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 1ihm_1_A DATA FIRST_RESID 1029 DATA SEQUENCE DPLAMDPVAG SSTAVATAGQ VNPIDPWIIN NFVQAPQGEF TISPNNTPGD DATA SEQUENCE VLFDLSLGPH LNPFLLHLSQ MYNGWVGNMR VRIMLAGNAF TAGKIIVSCI DATA SEQUENCE PPGFGSHNLT IAQATLFPHV IADVRTLDPI EVPLEDVRNV LFHNNDRNQQ DATA SEQUENCE TMRLVCMLYT PLRTGGGTGD SFVVAGRVMT CPSPDFNFLF LVPPTVEQKT DATA SEQUENCE RPFTLPNLPL SSLSNSRAPL PISSMGISPD NVQSVQFQNG RCTLDGRLVG DATA SEQUENCE TTPVSLSHVA KIRGTSNGTV INLTELDGTP FHPFEGPAPI GFPDLGGCDW DATA SEQUENCE HINMTQFGHS SQTQYDVDTT PDTFVPHLGS IQANGIGSGN YVGVLSWISP DATA SEQUENCE PSHPSGSQVD LWKIPNYGSS ITEATHLAPS VYPPGFGEVL VFFMSKMPGP DATA SEQUENCE GAYNLPCLLP QEYISHLASE QAPTVGEAAL LHYVDPDTGR NLGEFKAYPD DATA SEQUENCE GFLTCVPNGA SSGPQQLPIN GVFVFVSWVS RFYQLKPVGT AS 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 1029 D HA 0.000 nan 4.640 nan 0.000 0.175 1029 D C 0.000 176.276 176.300 -0.041 0.000 2.045 1029 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 1029 D CB 0.000 40.777 40.800 -0.038 0.000 0.688 1030 P HA 0.324 nan 4.420 nan 0.000 0.274 1030 P C -0.292 176.980 177.300 -0.047 0.000 1.231 1030 P CA -0.463 62.621 63.100 -0.026 0.000 0.790 1030 P CB 0.718 32.411 31.700 -0.012 0.000 0.951 1031 L N 0.888 122.090 121.223 -0.036 0.000 2.461 1031 L HA 0.146 4.486 4.340 0.000 0.000 0.272 1031 L C 1.059 177.910 176.870 -0.030 0.000 1.197 1031 L CA -0.496 54.318 54.840 -0.044 0.000 0.836 1031 L CB 0.524 42.574 42.059 -0.015 0.000 1.105 1031 L HN 0.559 nan 8.230 nan 0.000 0.477 1032 A N 6.304 129.103 122.820 -0.035 0.000 3.063 1032 A HA 0.488 4.808 4.320 0.000 0.000 0.263 1032 A C -0.000 177.587 177.584 0.006 0.000 1.736 1032 A CA 0.038 52.066 52.037 -0.014 0.000 1.408 1032 A CB -0.548 18.444 19.000 -0.013 0.000 1.108 1032 A HN 0.704 nan 8.150 nan 0.000 0.621 1033 M N 0.192 119.797 119.600 0.009 0.000 2.520 1033 M HA 0.291 4.771 4.480 0.000 0.000 0.280 1033 M C -1.653 174.658 176.300 0.017 0.000 1.232 1033 M CA -0.803 54.509 55.300 0.019 0.000 0.892 1033 M CB 2.235 34.852 32.600 0.028 0.000 1.728 1033 M HN 0.216 nan 8.290 nan 0.000 0.475 1034 D N 3.170 123.582 120.400 0.019 0.000 2.225 1034 D HA 0.448 5.088 4.640 0.000 0.000 0.249 1034 D C -2.181 174.132 176.300 0.022 0.000 1.052 1034 D CA -0.874 53.136 54.000 0.017 0.000 0.909 1034 D CB 1.251 42.060 40.800 0.015 0.000 1.186 1034 D HN 0.258 nan 8.370 nan 0.000 0.431 1035 P HA 0.008 nan 4.420 nan 0.000 0.265 1035 P C -0.474 176.839 177.300 0.023 0.000 1.193 1035 P CA -0.160 62.954 63.100 0.023 0.000 0.765 1035 P CB 0.636 32.347 31.700 0.018 0.000 0.823 1036 V N 3.103 123.035 119.914 0.031 0.000 2.481 1036 V HA 0.422 4.542 4.120 0.000 0.000 0.286 1036 V C 0.961 177.067 176.094 0.021 0.000 1.042 1036 V CA -0.744 61.573 62.300 0.028 0.000 0.928 1036 V CB 1.139 32.988 31.823 0.043 0.000 0.986 1036 V HN 0.782 nan 8.190 nan 0.000 0.462 1037 A N 3.703 126.528 122.820 0.007 0.000 2.406 1037 A HA 0.657 4.977 4.320 0.000 0.000 0.243 1037 A C 0.933 178.510 177.584 -0.012 0.000 1.082 1037 A CA 0.578 52.613 52.037 -0.004 0.000 0.786 1037 A CB 0.226 19.219 19.000 -0.012 0.000 1.029 1037 A HN 1.062 nan 8.150 nan 0.000 0.495 1038 G N -0.459 108.327 108.800 -0.023 0.000 3.227 1038 G HA2 0.340 4.300 3.960 0.000 0.000 0.171 1038 G HA3 0.340 4.300 3.960 0.000 0.000 0.171 1038 G C 1.403 176.260 174.900 -0.072 0.000 1.463 1038 G CA 0.630 45.703 45.100 -0.046 0.000 1.016 1038 G HN 1.270 nan 8.290 nan 0.000 0.594 1039 S N 0.642 116.289 115.700 -0.088 0.000 2.407 1039 S HA -0.250 4.220 4.470 0.000 0.000 0.235 1039 S C 2.387 176.942 174.600 -0.075 0.000 1.036 1039 S CA 2.241 60.380 58.200 -0.101 0.000 1.013 1039 S CB -0.974 62.165 63.200 -0.101 0.000 0.820 1039 S HN 0.964 nan 8.310 nan 0.000 0.476 1040 S N 1.845 117.513 115.700 -0.053 0.000 2.444 1040 S HA -0.221 4.249 4.470 0.000 0.000 0.244 1040 S C 1.696 176.276 174.600 -0.032 0.000 1.025 1040 S CA 1.728 59.905 58.200 -0.039 0.000 0.995 1040 S CB -1.530 61.653 63.200 -0.029 0.000 0.781 1040 S HN 0.726 nan 8.310 nan 0.000 0.496 1041 T N 2.230 116.764 114.554 -0.033 0.000 2.814 1041 T HA 0.305 4.656 4.350 0.000 0.000 0.254 1041 T C 1.831 176.538 174.700 0.012 0.000 1.037 1041 T CA 0.872 62.963 62.100 -0.015 0.000 1.143 1041 T CB -0.605 68.250 68.868 -0.022 0.000 0.866 1041 T HN 0.590 nan 8.240 nan 0.000 0.431 1042 A N 1.347 124.171 122.820 0.006 0.000 2.310 1042 A HA 0.396 4.716 4.320 0.000 0.000 0.230 1042 A C 2.045 179.578 177.584 -0.085 0.000 1.294 1042 A CA -0.084 51.960 52.037 0.011 0.000 0.898 1042 A CB -0.853 18.068 19.000 -0.130 0.000 0.917 1042 A HN 0.325 nan 8.150 nan 0.000 0.491 1043 V N -0.482 119.400 119.914 -0.053 0.000 2.323 1043 V HA -0.162 3.958 4.120 0.000 0.000 0.244 1043 V C 2.610 178.680 176.094 -0.040 0.000 1.041 1043 V CA 1.962 64.226 62.300 -0.061 0.000 1.025 1043 V CB -0.803 30.992 31.823 -0.046 0.000 0.656 1043 V HN 0.575 nan 8.190 nan 0.000 0.451 1044 A N -0.020 122.793 122.820 -0.011 0.000 2.302 1044 A HA 0.142 4.462 4.320 0.000 0.000 0.219 1044 A C 1.764 179.364 177.584 0.028 0.000 1.243 1044 A CA 1.163 53.202 52.037 0.003 0.000 0.856 1044 A CB -0.567 18.437 19.000 0.006 0.000 0.893 1044 A HN 0.618 nan 8.150 nan 0.000 0.491 1045 T N -3.470 111.111 114.554 0.045 0.000 3.010 1045 T HA 0.517 4.867 4.350 0.000 0.000 0.253 1045 T C 0.869 175.639 174.700 0.116 0.000 0.939 1045 T CA 0.471 62.639 62.100 0.114 0.000 0.910 1045 T CB -0.165 68.829 68.868 0.209 0.000 1.226 1045 T HN 0.501 