 nan 0.000 0.489 1616 Q N 0.349 120.237 119.800 0.147 0.000 2.135 1616 Q HA -0.208 4.130 4.340 -0.003 0.000 0.204 1616 Q C 2.434 178.402 176.000 -0.054 0.000 0.981 1616 Q CA 1.932 57.823 55.803 0.146 0.000 0.856 1616 Q CB -0.376 28.684 28.738 0.537 0.000 0.902 1616 Q HN 0.779 nan 8.270 nan 0.000 0.425 1617 Q N -0.561 119.212 119.800 -0.045 0.000 2.187 1617 Q HA 0.050 4.388 4.340 -0.003 0.000 0.199 1617 Q C 1.921 177.841 176.000 -0.132 0.000 0.957 1617 Q CA 1.080 56.821 55.803 -0.103 0.000 0.857 1617 Q CB -0.220 28.525 28.738 0.011 0.000 0.929 1617 Q HN 0.207 nan 8.270 nan 0.000 0.453 1618 A N 1.482 124.209 122.820 -0.155 0.000 2.024 1618 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 1618 A C 1.925 179.341 177.584 -0.280 0.000 1.164 1618 A CA 1.624 53.549 52.037 -0.187 0.000 0.643 1618 A CB -0.251 18.633 19.000 -0.193 0.000 0.806 1618 A HN 0.367 nan 8.150 nan 0.000 0.451 1619 K N -2.458 117.673 120.400 -0.449 0.000 2.276 1619 K HA 0.169 4.487 4.320 -0.003 0.000 0.198 1619 K C 0.278 176.519 176.600 -0.598 0.000 1.052 1619 K CA 0.718 56.603 56.287 -0.669 0.000 0.984 1619 K CB 0.160 31.981 32.500 -1.133 0.000 0.836 1619 K HN 0.497 nan 8.250 nan 0.000 0.490 1620 F N 0.151 120.000 119.950 -0.168 0.000 2.798 1620 F HA 0.275 4.800 4.527 -0.003 0.000 0.328 1620 F C 1.216 176.760 175.800 -0.425 0.000 1.098 1620 F CA -0.835 57.021 58.000 -0.239 0.000 1.172 1620 F CB 0.097 38.984 39.000 -0.188 0.000 1.072 1620 F HN -0.125 nan 8.300 nan 0.000 0.555 1621 G N -0.017 108.655 108.800 -0.214 0.000 2.508 1621 G HA2 0.194 4.152 3.960 -0.003 0.000 0.278 1621 G HA3 0.194 4.152 3.960 -0.003 0.000 0.278 1621 G C 1.072 175.967 174.900 -0.007 0.000 1.389 1621 G CA -0.413 44.583 45.100 -0.174 0.000 1.050 1621 G HN 0.069 nan 8.290 nan 0.000 0.522 1622 R N -0.760 119.827 120.500 0.146 0.000 2.096 1622 R HA -0.034 4.304 4.340 -0.003 0.000 0.235 1622 R C 1.719 178.025 176.300 0.009 0.000 1.127 1622 R CA 1.214 57.353 56.100 0.066 0.000 0.968 1622 R CB -0.160 30.176 30.300 0.060 0.000 0.861 1622 R HN 0.527 nan 8.270 nan 0.000 0.440 1623 N N 0.374 119.076 118.700 0.003 0.000 2.362 1623 N HA 0.028 4.767 4.740 -0.003 0.000 0.211 1623 N C -0.038 175.448 175.510 -0.039 0.000 1.170 1623 N CA -0.460 52.578 53.050 -0.019 0.000 0.828 1623 N CB 0.639 39.114 38.487 -0.021 0.000 1.034 1623 N HN 0.147 nan 8.380 nan 0.000 0.475 1624 G N 0.523 109.296 108.800 -0.045 0.000 2.365 1624 G HA2 0.016 3.975 3.960 -0.003 0.000 0.249 1624 G HA3 0.016 3.975 3.960 -0.003 0.000 0.249 1624 G C 0.990 175.854 174.900 -0.061 0.000 1.288 1624 G CA -0.430 44.627 45.100 -0.072 0.000 0.887 1624 G HN 0.206 nan 8.290 nan 0.000 0.524 1625 S N 0.758 116.400 115.700 -0.097 0.000 2.428 1625 S HA -0.061 4.407 4.470 -0.003 0.000 0.230 1625 S C 1.057 175.636 174.600 -0.034 0.000 1.014 1625 S CA 1.270 59.426 58.200 -0.074 0.000 0.957 1625 S CB 0.240 63.377 63.200 -0.105 0.000 0.784 1625 S HN 0.515 nan 8.310 nan 0.000 0.499 1626 D N 0.187 120.579 120.400 -0.014 0.000 2.431 1626 D HA 0.229 4.867 4.640 -0.003 0.000 0.213 1626 D C -0.345 176.066 176.300 0.185 0.000 1.130 1626 D CA -0.016 54.059 54.000 0.126 0.000 0.834 1626 D CB 0.911 41.868 40.800 0.262 0.000 0.985 1626 D HN 0.398 nan 8.370 nan 0.000 0.504 1627 c N 2.530 121.185 118.600 0.090 0.000 2.345 1627 c HA 0.484 5.053 4.570 -0.003 0.000 0.323 1627 c C -1.839 172.249 174.090 -0.004 0.000 1.276 1627 c CA -1.744 54.603 56.329 0.029 0.000 1.543 1627 c CB 1.292 43.786 42.510 -0.026 0.000 2.211 1627 c HN 0.044 nan 8.230 nan 0.000 0.493 1628 P HA 0.202 nan 4.420 nan 0.000 0.274 1628 P C 0.406 177.712 177.300 0.010 0.000 1.352 1628 P CA 0.479 63.567 63.100 -0.020 0.000 0.947 1628 P CB 0.198 31.879 31.700 -0.033 0.000 1.437 1629 D N 0.348 120.766 120.400 0.031 0.000 2.363 1629 D HA -0.059 4.579 4.640 -0.003 0.000 0.226 1629 D C 1.426 177.763 176.300 0.061 0.000 1.020 1629 D CA 0.810 54.832 54.000 0.036 0.000 0.892 1629 D CB 0.714 41.533 40.800 0.031 0.000 0.900 1629 D HN 0.305 nan 8.370 nan 0.000 0.531 1630 K N -1.084 119.374 120.400 0.097 0.000 2.625 1630 K HA 0.142 4.461 4.320 -0.003 0.000 0.202 1630 K C -0.726 175.977 176.600 0.172 0.000 1.412 1630 K CA -0.087 56.282 56.287 0.137 0.000 0.989 1630 K CB 1.335 33.960 32.500 0.209 0.000 1.682 1630 K HN -0.035 nan 8.250 nan 0.000 0.496 1631 F N 0.356 120.276 119.950 -0.049 0.000 2.669 1631 F HA 0.383 4.908 4.527 -0.003 0.000 0.315 1631 F C -2.108 173.585 175.800 -0.179 0.000 1.109 1631 F CA -1.098 56.778 58.000 -0.208 0.000 1.028 1631 F CB 1.166 39.872 39.000 -0.490 0.000 1.287 1631 F HN -0.004 nan 8.300 nan 0.000 0.452 1632 c N 6.943 124.920 118.600 -1.039 0.000 2.301 1632 c HA 0.382 4.951 4.570 -0.003 0.000 0.323 1632 c C 1.235 174.557 174.090 -1.281 0.000 1.265 1632 c CA -0.680 55.145 56.329 -0.840 0.000 1.503 1632 c CB 0.618 42.867 42.510 -0.436 0.000 2.195 1632 c HN 0.953 nan 8.230 nan 0.000 0.477 1633 L N 2.332 122.861 121.223 -1.155 0.000 2.079 1633 L HA 0.014 4.352 4.340 -0.003 0.000 0.210 1633 L C 1.301 177.657 176.870 -0.856 0.000 1.081 1633 L CA 2.106 56.216 54.840 -1.216 0.000 0.752 1633 L CB -0.512 40.585 42.059 -1.603 0.000 0.896 1633 L HN 0.675 nan 8.230 nan 0.000 0.433 1634 F N -1.559 118.171 119.950 -0.367 0.000 2.668 1634 F HA 0.397 4.922 4.527 -0.003 0.000 0.297 1634 F C 0.634 176.340 175.800 -0.156 0.000 1.124 1634 F CA -0.645 57.226 58.000 -0.215 0.000 1.353 1634 F CB -0.478 38.395 39.000 -0.212 0.000 0.992 1634 F HN 0.037 nan 8.300 nan 0.000 0.524 1635 