nan 8.240 nan 0.000 0.508 1046 A N 1.112 123.905 122.820 -0.047 0.000 2.322 1046 A HA 0.732 5.052 4.320 0.000 0.000 0.269 1046 A C 1.680 179.237 177.584 -0.046 0.000 1.094 1046 A CA -0.001 51.934 52.037 -0.170 0.000 0.807 1046 A CB 0.296 18.971 19.000 -0.541 0.000 1.047 1046 A HN 0.311 nan 8.150 nan 0.000 0.487 1047 G N -0.261 108.575 108.800 0.061 0.000 2.421 1047 G HA2 0.219 4.179 3.960 0.000 0.000 0.217 1047 G HA3 0.219 4.179 3.960 0.000 0.000 0.217 1047 G C 0.542 175.295 174.900 -0.245 0.000 1.143 1047 G CA 0.807 45.890 45.100 -0.029 0.000 0.784 1047 G HN 0.753 nan 8.290 nan 0.000 0.541 1048 Q N -1.578 118.039 119.800 -0.305 0.000 2.462 1048 Q HA 0.578 4.918 4.340 0.000 0.000 0.285 1048 Q C -1.865 174.024 176.000 -0.185 0.000 1.035 1048 Q CA -0.784 54.859 55.803 -0.267 0.000 0.799 1048 Q CB 3.206 31.724 28.738 -0.366 0.000 1.452 1048 Q HN -0.050 nan 8.270 nan 0.000 0.404 1049 V N 2.358 122.191 119.914 -0.135 0.000 2.409 1049 V HA 0.396 4.516 4.120 0.000 0.000 0.290 1049 V C -1.226 174.824 176.094 -0.073 0.000 1.017 1049 V CA -0.894 61.334 62.300 -0.119 0.000 0.841 1049 V CB 1.459 33.215 31.823 -0.112 0.000 1.003 1049 V HN 0.638 nan 8.190 nan 0.000 0.426 1050 N N 6.642 125.305 118.700 -0.060 0.000 2.446 1050 N HA 0.503 5.243 4.740 0.000 0.000 0.265 1050 N C -2.675 172.818 175.510 -0.029 0.000 0.975 1050 N CA -1.599 51.438 53.050 -0.022 0.000 0.928 1050 N CB 2.312 40.818 38.487 0.032 0.000 1.160 1050 N HN 0.357 nan 8.380 nan 0.000 0.495 1051 P HA 0.307 nan 4.420 nan 0.000 0.276 1051 P C -0.237 177.114 177.300 0.085 0.000 1.252 1051 P CA -0.471 62.648 63.100 0.032 0.000 0.802 1051 P CB 1.255 32.966 31.700 0.020 0.000 1.035 1052 I N -2.780 117.850 120.570 0.099 0.000 3.023 1052 I HA 0.522 4.692 4.170 0.000 0.000 0.312 1052 I C -0.143 176.018 176.117 0.073 0.000 1.056 1052 I CA -1.236 60.146 61.300 0.136 0.000 1.033 1052 I CB 1.483 39.594 38.000 0.186 0.000 1.233 1052 I HN 0.051 nan 8.210 nan 0.000 0.462 1053 D N 4.769 125.214 120.400 0.075 0.000 2.412 1053 D HA 0.123 4.763 4.640 0.000 0.000 0.257 1053 D C -1.463 174.830 176.300 -0.012 0.000 1.217 1053 D CA -2.151 51.878 54.000 0.049 0.000 0.897 1053 D CB 1.030 41.873 40.800 0.072 0.000 1.132 1053 D HN 0.357 nan 8.370 nan 0.000 0.493 1054 P HA -0.132 nan 4.420 nan 0.000 0.226 1054 P C 0.950 178.056 177.300 -0.323 0.000 1.146 1054 P CA 0.922 63.877 63.100 -0.242 0.000 0.773 1054 P CB -0.045 31.445 31.700 -0.349 0.000 0.772 1055 W N -0.251 121.001 121.300 -0.079 0.000 2.584 1055 W HA 0.125 4.785 4.660 0.000 0.000 0.264 1055 W C 2.302 178.744 176.519 -0.130 0.000 1.264 1055 W CA -0.054 57.232 57.345 -0.098 0.000 1.306 1055 W CB -0.462 28.931 29.460 -0.112 0.000 1.110 1055 W HN -0.145 nan 8.180 nan 0.000 0.606 1056 I N -0.450 120.136 120.570 0.026 0.000 2.584 1056 I HA -0.222 3.948 4.170 0.000 0.000 0.255 1056 I C 2.099 178.183 176.117 -0.054 0.000 1.145 1056 I CA 0.383 61.660 61.300 -0.039 0.000 1.462 1056 I CB -0.487 37.472 38.000 -0.068 0.000 1.102 1056 I HN -0.137 nan 8.210 nan 0.000 0.433 1057 I N 1.495 122.016 120.570 -0.083 0.000 2.367 1057 I HA -0.325 3.845 4.170 0.000 0.000 0.256 1057 I C 1.159 177.179 176.117 -0.163 0.000 1.132 1057 I CA 1.882 63.110 61.300 -0.119 0.000 1.397 1057 I CB -0.925 37.002 38.000 -0.121 0.000 1.074 1057 I HN 0.393 nan 8.210 nan 0.000 0.435 1058 N N -0.146 118.461 118.700 -0.154 0.000 2.217 1058 N HA 0.036 4.776 4.740 0.000 0.000 0.239 1058 N C -0.212 175.174 175.510 -0.207 0.000 1.330 1058 N CA -0.104 52.813 53.050 -0.221 0.000 0.838 1058 N CB 0.142 38.546 38.487 -0.138 0.000 1.287 1058 N HN 0.060 nan 8.380 nan 0.000 0.498 1059 N N 0.554 119.192 118.700 -0.103 0.000 2.414 1059 N HA 0.189 4.929 4.740 0.000 0.000 0.256 1059 N C -1.130 174.360 175.510 -0.033 0.000 1.029 1059 N CA -0.137 52.927 53.050 0.024 0.000 0.948 1059 N CB 0.097 38.675 38.487 0.150 0.000 1.102 1059 N HN -0.015 nan 8.380 nan 0.000 0.496 1060 F N 3.140 123.138 119.950 0.080 0.000 2.438 1060 F HA 0.207 4.734 4.527 0.000 0.000 0.360 1060 F C 0.422 176.249 175.800 0.044 0.000 1.118 1060 F CA -0.308 57.722 58.000 0.051 0.000 1.164 1060 F CB 0.579 39.600 39.000 0.036 0.000 1.131 1060 F HN 0.089 nan 8.300 nan 0.000 0.527 1061 V N 3.453 123.488 119.914 0.201 0.000 2.919 1061 V HA 0.264 4.384 4.120 0.000 0.000 0.316 1061 V C -0.147 175.979 176.094 0.054 0.000 1.077 1061 V CA -1.220 61.131 62.300 0.086 0.000 0.977 1061 V CB 1.822 33.633 31.823 -0.019 0.000 1.039 1061 V HN 0.560 nan 8.190 nan 0.000 0.441 1062 Q N 1.798 121.597 119.800 -0.003 0.000 2.286 1062 Q HA 0.447 4.787 4.340 0.000 0.000 0.267 1062 Q C 0.163 176.142 176.000 -0.034 0.000 1.028 1062 Q CA -0.287 55.506 55.803 -0.018 0.000 0.901 1062 Q CB 0.941 29.654 28.738 -0.041 0.000 1.183 1062 Q HN 0.957 nan 8.270 nan 0.000 0.392 1063 A N 6.454 129.265 122.820 -0.015 0.000 2.466 1063 A HA 0.175 4.495 4.320 0.000 0.000 0.238 1063 A C -1.503 176.089 177.584 0.013 0.000 1.074 1063 A CA -1.054 50.980 52.037 -0.006 0.000 0.774 1063 A CB -0.086 18.907 19.000 -0.011 0.000 1.015 1063 A HN 0.795 nan 8.150 nan 0.000 0.498 1064 P HA -0.169 nan 4.420 nan 0.000 0.218 1064 P C 0.304 177.712 177.300 0.180 0.000 1.148 1064 P CA 1.313 64.502 63.100 0.148 0.000 0.822 1064 P CB 0.100 31.993 31.700 0.323 0.000 0.784 1065 Q N 0.101 120.017 119.800 0.192 0.000 3.041 1065 Q HA 0.319 4.659 4.340 0.000 0.000 0.372 1065 Q C 1.205 177.223 176.000 0.030 0.000 1.241 1065 Q CA -0.269 55.632 55.803 0.164 0.000 1.010 1065 Q CB -0.209 28.617 28.738 0.147 0.000 1.467 1065 Q HN 0.161 nan 8.270 nan 0.000 0.462 1066 G N 0.468 109.269 108.800 0.003 0.000 3.233 1066 G HA2 0.037 3.997 3.960 0.000 0.000 0.227 1066 G HA3 0.037 3.997 3.960 0.000 0.000 0.227 1066 G C 0.104 175.014 174.900 0.016 0.000 1.175 1066 G CA 0.029 45.117 45.100 -0.019 0.000 0.781 1066 G HN 0.261 nan 8.290 nan 0.000 0.542 1067 E N -0.724 119.523 120.200 0.078 0.000 2.340 1067 E HA 0.619 4.969 4.350 0.000 0.000 0.273 1067 E C -1.272 175.607 176.600 0.465 0.000 0.891 1067 E CA -0.916 55.583 56.400 0.163 0.000 0.757 1067 E CB 2.451 32.208 29.700 0.094 0.000 1.231 1067 E HN 0.188 nan 8.360 nan 0.000 0.439 1068 F N -1.573 118.595 119.950 0.363 0.000 2.779 1068 F HA 0.728 5.255 4.527 0.000 0.000 0.316 1068 F C -1.277 174.531 175.800 0.013 0.000 1.164 1068 F CA -0.847 57.352 58.000 0.332 0.000 0.924 1068 F CB 1.402 40.611 39.000 0.349 0.000 1.348 1068 F HN 0.319 nan 8.300 nan 0.000 0.467 1069 T N -0.286 114.319 114.554 0.086 0.000 2.923 1069 T HA 0.798 5.148 4.350 0.000 0.000 0.311 1069 T C -1.248 173.523 174.700 0.118 0.000 1.183 1069 T CA -0.659 61.360 62.100 -0.136 0.000 1.020 1069 T CB 1.788 70.367 68.868 -0.481 0.000 1.165 1069 T HN 0.822 nan 8.240 nan 0.000 0.482 1070 I N 2.358 122.974 120.570 0.076 0.000 2.465 1070 I HA 0.693 4.863 4.170 0.000 0.000 0.291 1070 I C 0.039 176.174 176.117 0.030 0.000 1.014 1070 I CA -0.794 60.574 61.300 0.114 0.000 1.093 1070 I CB 2.188 40.284 38.000 0.161 0.000 1.267 1070 I HN 0.994 nan 8.210 nan 0.000 0.431 1071 S N 4.835 120.542 115.700 0.011 0.000 2.607 1071 S HA 0.544 5.014 4.470 0.000 0.000 0.273 1071 S C -2.414 172.151 174.600 -0.058 0.000 1.148 1071 S CA -1.245 56.932 58.200 -0.038 0.000 0.833 1071 S CB 2.144 65.265 63.200 -0.132 0.000 1.130 1071 S HN 0.445 nan 8.310 nan 0.000 0.470 1072 P HA -0.044 nan 4.420 nan 0.000 0.231 1072 P C 0.406 177.627 177.300 -0.132 0.000 1.158 1072 P CA 0.779 63.844 63.100 -0.058 0.000 0.763 1072 P CB -0.178 31.503 31.700 -0.031 0.000 0.805 1073 N N -0.338 118.196 118.700 -0.276 0.000 2.409 1073 N HA -0.009 4.731 4.740 0.000 0.000 0.179 1073 N C 0.772 176.125 175.510 -0.263 0.000 1.032 1073 N CA 0.475 53.251 53.050 -0.457 0.000 0.898 1073 N CB -0.286 37.478 38.487 -1.205 0.000 0.971 1073 N HN 0.307 nan 8.380 nan 0.000 0.441 1074 N N 1.016 119.639 118.700 -0.128 0.000 2.513 1074 N HA 0.087 4.827 4.740 0.000 0.000 0.274 1074 N C 0.172 175.681 175.510 -0.001 0.000 1.189 1074 N CA 0.420 53.482 53.050 0.020 0.000 0.975 1074 N CB 1.201 39.730 38.487 0.070 0.000 1.157 1074 N HN 0.119 nan 8.380 nan 0.000 0.465 1075 T N -1.969 112.588 114.554 0.005 0.000 2.863 1075 T HA 0.412 4.762 4.350 0.000 0.000 0.285 1075 T C -2.855 171.851 174.700 0.009 0.000 1.009 1075 T CA -2.107 59.992 62.100 -0.002 0.000 0.989 1075 T CB 1.981 70.843 68.868 -0.010 0.000 1.004 1075 T HN 0.235 nan 8.240 nan 0.000 0.455 1076 P HA 0.242 nan 4.420 nan 0.000 0.261 1076 P C 0.986 178.304 177.300 0.029 0.000 1.183 1076 P CA 0.958 64.069 63.100 0.020 0.000 0.761 1076 P CB 0.369 32.065 31.700 -0.007 0.000 0.785 1077 G N 2.624 111.451 108.800 0.045 0.000 2.316 1077 G HA2 -0.158 3.802 3.960 0.000 0.000 0.203 1077 G HA3 -0.158 3.802 3.960 0.000 0.000 0.203 1077 G C -0.147 174.774 174.900 0.036 0.000 0.999 1077 G CA -0.412 44.716 45.100 0.046 0.000 0.649 1077 G HN 0.493 nan 8.290 nan 0.000 0.489 1078 D N 0.981 121.398 120.400 0.028 0.000 2.455 1078 D HA 0.389 5.029 4.640 0.000 0.000 0.241 1078 D C 0.658 176.982 176.300 0.039 0.000 1.138 1078 D CA 0.226 54.247 54.000 0.034 0.000 0.877 1078 D CB 1.660 42.477 40.800 0.028 0.000 1.187 1078 D HN 0.168 nan 8.370 nan 0.000 0.451 1079 V N 4.862 124.818 119.914 0.069 0.000 2.372 1079 V HA 0.032 4.152 4.120 0.000 0.000 0.261 1079 V C 1.597 177.715 176.094 0.041 0.000 1.055 1079 V CA -0.190 62.118 62.300 0.014 0.000 0.930 1079 V CB 0.624 32.468 31.823 0.035 0.000 1.031 1079 V HN 0.466 nan 8.190 nan 0.000 0.479 1080 L N 5.388 126.559 121.223 -0.087 0.000 2.156 1080 L HA 0.110 4.450 4.340 0.000 0.000 0.208 1080 L C 0.551 177.462 176.870 0.068 0.000 1.095 1080 L CA 1.283 56.103 54.840 -0.033 0.000 0.770 1080 L CB -0.267 41.650 42.059 -0.236 0.000 0.914 1080 L HN 0.734 nan 8.230 nan 0.000 0.439 1081 F N -3.172 116.725 119.950 -0.088 0.000 2.725 1081 F HA 0.544 5.071 4.527 0.000 0.000 0.309 1081 F C -1.739 174.035 175.800 -0.042 0.000 1.132 1081 F CA -1.818 56.154 58.000 -0.047 0.000 0.957 1081 F CB 0.951 39.908 39.000 -0.071 0.000 1.286 1081 F HN -0.301 nan 8.300 nan 0.000 0.440 1082 D N 3.443 124.030 120.400 0.312 0.000 2.542 1082 D HA 0.493 5.133 4.640 0.000 0.000 0.252 1082 D C -1.492 174.938 176.300 0.216 0.000 1.222 1082 D CA -0.012 54.100 54.000 0.187 0.000 0.895 1082 D CB 1.659 42.506 40.800 0.077 0.000 1.207 1082 D HN 0.729 nan 8.370 nan 0.000 0.558 1083 L N 1.772 123.143 121.223 0.248 0.000 2.334 1083 L HA 0.572 4.912 4.340 0.000 0.000 0.272 1083 L C 0.205 177.157 176.870 0.136 0.000 1.020 1083 L CA -0.840 54.105 54.840 0.175 0.000 0.812 1083 L CB 1.957 44.107 42.059 0.153 0.000 1.264 1083 L HN 0.355 nan 8.230 nan 0.000 0.439 1084 S N 1.844 117.640 115.700 0.161 0.000 2.594 1084 S HA 0.483 4.953 4.470 0.000 0.000 0.296 1084 S C -0.731 173.942 174.600 0.121 0.000 1.124 1084 S CA -0.798 57.492 58.200 0.149 0.000 1.011 1084 S CB 1.893 65.185 63.200 0.154 0.000 1.016 1084 S HN 0.450 nan 8.310 nan 0.000 0.485 1085 L N 2.883 124.146 121.223 0.067 0.000 2.559 