Q N 0.178 119.914 119.800 -0.107 0.000 2.356 1635 Q HA 0.596 4.934 4.340 -0.003 0.000 0.270 1635 Q C 0.085 176.039 176.000 -0.077 0.000 1.058 1635 Q CA -0.406 55.347 55.803 -0.084 0.000 0.802 1635 Q CB 1.950 30.608 28.738 -0.134 0.000 1.303 1635 Q HN 0.092 nan 8.270 nan 0.000 0.444 1636 S N 1.551 117.243 115.700 -0.013 0.000 3.088 1636 S HA 0.075 4.543 4.470 -0.003 0.000 0.249 1636 S C -1.033 173.584 174.600 0.028 0.000 0.877 1636 S CA -0.133 58.077 58.200 0.016 0.000 1.184 1636 S CB -0.023 63.214 63.200 0.061 0.000 1.170 1636 S HN 0.755 nan 8.310 nan 0.000 0.603 1637 E N 1.188 121.391 120.200 0.006 0.000 2.513 1637 E HA -0.245 4.104 4.350 -0.003 0.000 0.156 1637 E C -0.596 176.020 176.600 0.026 0.000 1.740 1637 E CA 1.124 57.527 56.400 0.005 0.000 0.646 1637 E CB -2.897 26.805 29.700 0.003 0.000 1.080 1637 E HN 0.626 nan 8.360 nan 0.000 0.345 1638 T N 1.120 115.687 114.554 0.021 0.000 3.970 1638 T HA -0.202 4.146 4.350 -0.003 0.000 0.361 1638 T C 0.543 175.302 174.700 0.099 0.000 0.758 1638 T CA 1.563 63.687 62.100 0.039 0.000 1.940 1638 T CB -0.829 68.051 68.868 0.020 0.000 1.821 1638 T HN 0.665 nan 8.240 nan 0.000 0.818 1639 K N -0.145 120.317 120.400 0.104 0.000 2.538 1639 K HA 0.141 4.459 4.320 -0.003 0.000 0.215 1639 K C 0.532 177.228 176.600 0.159 0.000 1.345 1639 K CA -0.306 56.065 56.287 0.141 0.000 0.985 1639 K CB 0.518 33.094 32.500 0.126 0.000 1.116 1639 K HN 0.289 nan 8.250 nan 0.000 0.582 1640 N N 1.903 120.689 118.700 0.143 0.000 2.714 1640 N HA -0.184 4.555 4.740 -0.003 0.000 0.252 1640 N C -0.798 174.832 175.510 0.200 0.000 1.014 1640 N CA 0.818 53.974 53.050 0.176 0.000 0.735 1640 N CB -1.553 37.061 38.487 0.210 0.000 0.924 1640 N HN 0.267 nan 8.380 nan 0.000 0.540 1641 L N 0.516 121.843 121.223 0.175 0.000 2.290 1641 L HA 0.294 4.633 4.340 -0.003 0.000 0.284 1641 L C 1.972 178.940 176.870 0.162 0.000 1.078 1641 L CA -0.518 54.423 54.840 0.168 0.000 0.815 1641 L CB 0.648 42.792 42.059 0.142 0.000 1.162 1641 L HN 0.225 nan 8.230 nan 0.000 0.435 1642 L N 1.058 122.359 121.223 0.131 0.000 3.159 1642 L HA -0.345 3.993 4.340 -0.003 0.000 0.370 1642 L C -0.210 176.527 176.870 -0.223 0.000 1.458 1642 L CA 1.523 56.358 54.840 -0.009 0.000 3.093 1642 L CB -1.116 40.887 42.059 -0.094 0.000 1.152 1642 L HN 0.412 nan 8.230 nan 0.000 0.779 1643 F N -0.644 119.460 119.950 0.257 0.000 2.611 1643 F HA 0.433 4.959 4.527 -0.003 0.000 0.324 1643 F C 0.739 176.661 175.800 0.204 0.000 1.061 1643 F CA -0.781 57.383 58.000 0.272 0.000 0.954 1643 F CB 0.808 40.001 39.000 0.322 0.000 1.301 1643 F HN -0.097 nan 8.300 nan 0.000 0.482 1644 N N 1.366 120.279 118.700 0.355 0.000 2.513 1644 N HA -0.028 4.711 4.740 -0.003 0.000 0.268 1644 N C 0.107 175.690 175.510 