1085 L HA 0.491 4.831 4.340 0.000 0.000 0.282 1085 L C 0.495 177.261 176.870 -0.173 0.000 1.232 1085 L CA 2.105 56.936 54.840 -0.016 0.000 0.885 1085 L CB -0.340 41.803 42.059 0.139 0.000 1.131 1085 L HN 1.196 nan 8.230 nan 0.000 0.498 1086 G N 3.683 112.105 108.800 -0.631 0.000 2.340 1086 G HA2 0.208 4.168 3.960 0.000 0.000 0.300 1086 G HA3 0.208 4.168 3.960 0.000 0.000 0.300 1086 G C -2.696 171.597 174.900 -1.011 0.000 1.488 1086 G CA -0.093 44.333 45.100 -1.123 0.000 0.878 1086 G HN 0.403 nan 8.290 nan 0.000 0.618 1087 P HA -0.126 nan 4.420 nan 0.000 0.228 1087 P C 1.143 178.319 177.300 -0.207 0.000 1.151 1087 P CA 1.306 64.170 63.100 -0.394 0.000 0.770 1087 P CB -0.281 31.389 31.700 -0.051 0.000 0.786 1088 H N -0.890 118.107 119.070 -0.121 0.000 2.563 1088 H HA 0.132 4.688 4.556 0.000 0.000 0.272 1088 H C 1.329 176.649 175.328 -0.014 0.000 1.005 1088 H CA 0.044 56.079 56.048 -0.021 0.000 1.171 1088 H CB -0.677 29.074 29.762 -0.019 0.000 1.351 1088 H HN 0.199 nan 8.280 nan 0.000 0.602 1089 L N 0.295 121.341 121.223 -0.295 0.000 2.592 1089 L HA 0.118 4.458 4.340 0.000 0.000 0.227 1089 L C 0.550 177.369 176.870 -0.084 0.000 1.127 1089 L CA -0.010 54.737 54.840 -0.155 0.000 0.884 1089 L CB 0.058 41.966 42.059 -0.253 0.000 1.065 1089 L HN 0.211 nan 8.230 nan 0.000 0.457 1090 N N 0.077 118.728 118.700 -0.081 0.000 2.371 1090 N HA 0.191 4.931 4.740 0.000 0.000 0.291 1090 N C -2.258 173.249 175.510 -0.005 0.000 1.053 1090 N CA -1.482 51.535 53.050 -0.054 0.000 0.870 1090 N CB 2.645 41.077 38.487 -0.093 0.000 1.503 1090 N HN -0.302 nan 8.380 nan 0.000 0.485 1091 P HA -0.142 nan 4.420 nan 0.000 0.216 1091 P C 1.376 178.678 177.300 0.004 0.000 1.153 1091 P CA 1.362 64.415 63.100 -0.078 0.000 0.858 1091 P CB 0.101 31.644 31.700 -0.262 0.000 0.789 1092 F N -0.243 119.747 119.950 0.067 0.000 2.075 1092 F HA -0.132 4.395 4.527 0.000 0.000 0.297 1092 F C 2.770 178.664 175.800 0.157 0.000 1.113 1092 F CA 0.666 58.725 58.000 0.098 0.000 1.218 1092 F CB -1.021 38.017 39.000 0.064 0.000 0.984 1092 F HN -0.274 nan 8.300 nan 0.000 0.472 1093 L N -0.304 121.110 121.223 0.320 0.000 2.043 1093 L HA -0.257 4.083 4.340 0.000 0.000 0.212 1093 L C 2.464 179.542 176.870 0.348 0.000 1.075 1093 L CA 0.829 55.866 54.840 0.328 0.000 0.752 1093 L CB -0.776 41.307 42.059 0.041 0.000 0.891 1093 L HN 0.233 nan 8.230 nan 0.000 0.432 1094 L N -0.603 120.759 121.223 0.231 0.000 2.042 1094 L HA -0.295 4.045 4.340 0.000 0.000 0.210 1094 L C 2.644 179.648 176.870 0.223 0.000 1.076 1094 L CA 1.909 56.878 54.840 0.215 0.000 0.749 1094 L CB -0.917 41.256 42.059 0.189 0.000 0.893 1094 L HN 0.280 nan 8.230 nan 0.000 0.432 1095 H N -0.724 118.432 119.070 0.144 0.000 2.387 1095 H HA -0.129 4.427 4.556 0.000 0.000 0.299 1095 H C 2.140 177.512 175.328 0.073 0.000 1.090 1095 H CA 2.033 58.149 56.048 0.113 0.000 1.332 1095 H CB 0.190 30.036 29.762 0.140 0.000 1.386 1095 H HN 0.410 nan 8.280 nan 0.000 0.516 1096 L N 0.001 121.276 121.223 0.086 0.000 2.217 1096 L HA -0.112 4.228 4.340 0.000 0.000 0.211 1096 L C 2.686 179.401 176.870 -0.259 0.000 1.107 1096 L CA 0.616 55.386 54.840 -0.116 0.000 0.783 1096 L CB -0.244 41.744 42.059 -0.118 0.000 0.919 1096 L HN 0.168 nan 8.230 nan 0.000 0.442 1097 S N -0.096 115.558 115.700 -0.077 0.000 2.402 1097 S HA -0.271 4.199 4.470 0.000 0.000 0.233 1097 S C 1.760 176.379 174.600 0.031 0.000 1.030 1097 S CA 1.336 59.580 58.200 0.073 0.000 1.003 1097 S CB -0.296 63.036 63.200 0.221 0.000 0.813 1097 S HN 0.524 nan 8.310 nan 0.000 0.477 1098 Q N -0.379 119.391 119.800 -0.050 0.000 2.515 1098 Q HA 0.209 4.549 4.340 0.000 0.000 0.212 1098 Q C 1.738 177.656 176.000 -0.137 0.000 0.970 1098 Q CA 0.488 56.247 55.803 -0.074 0.000 0.941 1098 Q CB -0.100 28.570 28.738 -0.112 0.000 0.998 1098 Q HN 0.530 nan 8.270 nan 0.000 0.518 1099 M N -1.085 118.385 119.600 -0.217 0.000 2.338 1099 M HA 0.162 4.642 4.480 0.000 0.000 0.276 1099 M C -0.812 175.199 176.300 -0.483 0.000 1.057 1099 M CA 0.229 55.294 55.300 -0.391 0.000 1.079 1099 M CB 1.009 33.261 32.600 -0.580 0.000 1.547 1099 M HN -0.029 nan 8.290 nan 0.000 0.549 1100 Y N -0.377 119.867 120.300 -0.093 0.000 2.598 1100 Y HA 0.318 4.868 4.550 0.000 0.000 0.340 1100 Y C 0.749 176.739 175.900 0.151 0.000 1.038 1100 Y CA -1.029 57.099 58.100 0.048 0.000 1.100 1100 Y CB 0.608 39.094 38.460 0.044 0.000 1.281 1100 Y HN 0.057 nan 8.280 nan 0.000 0.488 1101 N N -0.115 118.819 118.700 0.390 0.000 2.205 1101 N HA 0.240 4.980 4.740 0.000 0.000 0.201 1101 N C -0.188 175.546 175.510 0.373 0.000 1.128 1101 N CA 0.405 53.639 53.050 0.306 0.000 0.867 1101 N CB 0.835 39.421 38.487 0.165 0.000 0.996 1101 N HN 0.832 nan 8.380 nan 0.000 0.503 1102 G N -0.190 108.884 108.800 0.457 0.000 2.695 1102 G HA2 0.612 4.572 3.960 0.000 0.000 0.290 1102 G HA3 0.612 4.572 3.960 0.000 0.000 0.290 1102 G C -1.899 173.298 174.900 0.495 0.000 1.410 1102 G CA -0.866 44.483 45.100 0.415 0.000 0.844 1102 G HN 0.244 nan 8.290 nan 0.000 0.478 1103 W N -1.091 120.306 121.300 0.161 0.000 3.153 1103 W HA 0.667 5.327 4.660 0.000 0.000 0.316 1103 W C -2.211 174.213 176.519 -0.159 0.000 1.255 1103 W CA -1.219 56.057 57.345 -0.115 0.000 1.192 1103 W CB 0.707 30.085 29.460 -0.137 0.000 1.400 1103 W HN 0.759 nan 8.180 nan 0.000 0.568 1104 V N 1.232 120.954 119.914 -0.322 0.000 3.000 1104 V HA 0.927 5.047 4.120 0.000 0.000 0.300 1104 V C 0.089 175.906 176.094 -0.462 0.000 1.251 1104 V CA 0.024 62.119 62.300 -0.342 0.000 0.972 1104 V CB 1.024 32.685 31.823 -0.269 0.000 1.065 1104 V HN 1.533 nan 8.190 nan 0.000 0.431 1105 G N 2.815 111.516 108.800 -0.166 0.000 2.347 1105 G HA2 0.279 4.239 3.960 0.000 0.000 0.321 1105 G HA3 0.279 4.239 3.960 0.000 0.000 0.321 1105 G C -1.983 173.075 174.900 0.263 0.000 1.412 1105 G CA -0.929 44.132 45.100 -0.066 0.000 0.990 1105 G HN 0.797 nan 8.290 nan 0.000 0.637 1106 N N -0.335 118.530 118.700 0.276 0.000 2.430 1106 N HA 0.819 5.559 4.740 0.000 0.000 0.298 1106 N C 0.430 176.082 175.510 0.237 0.000 1.130 1106 N CA -0.585 52.610 53.050 0.242 0.000 0.894 1106 N CB 1.608 40.180 38.487 0.141 0.000 1.209 1106 N HN 0.609 nan 8.380 nan 0.000 0.503 1107 M N 0.400 120.089 119.600 0.148 0.000 2.826 1107 M HA 0.533 5.013 4.480 0.000 0.000 0.288 1107 M C -0.445 175.889 176.300 0.056 0.000 1.141 1107 M CA -0.733 54.593 55.300 0.042 0.000 0.816 1107 M CB 1.700 34.283 32.600 -0.028 0.000 1.704 1107 M HN 0.262 nan 8.290 nan 0.000 0.497 1108 R N 0.575 121.107 120.500 0.054 0.000 2.510 1108 R HA 0.612 4.952 4.340 0.000 0.000 0.287 1108 R C -2.032 174.433 176.300 0.275 0.000 1.084 1108 R CA -0.376 55.820 56.100 0.159 0.000 0.934 1108 R CB 2.143 32.538 30.300 0.158 0.000 1.201 1108 R HN 0.496 nan 8.270 nan 0.000 0.431 1109 V N 3.620 123.667 119.914 0.222 0.000 2.630 1109 V HA 0.597 4.717 4.120 0.000 0.000 0.305 1109 V C -0.074 176.078 176.094 0.096 0.000 1.046 1109 V CA -0.795 61.611 62.300 0.177 0.000 0.934 1109 V CB 1.920 33.809 31.823 0.111 0.000 1.003 1109 V HN 0.649 nan 8.190 nan 0.000 0.451 1110 R N 2.937 123.433 120.500 -0.007 0.000 2.538 1110 R HA 0.699 5.039 4.340 0.000 0.000 0.292 1110 R C -1.600 174.670 176.300 -0.050 0.000 1.008 1110 R CA -0.485 55.513 56.100 -0.170 0.000 0.896 1110 R CB 1.767 31.707 30.300 -0.598 0.000 1.187 1110 R HN 0.690 nan 8.270 nan 0.000 0.440 1111 I N 4.165 124.745 120.570 0.017 0.000 2.530 1111 I HA 0.458 4.628 4.170 0.000 0.000 0.297 1111 I C -0.267 175.908 176.117 0.097 0.000 1.011 1111 I CA -0.800 60.573 61.300 0.122 0.000 1.107 1111 I CB 2.183 40.331 38.000 0.245 0.000 1.285 1111 I HN 0.422 nan 8.210 nan 0.000 0.436 1112 M N 6.185 125.849 119.600 0.106 0.000 2.464 1112 M HA 0.590 5.070 4.480 0.000 0.000 0.308 1112 M C -1.359 174.968 176.300 0.045 0.000 1.127 1112 M CA -0.551 54.779 55.300 0.050 0.000 0.913 1112 M CB 2.798 35.394 32.600 -0.007 0.000 1.689 1112 M HN 0.340 nan 8.290 nan 0.000 0.445 1113 L N 1.822 123.070 121.223 0.042 0.000 2.381 1113 L HA 0.687 5.027 4.340 0.000 0.000 0.274 1113 L C -0.308 176.563 176.870 0.003 0.000 0.988 1113 L CA -0.792 54.064 54.840 0.026 0.000 0.824 1113 L CB 2.037 44.157 42.059 0.102 0.000 1.263 1113 L HN 0.816 nan 8.230 nan 0.000 0.410 1114 A N 2.710 125.505 122.820 -0.041 0.000 3.000 1114 A HA 0.673 4.993 4.320 0.000 0.000 0.315 1114 A C 0.429 178.021 177.584 0.013 0.000 1.434 1114 A CA -0.194 51.826 52.037 -0.028 0.000 1.108 1114 A CB -0.158 18.798 19.000 -0.074 0.000 1.171 1114 A HN 0.780 nan 8.150 nan 0.000 0.524 1115 G N 0.513 109.360 108.800 0.078 0.000 2.557 1115 G HA2 0.492 4.452 3.960 0.000 0.000 0.302 1115 G HA3 0.492 4.452 3.960 0.000 0.000 0.302 1115 G C -0.210 174.806 174.900 0.195 0.000 1.311 1115 G CA -0.523 44.680 45.100 0.172 0.000 1.030 1115 G HN 0.504 nan 8.290 nan 0.000 0.509 1116 N N -1.952 116.876 118.700 0.213 0.000 2.906 1116 N HA 0.539 5.279 4.740 0.000 0.000 0.327 1116 N C 1.027 176.611 175.510 0.124 0.000 1.344 1116 N CA 0.024 53.129 53.050 0.092 0.000 0.823 1116 N CB 1.732 40.123 38.487 -0.159 0.000 1.351 1116 N HN 0.415 nan 8.380 nan 0.000 0.604 1117 A N -0.426 122.514 122.820 0.200 0.000 2.238 1117 A HA 0.169 4.489 4.320 0.000 0.000 0.210 1117 A C 0.659 178.425 177.584 0.302 0.000 1.179 1117 A CA 0.544 52.724 52.037 0.237 0.000 0.827 1117 A CB -0.405 18.738 19.000 0.239 0.000 0.856 1117 A HN 0.443 nan 8.150 nan 0.000 0.488 1118 F N 0.812 120.696 119.950 -0.110 0.000 2.776 1118 F HA 0.111 4.638 4.527 0.000 0.000 0.300 1118 F C 1.165 176.885 175.800 -0.134 0.000 1.116 1118 F CA 0.367 58.277 58.000 -0.151 0.000 1.375 1118 F CB -0.361 38.477 39.000 -0.270 0.000 1.109 1118 F HN 0.122 nan 8.300 nan 0.000 0.585 1119 T N -0.433 114.194 114.554 0.121 0.000 2.781 1119 T HA 0.777 5.127 4.350 0.000 0.000 0.305 1119 T C -0.109 174.648 174.700 0.094 0.000 1.001 1119 T CA -0.654 61.508 62.100 0.104 0.000 0.950 1119 T CB 1.217 70.194 68.868 0.181 0.000 0.955 1119 T HN 0.135 nan 8.240 nan 0.000 0.471 1120 A N 2.880 125.739 122.820 0.066 0.000 2.305 1120 A HA 1.015 5.335 4.320 0.000 0.000 0.322 1120 A C 0.573 178.192 177.584 0.058 0.000 1.187 1120 A CA -0.330 51.738 52.037 0.052 0.000 0.825 1120 A CB 0.863 19.877 19.000 0.024 0.000 1.164 1120 A HN 1.654 nan 8.150 nan 0.000 0.498 1121 G N 1.191 110.030 108.800 0.064 0.000 2.328 1121 G HA2 0.504 4.464 3.960 0.000 0.000 0.299 1121 G HA3 0.504 4.464 3.960 0.000 0.000 0.299 1121 G C -2.054 172.902 174.900 0.094 0.000 1.435 1121 G CA -0.904 44.239 45.100 0.070 0.000 0.865 1121 G HN 0.642 nan 8.290 nan 0.000 0.601 1122 K N -0.183 120.286 120.400 0.115 0.000 2.498 1122 K HA 0.670 4.990 4.320 0.000 0.000 0.254 1122 K C -0.431 176.288 176.600 0.198 0.000 0.933 1122 K CA -0.641 55.748 56.287 0.170 0.000 0.806 1122 K CB 2.452 35.098 32.500 0.244 0.000 1.301 1122 K HN 0.984 nan 8.250 nan 0.000 0.432 1123 I N -1.369 119.295 120.570 0.156 0.000 2.740 1123 I HA 0.564 4.734 4.170 0.000 0.000 0.303 1123 I C -0.641 175.484 176.117 0.014 