0.122 0.000 1.180 1644 N CA 0.069 53.214 53.050 0.158 0.000 0.948 1644 N CB 0.842 39.320 38.487 -0.015 0.000 1.083 1644 N HN 0.628 nan 8.380 nan 0.000 0.455 1645 D N 0.662 121.097 120.400 0.058 0.000 2.263 1645 D HA -0.140 4.498 4.640 -0.003 0.000 0.208 1645 D C 1.046 177.334 176.300 -0.020 0.000 0.971 1645 D CA 1.069 55.090 54.000 0.036 0.000 0.867 1645 D CB 0.006 40.810 40.800 0.007 0.000 0.929 1645 D HN 0.625 nan 8.370 nan 0.000 0.492 1646 N N 0.367 119.022 118.700 -0.076 0.000 2.295 1646 N HA -0.053 4.685 4.740 -0.003 0.000 0.221 1646 N C -0.436 175.080 175.510 0.010 0.000 1.129 1646 N CA -0.018 52.981 53.050 -0.085 0.000 0.836 1646 N CB -0.067 38.303 38.487 -0.194 0.000 1.040 1646 N HN -0.253 nan 8.380 nan 0.000 0.494 1647 T N 1.116 115.641 114.554 -0.048 0.000 2.799 1647 T HA 0.007 4.355 4.350 -0.003 0.000 0.296 1647 T C 1.067 175.522 174.700 -0.410 0.000 0.947 1647 T CA -0.088 61.851 62.100 -0.267 0.000 1.141 1647 T CB 1.862 70.349 68.868 -0.635 0.000 0.891 1647 T HN 0.278 nan 8.240 nan 0.000 0.533 1648 E N 1.261 121.279 120.200 -0.303 0.000 2.051 1648 E HA -0.017 4.331 4.350 -0.003 0.000 0.189 1648 E C 0.849 177.254 176.600 -0.325 0.000 0.979 1648 E CA 0.693 56.950 56.400 -0.238 0.000 0.803 1648 E CB 0.290 29.908 29.700 -0.136 0.000 0.761 1648 E HN 0.875 nan 8.360 nan 0.000 0.451 1649 c N -2.136 116.219 118.600 -0.407 0.000 3.321 1649 c HA 0.566 5.134 4.570 -0.003 0.000 0.329 1649 c C -0.881 172.988 174.090 -0.369 0.000 1.394 1649 c CA -1.455 54.661 56.329 -0.355 0.000 1.291 1649 c CB 0.090 42.523 42.510 -0.128 0.000 1.606 1649 c HN 0.125 nan 8.230 nan 0.000 0.463 1650 L N 2.314 123.418 121.223 -0.197 0.000 2.290 1650 L HA 0.642 4.981 4.340 -0.003 0.000 0.284 1650 L C 0.687 177.527 176.870 -0.051 0.000 1.078 1650 L CA 0.187 54.971 54.840 -0.095 0.000 0.815 1650 L CB 0.900 42.977 42.059 0.029 0.000 1.162 1650 L HN 1.026 nan 8.230 nan 0.000 0.435 1651 A N 4.289 127.077 122.820 -0.053 0.000 2.380 1651 A HA 0.774 5.092 4.320 -0.003 0.000 0.315 1651 A C -0.338 177.213 177.584 -0.056 0.000 1.101 1651 A CA -0.829 51.180 52.037 -0.048 0.000 0.771 1651 A CB 1.141 20.114 19.000 -0.045 0.000 1.287 1651 A HN 0.758 nan 8.150 nan 0.000 0.436 1652 R N 0.058 120.484 120.500 -0.123 0.000 2.649 1652 R HA 0.399 4.737 4.340 -0.003 0.000 0.270 1652 R C 0.179 176.300 176.300 -0.299 0.000 1.105 1652 R CA -0.383 55.594 56.100 -0.205 0.000 1.193 1652 R CB 0.300 30.441 30.300 -0.266 0.000 1.120 1652 R HN 0.652 nan 8.270 nan 0.000 0.561 1653 L N 0.468 121.560 121.223 -0.218 0.000 2.556 1653 L HA 0.123 4.461 4.340 -0.003 0.000 0.226 1653 L C -0.123 176.770 176.870 0.039 0.000 1.089 1653 L CA -0.101 54.720 54.840 -0.033 0.000 0.864 1653 L CB -0.026 42.060 42.059 0.046 0.000 1.067 1653 L HN 0.698 nan 8.230 nan 0.000 0.477 1654 H N 0.143 119.249 119.070 0.060 0.000 2.826 1654 H HA -0.159 4.395 4.556 -0.003 0.000 0.306 1654 H C 1.404 176.759 175.328 0.045 0.000 1.235 1654 H CA 0.775 56.850 56.048 0.045 0.000 1.150 1654 H CB -1.646 28.140 29.762 0.039 0.000 1.409 1654 H HN 0.565 nan 8.280 nan 0.000 0.420 1655 G N -0.281 108.588 108.800 0.116 0.000 2.241 1655 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.244 1655 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.244 1655 G C 0.520 175.473 174.900 0.089 0.000 0.998 1655 G CA 0.339 45.492 45.100 0.088 0.000 0.621 1655 G HN 0.432 nan 8.290 nan 0.000 0.519 1656 K N 1.904 122.378 120.400 0.124 0.000 2.278 1656 K HA 0.344 4.663 4.320 -0.003 0.000 0.237 1656 K C 1.340 178.029 176.600 0.149 0.000 1.229 1656 K CA 0.622 56.998 56.287 0.148 0.000 1.155 1656 K CB 0.057 32.682 32.500 0.209 0.000 1.590 1656 K HN 0.456 nan 8.250 nan 0.000 0.290 1657 T N -3.255 111.354 114.554 0.091 0.000 3.054 1657 T HA -0.005 4.343 4.350 -0.003 0.000 0.255 1657 T C 0.784 175.521 174.700 0.062 0.000 1.035 1657 T CA -0.343 61.793 62.100 0.061 0.000 0.941 1657 T CB 0.118 69.011 68.868 0.042 0.000 1.026 1657 T HN 0.326 nan 8.240 nan 0.000 0.533 1658 T N -0.691 113.908 114.554 0.075 0.000 2.932 1658 T HA 0.470 4.819 4.350 -0.003 0.000 0.289 1658 T C 0.938 175.714 174.700 0.127 0.000 1.039 1658 T CA -0.750 61.402 62.100 0.086 0.000 1.024 1658 T CB 1.338 70.214 68.868 0.013 0.000 1.090 1658 T HN 0.221 nan 8.240 nan 0.000 0.496 1659 Y N 1.348 121.703 120.300 0.092 0.000 2.207 1659 Y HA -0.065 4.483 4.550 -0.003 0.000 0.287 1659 Y C 1.784 177.800 175.900 0.192 0.000 1.156 1659 Y CA 1.693 59.884 58.100 0.152 0.000 1.182 1659 Y CB -1.116 37.411 38.460 0.111 0.000 0.979 1659 Y HN 0.699 nan 8.280 nan 0.000 0.521 1660 E N 1.191 120.999 120.200 -0.653 0.000 2.072 1660 E HA -0.091 4.257 4.350 -0.003 0.000 0.191 1660 E C 1.877 178.412 176.600 -0.108 0.000 0.985 1660 E CA 1.607 57.743 56.400 -0.441 0.000 0.801 1660 E CB -0.236 29.155 29.700 -0.514 0.000 0.750 1660 E HN 0.515 nan 8.360 nan 0.000 0.452 1661 K N -0.282 120.087 120.400 -0.052 0.000 2.103 1661 K HA -0.104 4.214 4.320 -0.003 0.000 0.204 1661 K C 1.976 178.624 176.600 0.079 0.000 1.052 1661 K CA 1.064 57.363 56.287 0.020 0.000 0.945 1661 K CB -0.186 32.335 32.500 0.035 0.000 0.722 1661 K HN 0.137 nan 8.250 nan 0.000 0.443 1662 Y N 1.028 121.339 120.300 0.019 0.000 2.263 1662 Y HA -0.059 4.489 4.550 -0.003 0.000 0.292 1662 Y C 1.508 177.428 175.900 0.034 0.000 1.130 1662 Y CA 1.211 59.337 58.100 0.043 0.000 1.179 1662 Y CB 0.137 38.640 38.460 0.072 0.000 0.998 1662 Y HN -0.098 nan 8.280 nan 0.000 0.532 1663 L N -0.361 120.897 121.223 0.059 0.000 2.307 