0.000 1.044 1123 I CA -1.109 60.249 61.300 0.097 0.000 1.064 1123 I CB 1.821 39.860 38.000 0.064 0.000 1.249 1123 I HN 0.283 nan 8.210 nan 0.000 0.433 1124 I N 4.696 125.223 120.570 -0.070 0.000 2.465 1124 I HA 0.491 4.661 4.170 0.000 0.000 0.291 1124 I C -0.791 175.240 176.117 -0.143 0.000 1.014 1124 I CA -0.764 60.434 61.300 -0.169 0.000 1.093 1124 I CB 2.187 39.987 38.000 -0.333 0.000 1.267 1124 I HN 0.424 nan 8.210 nan 0.000 0.431 1125 V N 6.159 126.022 119.914 -0.086 0.000 2.407 1125 V HA 0.511 4.631 4.120 0.000 0.000 0.291 1125 V C -0.095 175.983 176.094 -0.027 0.000 1.018 1125 V CA -0.462 61.784 62.300 -0.090 0.000 0.842 1125 V CB 1.640 33.450 31.823 -0.022 0.000 0.996 1125 V HN 0.795 nan 8.190 nan 0.000 0.426 1126 S N 2.634 118.294 115.700 -0.067 0.000 2.536 1126 S HA 0.533 5.003 4.470 0.000 0.000 0.298 1126 S C -0.462 174.073 174.600 -0.108 0.000 1.083 1126 S CA -0.576 57.602 58.200 -0.036 0.000 0.995 1126 S CB 1.715 64.886 63.200 -0.047 0.000 1.058 1126 S HN 0.765 nan 8.310 nan 0.000 0.488 1127 C N 3.091 122.349 119.300 -0.070 0.000 2.285 1127 C HA 0.540 5.000 4.460 0.000 0.000 0.335 1127 C C 0.214 175.055 174.990 -0.249 0.000 1.267 1127 C CA -0.850 58.114 59.018 -0.090 0.000 1.762 1127 C CB -1.525 26.218 27.740 0.005 0.000 2.365 1127 C HN 0.701 nan 8.230 nan 0.000 0.527 1128 I N 6.704 127.080 120.570 -0.323 0.000 2.330 1128 I HA 0.298 4.468 4.170 0.000 0.000 0.289 1128 I C -1.862 174.180 176.117 -0.125 0.000 1.001 1128 I CA -1.745 59.271 61.300 -0.473 0.000 1.193 1128 I CB 1.612 39.299 38.000 -0.521 0.000 1.345 1128 I HN 0.413 nan 8.210 nan 0.000 0.461 1129 P HA 0.176 nan 4.420 nan 0.000 0.272 1129 P C -2.603 174.772 177.300 0.126 0.000 1.230 1129 P CA -1.319 61.827 63.100 0.077 0.000 0.788 1129 P CB -0.059 31.709 31.700 0.113 0.000 0.949 1130 P HA 0.056 nan 4.420 nan 0.000 0.272 1130 P C 0.871 178.264 177.300 0.156 0.000 1.223 1130 P CA 0.700 63.878 63.100 0.130 0.000 0.784 1130 P CB 0.213 31.979 31.700 0.110 0.000 0.923 1131 G N 1.599 110.490 108.800 0.151 0.000 2.258 1131 G HA2 -0.356 3.604 3.960 0.000 0.000 0.233 1131 G HA3 -0.356 3.604 3.960 0.000 0.000 0.233 1131 G C 0.629 175.652 174.900 0.204 0.000 1.006 1131 G CA 0.245 45.432 45.100 0.146 0.000 0.620 1131 G HN 0.483 nan 8.290 nan 0.000 0.511 1132 F N 2.347 122.366 119.950 0.116 0.000 2.234 1132 F HA 0.353 4.880 4.527 0.000 0.000 0.299 1132 F C 1.953 177.889 175.800 0.225 0.000 1.087 1132 F CA 2.821 60.925 58.000 0.173 0.000 1.340 1132 F CB -0.139 38.980 39.000 0.199 0.000 1.031 1132 F HN 1.420 nan 8.300 nan 0.000 0.500 1133 G N -0.165 108.689 108.800 0.090 0.000 2.632 1133 G HA2 -0.118 3.842 3.960 0.000 0.000 0.224 1133 G HA3 -0.118 3.842 3.960 0.000 0.000 0.224 1133 G C -0.656 174.191 174.900 -0.087 0.000 1.341 1133 G CA -0.279 44.781 45.100 -0.067 0.000 0.880 1133 G HN 0.996 nan 8.290 nan 0.000 0.566 1134 S N -0.305 115.216 115.700 -0.298 0.000 2.502 1134 S HA 0.851 5.321 4.470 0.000 0.000 0.304 1134 S C -0.651 173.641 174.600 -0.513 0.000 1.097 1134 S CA -0.407 57.666 58.200 -0.211 0.000 1.045 1134 S CB 2.120 65.246 63.200 -0.123 0.000 1.019 1134 S HN 1.097 nan 8.310 nan 0.000 0.481 1135 H N 0.303 119.372 119.070 -0.002 0.000 2.990 1135 H HA 0.522 5.078 4.556 0.000 0.000 0.343 1135 H C -1.094 174.281 175.328 0.079 0.000 1.270 1135 H CA -1.005 55.050 56.048 0.011 0.000 1.118 1135 H CB 0.947 30.698 29.762 -0.019 0.000 1.861 1135 H HN 0.540 nan 8.280 nan 0.000 0.544 1136 N N 1.487 120.310 118.700 0.206 0.000 2.420 1136 N HA 0.254 4.994 4.740 0.000 0.000 0.249 1136 N C -0.983 174.629 175.510 0.168 0.000 1.033 1136 N CA -0.271 52.869 53.050 0.150 0.000 0.944 1136 N CB 0.772 39.322 38.487 0.104 0.000 1.113 1136 N HN 0.335 nan 8.380 nan 0.000 0.502 1137 L N 1.275 122.601 121.223 0.172 0.000 2.309 1137 L HA 0.419 4.759 4.340 0.000 0.000 0.282 1137 L C 1.158 178.100 176.870 0.120 0.000 1.036 1137 L CA -0.896 54.046 54.840 0.171 0.000 0.806 1137 L CB 1.401 43.595 42.059 0.225 0.000 1.220 1137 L HN 0.461 nan 8.230 nan 0.000 0.429 1138 T N -1.148 113.467 114.554 0.101 0.000 2.868 1138 T HA 0.246 4.596 4.350 0.000 0.000 0.292 1138 T C 1.552 176.308 174.700 0.094 0.000 1.028 1138 T CA -0.689 61.459 62.100 0.080 0.000 1.059 1138 T CB 0.851 69.755 68.868 0.060 0.000 0.991 1138 T HN 0.579 nan 8.240 nan 0.000 0.531 1139 I N 0.131 120.762 120.570 0.103 0.000 2.300 1139 I HA -0.115 4.055 4.170 0.000 0.000 0.252 1139 I C 2.579 178.806 176.117 0.184 0.000 1.119 1139 I CA 1.656 63.060 61.300 0.172 0.000 1.384 1139 I CB -1.225 36.904 38.000 0.214 0.000 1.062 1139 I HN 0.703 nan 8.210 nan 0.000 0.426 1140 A N 1.652 124.545 122.820 0.122 0.000 1.877 1140 A HA -0.213 4.107 4.320 0.000 0.000 0.216 1140 A C 2.391 179.993 177.584 0.031 0.000 1.186 1140 A CA 1.902 53.989 52.037 0.084 0.000 0.620 1140 A CB -0.715 18.314 19.000 0.047 0.000 0.822 1140 A HN 0.705 nan 8.150 nan 0.000 0.443 1141 Q N -0.473 119.351 119.800 0.040 0.000 2.167 1141 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 1141 Q C 2.253 178.281 176.000 0.047 0.000 0.970 1141 Q CA 1.101 56.914 55.803 0.018 0.000 0.855 1141 Q CB -0.456 28.323 28.738 0.068 0.000 0.911 1141 Q HN 0.634 nan 8.270 nan 0.000 0.438 1142 A N 1.255 124.132 122.820 0.094 0.000 2.024 1142 A HA -0.158 4.162 4.320 0.000 0.000 0.220 1142 A C 2.156 179.746 177.584 0.010 0.000 1.164 1142 A CA 1.717 53.829 52.037 0.125 0.000 0.643 1142 A CB -0.714 18.309 19.000 0.037 0.000 0.806 1142 A HN 0.331 nan 