1663 L HA 0.253 4.591 4.340 -0.003 0.000 0.211 1663 L C 1.014 177.872 176.870 -0.021 0.000 1.099 1663 L CA 0.433 55.246 54.840 -0.045 0.000 0.816 1663 L CB -0.715 41.448 42.059 0.174 0.000 0.952 1663 L HN 0.373 nan 8.230 nan 0.000 0.455 1664 G N -0.063 108.748 108.800 0.019 0.000 2.705 1664 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.686 1664 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.686 1664 G C -2.217 172.730 174.900 0.079 0.000 1.285 1664 G CA -0.404 44.714 45.100 0.029 0.000 0.800 1664 G HN -0.049 nan 8.290 nan 0.000 0.611 1665 P HA -0.184 nan 4.420 nan 0.000 0.216 1665 P C 1.659 179.000 177.300 0.069 0.000 1.153 1665 P CA 1.805 64.937 63.100 0.053 0.000 0.848 1665 P CB 0.050 31.767 31.700 0.029 0.000 0.787 1666 Q N -0.789 119.048 119.800 0.063 0.000 2.014 1666 Q HA -0.247 4.091 4.340 -0.003 0.000 0.207 1666 Q C 2.377 178.418 176.000 0.068 0.000 0.993 1666 Q CA 1.726 57.562 55.803 0.055 0.000 0.850 1666 Q CB -0.803 27.965 28.738 0.051 0.000 0.916 1666 Q HN 0.129 nan 8.270 nan 0.000 0.417 1667 Y N 0.038 120.338 120.300 -0.001 0.000 2.165 1667 Y HA -0.227 4.322 4.550 -0.003 0.000 0.286 1667 Y C 2.071 177.973 175.900 0.004 0.000 1.155 1667 Y CA 1.664 59.763 58.100 -0.001 0.000 1.164 1667 Y CB -0.146 38.318 38.460 0.007 0.000 0.978 1667 Y HN 0.005 nan 8.280 nan 0.000 0.513 1668 V N -0.059 119.963 119.914 0.180 0.000 2.427 1668 V HA -0.285 3.833 4.120 -0.003 0.000 0.248 1668 V C 2.589 178.706 176.094 0.039 0.000 1.051 1668 V CA 1.506 63.905 62.300 0.165 0.000 1.048 1668 V CB -1.324 30.653 31.823 0.257 0.000 0.666 1668 V HN 0.563 nan 8.190 nan 0.000 0.456 1669 A N 0.502 123.341 122.820 0.031 0.000 1.892 1669 A HA -0.183 4.136 4.320 -0.003 0.000 0.218 1669 A C 2.398 179.956 177.584 -0.044 0.000 1.188 1669 A CA 2.271 54.315 52.037 0.011 0.000 0.631 1669 A CB -1.256 17.753 19.000 0.016 0.000 0.822 1669 A HN 0.533 nan 8.150 nan 0.000 0.447 1670 G N -0.398 108.330 108.800 -0.119 0.000 2.394 1670 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.214 1670 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.214 1670 G C 1.348 176.111 174.900 -0.229 0.000 1.176 1670 G CA 1.026 46.028 45.100 -0.164 0.000 0.786 1670 G HN 0.340 nan 8.290 nan 0.000 0.533 1671 I N 1.551 121.882 120.570 -0.399 0.000 2.226 1671 I HA -0.099 4.069 4.170 -0.003 0.000 0.245 1671 I C 2.911 178.844 176.117 -0.306 0.000 1.100 1671 I CA 1.168 62.203 61.300 -0.442 0.000 1.374 1671 I CB -1.516 36.046 38.000 -0.730 0.000 1.057 1671 I HN 0.075 nan 8.210 nan 0.000 0.413 1672 T N 1.300 115.715 114.554 -0.232 0.000 2.635 1672 T HA -0.223 4.125 4.350 -0.003 0.000 0.267 1672 T C 1.769 176.477 174.700 0.013 0.000 1.040 1672 T CA 1.957 64.038 62.100 -0.031 0.000 1.156 1672 T CB -0.403 68.508 68.868 0.073 0.000 0.863 1672 T HN 0.440 nan 8.240 nan 0.000 0.430 1673 N N 0.508 119.220 118.700 0.020 0.000 2.084 1673 N HA -0.079 4.659 4.740 -0.003 0.000 0.190 1673 N C 1.804 177.353 175.510 0.064 0.000 1.030 1673 N CA 0.757 53.860 53.050 0.089 0.000 0.849 1673 N CB -0.259 38.313 38.487 0.142 0.000 1.012 1673 N HN 0.107 nan 8.380 nan 0.000 0.423 1674 L N 2.412 123.632 121.223 -0.006 0.000 1.997 1674 L HA -0.212 4.127 4.340 -0.003 0.000 0.216 1674 L C 1.982 178.836 176.870 -0.028 0.000 1.074 1674 L CA 1.792 56.591 54.840 -0.067 0.000 0.763 1674 L CB -0.505 41.507 42.059 -0.079 0.000 0.890 1674 L HN 0.037 nan 8.230 nan 0.000 0.434 1675 K N -0.369 120.029 120.400 -0.004 0.000 2.280 1675 K HA -0.157 4.161 4.320 -0.003 0.000 0.202 1675 K C 2.007 178.624 176.600 0.030 0.000 1.047 1675 K CA 0.828 57.139 56.287 0.040 0.000 0.942 1675 K CB -0.250 32.297 32.500 0.079 0.000 0.739 1675 K HN 0.435 nan 8.250 nan 0.000 0.457 1676 K N 0.266 120.678 120.400 0.020 0.000 2.063 1676 K HA -0.142 4.177 4.320 -0.003 0.000 0.208 1676 K C 2.234 178.813 176.600 -0.034 0.000 1.048 1676 K CA 1.542 57.841 56.287 0.021 0.000 0.928 1676 K CB -0.227 32.310 32.500 0.061 0.000 0.713 1676 K HN 0.097 nan 8.250 nan 0.000 0.442 1677 c N 0.369 118.894 118.600 -0.124 0.000 2.422 1677 c HA -0.035 4.533 4.570 -0.003 0.000 0.279 1677 c C 1.328 175.317 174.090 -0.168 0.000 1.305 1677 c CA 0.661 56.838 56.329 -0.254 0.000 1.757 1677 c CB -0.735 41.411 42.510 -0.607 0.000 1.962 1677 c HN 0.577 nan 8.230 nan 0.000 0.499 1678 S N -2.259 113.402 115.700 -0.064 0.000 2.622 1678 S HA 0.454 4.922 4.470 -0.003 0.000 0.275 1678 S C -0.979 173.643 174.600 0.037 0.000 1.112 1678 S CA 0.099 58.289 58.200 -0.015 0.000 0.837 1678 S CB 1.202 64.392 63.200 -0.015 0.000 1.082 1678 S HN 0.341 nan 8.310 nan 0.000 0.456 1679 T N 0.373 114.947 114.554 0.034 0.000 2.865 1679 T HA 0.817 5.165 4.350 -0.003 0.000 0.294 1679 T C -0.340 174.381 174.700 0.035 0.000 1.119 1679 T CA 0.163 62.294 62.100 0.052 0.000 1.007 1679 T CB 1.456 70.359 68.868 0.058 0.000 1.225 1679 T HN 1.880 nan 8.240 nan 0.000 0.515 1680 S N 1.809 117.535 115.700 0.043 0.000 2.651 1680 S HA 0.559 5.027 4.470 -0.003 0.000 0.291 1680 S C -1.981 172.628 174.600 0.015 0.000 1.141 1680 S CA -1.240 56.975 58.200 0.025 0.000 1.027 1680 S CB 1.184 64.409 63.200 0.041 0.000 1.043 1680 S HN 0.550 nan 8.310 nan 0.000 0.530 1681 P HA -0.119 nan 4.420 nan 0.000 0.215 1681 P C 1.569 178.862 177.300 -0.011 0.000 1.157 1681 P CA 0.668 63.756 63.100 -0.019 0.000 0.874 1681 P CB -0.002 31.679 31.700 -0.032 0.000 0.790 1682 L N -1.305 119.917 121.223 -0.003 0.000 2.056 1682 L HA -0.088 4.251 4.340 -0.003 0.000 0.207 1682 L C 2.145 179.025 176.870 