8.150 nan 0.000 0.451 1143 T N 0.266 114.727 114.554 -0.155 0.000 2.951 1143 T HA 0.015 4.365 4.350 0.000 0.000 0.268 1143 T C 1.501 176.030 174.700 -0.285 0.000 1.073 1143 T CA 1.042 62.884 62.100 -0.431 0.000 1.134 1143 T CB -0.305 68.350 68.868 -0.354 0.000 0.884 1143 T HN 0.402 nan 8.240 nan 0.000 0.479 1144 L N -0.173 120.937 121.223 -0.188 0.000 2.549 1144 L HA 0.146 4.486 4.340 0.000 0.000 0.229 1144 L C 0.182 176.861 176.870 -0.318 0.000 1.158 1144 L CA 0.506 55.193 54.840 -0.254 0.000 0.842 1144 L CB -0.435 41.415 42.059 -0.348 0.000 0.952 1144 L HN 0.179 nan 8.230 nan 0.000 0.452 1145 F N -0.294 119.630 119.950 -0.043 0.000 2.450 1145 F HA 0.398 4.925 4.527 0.000 0.000 0.328 1145 F C -1.791 174.075 175.800 0.111 0.000 1.068 1145 F CA -2.779 55.205 58.000 -0.026 0.000 1.007 1145 F CB 0.384 39.331 39.000 -0.088 0.000 1.251 1145 F HN -0.303 nan 8.300 nan 0.000 0.492 1146 P HA 0.042 nan 4.420 nan 0.000 0.263 1146 P C -1.131 176.249 177.300 0.135 0.000 1.195 1146 P CA 0.617 63.788 63.100 0.118 0.000 0.762 1146 P CB 0.269 32.006 31.700 0.061 0.000 0.799 1147 H N 0.556 119.634 119.070 0.013 0.000 2.943 1147 H HA 0.704 5.260 4.556 0.000 0.000 0.323 1147 H C -1.565 173.745 175.328 -0.029 0.000 1.296 1147 H CA -1.254 54.782 56.048 -0.019 0.000 1.155 1147 H CB 1.121 30.853 29.762 -0.051 0.000 1.882 1147 H HN 0.113 nan 8.280 nan 0.000 0.553 1148 V N 1.440 121.375 119.914 0.036 0.000 2.808 1148 V HA 0.376 4.496 4.120 0.000 0.000 0.308 1148 V C -0.250 175.874 176.094 0.051 0.000 1.099 1148 V CA -0.638 61.662 62.300 -0.000 0.000 0.920 1148 V CB 2.068 33.889 31.823 -0.003 0.000 1.014 1148 V HN 0.618 nan 8.190 nan 0.000 0.425 1149 I N 3.048 123.650 120.570 0.054 0.000 2.530 1149 I HA 0.905 5.075 4.170 0.000 0.000 0.297 1149 I C 0.016 176.168 176.117 0.058 0.000 1.011 1149 I CA -0.671 60.650 61.300 0.034 0.000 1.107 1149 I CB 2.125 40.142 38.000 0.028 0.000 1.285 1149 I HN 0.745 nan 8.210 nan 0.000 0.436 1150 A N 4.028 126.893 122.820 0.073 0.000 2.486 1150 A HA 0.434 4.754 4.320 0.000 0.000 0.300 1150 A C -1.343 176.302 177.584 0.100 0.000 1.048 1150 A CA -0.624 51.463 52.037 0.083 0.000 0.696 1150 A CB 1.725 20.774 19.000 0.081 0.000 1.278 1150 A HN 0.713 nan 8.150 nan 0.000 0.405 1151 D N 1.723 122.178 120.400 0.092 0.000 2.308 1151 D HA 0.206 4.846 4.640 0.000 0.000 0.251 1151 D C 1.596 177.955 176.300 0.097 0.000 1.127 1151 D CA 0.269 54.325 54.000 0.093 0.000 0.876 1151 D CB 1.720 42.566 40.800 0.077 0.000 1.176 1151 D HN 0.605 nan 8.370 nan 0.000 0.446 1152 V N 2.838 122.816 119.914 0.108 0.000 2.982 1152 V HA -0.179 3.941 4.120 0.000 0.000 0.265 1152 V C 1.907 178.066 176.094 0.107 0.000 1.122 1152 V CA 1.174 63.545 62.300 0.119 0.000 1.143 1152 V CB -0.676 31.226 31.823 0.131 0.000 0.726 1152 V HN 0.464 nan 8.190 nan 0.000 0.507 1153 R N 1.230 121.786 120.500 0.093 0.000 2.153 1153 R HA 0.063 4.403 4.340 0.000 0.000 0.218 1153 R C 1.067 177.410 176.300 0.071 0.000 1.072 1153 R CA 0.796 56.947 56.100 0.085 0.000 0.990 1153 R CB -0.613 29.733 30.300 0.076 0.000 0.889 1153 R HN 0.730 nan 8.270 nan 0.000 0.452 1154 T N 0.327 114.920 114.554 0.066 0.000 2.867 1154 T HA -0.079 4.271 4.350 0.000 0.000 0.290 1154 T C 1.184 175.911 174.700 0.045 0.000 1.025 1154 T CA 0.159 62.290 62.100 0.053 0.000 1.146 1154 T CB 0.596 69.495 68.868 0.052 0.000 1.024 1154 T HN 0.054 nan 8.240 nan 0.000 0.519 1155 L N 0.823 122.067 121.223 0.035 0.000 2.307 1155 L HA 0.178 4.518 4.340 0.000 0.000 0.211 1155 L C 1.254 178.135 176.870 0.017 0.000 1.099 1155 L CA 0.596 55.451 54.840 0.026 0.000 0.816 1155 L CB -0.154 41.919 42.059 0.023 0.000 0.952 1155 L HN 0.657 nan 8.230 nan 0.000 0.455 1156 D N 0.960 121.371 120.400 0.018 0.000 2.312 1156 D HA 0.250 4.890 4.640 0.000 0.000 0.248 1156 D C -2.110 174.193 176.300 0.005 0.000 1.086 1156 D CA -1.167 52.837 54.000 0.007 0.000 0.948 1156 D CB 0.727 41.532 40.800 0.008 0.000 1.162 1156 D HN -0.044 nan 8.370 nan 0.000 0.446 1157 P HA 0.311 nan 4.420 nan 0.000 0.278 1157 P C -0.588 176.698 177.300 -0.023 0.000 1.266 1157 P CA -0.492 62.590 63.100 -0.030 0.000 0.807 1157 P CB 1.299 32.945 31.700 -0.089 0.000 1.094 1158 I N 0.505 121.068 120.570 -0.011 0.000 2.474 1158 I HA 0.396 4.566 4.170 0.000 0.000 0.294 1158 I C 0.460 176.564 176.117 -0.022 0.000 1.005 1158 I CA -0.714 60.588 61.300 0.004 0.000 1.113 1158 I CB 1.252 39.280 38.000 0.047 0.000 1.289 1158 I HN 0.475 nan 8.210 nan 0.000 0.436 1159 E N 4.787 124.977 120.200 -0.017 0.000 2.187 1159 E HA 0.685 5.035 4.350 0.000 0.000 0.268 1159 E C -1.769 174.849 176.600 0.030 0.000 0.896 1159 E CA -0.512 55.880 56.400 -0.012 0.000 0.766 1159 E CB 2.225 31.915 29.700 -0.017 0.000 1.142 1159 E HN 0.379 nan 8.360 nan 0.000 0.408 1160 V N 6.063 126.011 119.914 0.057 0.000 2.623 1160 V HA 0.403 4.523 4.120 0.000 0.000 0.304 1160 V C -2.410 173.734 176.094 0.084 0.000 1.054 1160 V CA -1.593 60.745 62.300 0.062 0.000 0.882 1160 V CB 1.819 33.681 31.823 0.065 0.000 1.002 1160 V HN 0.663 nan 8.190 nan 0.000 0.424 1161 P HA 0.286 nan 4.420 nan 0.000 0.286 1161 P C -0.922 176.425 177.300 0.077 0.000 1.269 1161 P CA -0.394 62.755 63.100 0.082 0.000 0.787 1161 P CB 1.922 33.663 31.700 0.069 0.000 0.920 1162 L N 4.282 125.556 121.223 0.086 0.000 2.314 1162 L HA 0.248 4.589 4.340 0.000 0.000 0.275 1162 L C 0.447 177.379 176.870 0.104 0.000 1.068 1162 L CA -0.242 54.650 54.840 0.087 0.000 0.894 1162 L CB -0.211 41.896 42.059 