0.017 0.000 1.078 1682 L CA 1.541 56.382 54.840 0.001 0.000 0.749 1682 L CB -1.416 40.640 42.059 -0.005 0.000 0.901 1682 L HN -0.142 nan 8.230 nan 0.000 0.433 1683 L N -0.098 121.145 121.223 0.034 0.000 2.046 1683 L HA -0.226 4.112 4.340 -0.003 0.000 0.208 1683 L C 2.500 179.399 176.870 0.048 0.000 1.077 1683 L CA 2.170 57.037 54.840 0.046 0.000 0.747 1683 L CB -0.859 41.253 42.059 0.087 0.000 0.896 1683 L HN 0.580 nan 8.230 nan 0.000 0.432 1684 E N -0.740 119.485 120.200 0.041 0.000 2.072 1684 E HA -0.208 4.141 4.350 -0.003 0.000 0.191 1684 E C 2.087 178.728 176.600 0.068 0.000 0.985 1684 E CA 1.038 57.466 56.400 0.046 0.000 0.801 1684 E CB -0.150 29.557 29.700 0.011 0.000 0.750 1684 E HN 0.549 nan 8.360 nan 0.000 0.452 1685 A N 0.748 123.593 122.820 0.041 0.000 1.892 1685 A HA -0.235 4.084 4.320 -0.003 0.000 0.218 1685 A C 2.472 180.143 177.584 0.145 0.000 1.188 1685 A CA 1.696 53.776 52.037 0.071 0.000 0.631 1685 A CB -1.029 17.987 19.000 0.026 0.000 0.822 1685 A HN 0.554 nan 8.150 nan 0.000 0.447 1686 c N -1.424 117.226 118.600 0.082 0.000 2.446 1686 c HA 0.048 4.616 4.570 -0.003 0.000 0.279 1686 c C 2.585 176.721 174.090 0.077 0.000 1.366 1686 c CA 0.956 57.322 56.329 0.062 0.000 1.763 1686 c CB -1.140 41.370 42.510 0.002 0.000 1.929 1686 c HN 0.721 nan 8.230 nan 0.000 0.509 1687 E N 0.098 120.355 120.200 0.094 0.000 2.152 1687 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 1687 E C 1.711 178.396 176.600 0.142 0.000 0.983 1687 E CA 0.850 57.309 56.400 0.098 0.000 0.818 1687 E CB -0.185 29.571 29.700 0.093 0.000 0.758 1687 E HN 0.679 nan 8.360 nan 0.000 0.467 1688 F N 0.814 120.785 119.950 0.034 0.000 2.095 1688 F HA -0.166 4.358 4.527 -0.005 0.000 0.298 1688 F C 1.571 177.413 175.800 0.071 0.000 1.104 1688 F CA 1.362 59.390 58.000 0.046 0.000 1.232 1688 F CB -0.073 38.949 39.000 0.036 0.000 0.987 1688 F HN -0.041 nan 8.300 nan 0.000 0.475 1689 L N -0.171 121.096 121.223 0.073 0.000 2.465 1689 L HA -0.055 4.284 4.340 -0.003 0.000 0.224 1689 L C 2.075 178.912 176.870 -0.054 0.000 1.145 1689 L CA 0.780 55.581 54.840 -0.066 0.000 0.834 1689 L CB -0.435 41.632 42.059 0.014 0.000 0.944 1689 L HN 0.092 nan 8.230 nan 0.000 0.451 1690 R N -0.863 119.656 120.500 0.032 0.000 2.404 1690 R HA 0.084 4.423 4.340 -0.003 0.000 0.237 1690 R C 0.807 177.194 176.300 0.146 0.000 0.907 1690 R CA -0.328 55.832 56.100 0.099 0.000 1.063 1690 R CB 0.470 30.816 30.300 0.077 0.000 1.134 1690 R HN -0.005 nan 8.270 nan 0.000 0.529 1691 K N 0.000 120.438 120.400 0.062 0.000 2.780 1691 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 1691 K CA 0.000 56.287 56.287 0.000 0.000 0.838 1691 K CB 0.000 32.451 32.500 -0.081 0.000 1.064 1691 K HN 0.000 nan 8.250 nan 0.000 0.543