0.080 0.000 1.275 1162 L HN 0.267 nan 8.230 nan 0.000 0.432 1163 E N 1.781 122.038 120.200 0.096 0.000 2.383 1163 E HA -0.010 4.340 4.350 0.000 0.000 0.264 1163 E C -0.527 176.152 176.600 0.131 0.000 1.050 1163 E CA -0.134 56.328 56.400 0.103 0.000 0.896 1163 E CB 0.970 30.717 29.700 0.078 0.000 0.982 1163 E HN 0.352 nan 8.360 nan 0.000 0.424 1164 D N 2.308 122.797 120.400 0.149 0.000 2.631 1164 D HA 0.087 4.727 4.640 0.000 0.000 0.227 1164 D C -0.771 175.613 176.300 0.139 0.000 1.146 1164 D CA -0.399 53.715 54.000 0.189 0.000 1.009 1164 D CB -0.206 40.725 40.800 0.218 0.000 1.057 1164 D HN 0.002 nan 8.370 nan 0.000 0.509 1165 V N 3.777 123.764 119.914 0.123 0.000 2.493 1165 V HA 0.122 4.242 4.120 0.000 0.000 0.292 1165 V C 0.971 177.126 176.094 0.101 0.000 1.016 1165 V CA 0.318 62.673 62.300 0.092 0.000 1.097 1165 V CB 0.183 32.058 31.823 0.085 0.000 0.947 1165 V HN 0.284 nan 8.190 nan 0.000 0.479 1166 R N 3.501 124.029 120.500 0.048 0.000 2.740 1166 R HA 0.379 4.719 4.340 0.000 0.000 0.282 1166 R C 0.589 176.876 176.300 -0.022 0.000 0.969 1166 R CA -0.720 55.380 56.100 0.000 0.000 0.918 1166 R CB 1.291 31.523 30.300 -0.114 0.000 1.175 1166 R HN 0.597 nan 8.270 nan 0.000 0.464 1167 N N 0.762 119.441 118.700 -0.034 0.000 2.348 1167 N HA 0.000 4.740 4.740 0.000 0.000 0.183 1167 N C -0.162 175.296 175.510 -0.087 0.000 1.094 1167 N CA 0.357 53.385 53.050 -0.037 0.000 0.885 1167 N CB 0.741 39.222 38.487 -0.011 0.000 1.065 1167 N HN 0.350 nan 8.380 nan 0.000 0.472 1168 V N -1.506 118.315 119.914 -0.154 0.000 3.103 1168 V HA 0.417 4.538 4.120 0.000 0.000 0.318 1168 V C 1.684 177.609 176.094 -0.282 0.000 1.114 1168 V CA -0.831 61.330 62.300 -0.233 0.000 1.020 1168 V CB 1.351 32.987 31.823 -0.311 0.000 1.085 1168 V HN -0.075 nan 8.190 nan 0.000 0.446 1169 L N 0.604 121.656 121.223 -0.285 0.000 2.079 1169 L HA 0.059 4.399 4.340 0.000 0.000 0.210 1169 L C 0.864 177.666 176.870 -0.112 0.000 1.081 1169 L CA 2.228 56.975 54.840 -0.155 0.000 0.752 1169 L CB -0.499 41.541 42.059 -0.032 0.000 0.896 1169 L HN 0.867 nan 8.230 nan 0.000 0.433 1170 F N -4.076 115.638 119.950 -0.392 0.000 3.052 1170 F HA 0.506 5.033 4.527 0.000 0.000 0.323 1170 F C -0.742 174.613 175.800 -0.742 0.000 1.178 1170 F CA -1.620 56.039 58.000 -0.567 0.000 0.892 1170 F CB 0.969 39.761 39.000 -0.347 0.000 1.416 1170 F HN -0.278 nan 8.300 nan 0.000 0.488 1171 H N -0.015 118.899 119.070 -0.261 0.000 2.569 1171 H HA 0.528 5.084 4.556 0.000 0.000 0.357 1171 H C -0.915 174.325 175.328 -0.147 0.000 1.153 1171 H CA -0.979 54.788 56.048 -0.468 0.000 1.193 1171 H CB 1.449 30.503 29.762 -1.180 0.000 1.602 1171 H HN 0.465 nan 8.280 nan 0.000 0.523 1172 N N 0.801 119.577 118.700 0.126 0.000 2.459 1172 N HA 0.158 4.898 4.740 0.000 0.000 0.288 1172 N C -0.620 175.087 175.510 0.329 0.000 1.186 1172 N CA -0.723 52.470 53.050 0.237 0.000 0.917 1172 N CB 1.011 39.595 38.487 0.162 0.000 1.219 1172 N HN 0.544 nan 8.380 nan 0.000 0.525 1173 N N 1.353 120.262 118.700 0.348 0.000 2.406 1173 N HA 0.061 4.801 4.740 0.000 0.000 0.269 1173 N C -1.193 174.458 175.510 0.235 0.000 1.210 1173 N CA 0.525 53.786 53.050 0.351 0.000 0.966 1173 N CB -0.351 38.311 38.487 0.293 0.000 1.293 1173 N HN 0.467 nan 8.380 nan 0.000 0.491 1174 D N 0.083 120.629 120.400 0.243 0.000 2.688 1174 D HA 0.089 4.729 4.640 0.000 0.000 0.210 1174 D C -0.163 176.228 176.300 0.151 0.000 1.333 1174 D CA -0.461 53.630 54.000 0.153 0.000 0.920 1174 D CB 0.954 41.826 40.800 0.120 0.000 1.554 1174 D HN 0.172 nan 8.370 nan 0.000 0.579 1175 R N 2.907 123.459 120.500 0.087 0.000 2.363 1175 R HA 0.150 4.490 4.340 0.000 0.000 0.236 1175 R C 0.514 176.828 176.300 0.024 0.000 0.966 1175 R CA 0.135 56.262 56.100 0.045 0.000 1.100 1175 R CB 0.027 30.296 30.300 -0.052 0.000 1.125 1175 R HN 0.226 nan 8.270 nan 0.000 0.514 1176 N N -0.380 118.345 118.700 0.042 0.000 2.254 1176 N HA -0.015 4.725 4.740 0.000 0.000 0.190 1176 N C -0.366 175.170 175.510 0.043 0.000 1.107 1176 N CA 0.107 53.173 53.050 0.027 0.000 0.869 1176 N CB 0.486 38.985 38.487 0.021 0.000 0.983 1176 N HN 0.081 nan 8.380 nan 0.000 0.487 1177 Q N 0.564 120.407 119.800 0.071 0.000 2.373 1177 Q HA 0.083 4.423 4.340 0.000 0.000 0.255 1177 Q C -0.462 175.581 176.000 0.072 0.000 0.980 1177 Q CA 0.369 56.220 55.803 0.080 0.000 0.882 1177 Q CB 0.784 29.592 28.738 0.116 0.000 1.249 1177 Q HN 0.341 nan 8.270 nan 0.000 0.438 1178 Q N 1.574 121.416 119.800 0.070 0.000 2.368 1178 Q HA 0.283 4.623 4.340 0.000 0.000 0.256 1178 Q C -0.767 175.280 176.000 0.078 0.000 0.980 1178 Q CA -0.052 55.794 55.803 0.071 0.000 0.887 1178 Q CB 1.031 29.810 28.738 0.069 0.000 1.221 1178 Q HN 0.550 nan 8.270 nan 0.000 0.458 1179 T N 0.853 115.452 114.554 0.074 0.000 2.927 1179 T HA 0.437 4.787 4.350 0.000 0.000 0.286 1179 T C -0.056 174.701 174.700 0.095 0.000 1.040 1179 T CA -0.843 61.299 62.100 0.071 0.000 1.010 1179 T CB 1.201 70.114 68.868 0.074 0.000 1.177 1179 T HN 0.531 nan 8.240 nan 0.000 0.546 1180 M N 1.903 121.566 119.600 0.106 0.000 2.245 1180 M HA 0.265 4.745 4.480 0.000 0.000 0.344 1180 M C -0.045 176.299 176.300 0.073 0.000 1.170 1180 M CA 0.178 55.529 55.300 0.085 0.000 1.135 1180 M CB 0.288 32.942 32.600 0.089 0.000 1.574 1180 M HN 0.566 nan 8.290 nan 0.000 0.452 1181 R N 4.270 124.793 120.500 0.039 0.000 2.892 1181 R HA 0.746 5.086 4.340 0.000 0.000 0.265 1181 R C -1.462 174.844 176.300 0.010 0.000 1.025 1181 R CA -1.101 55.021 56.100 0.037 0.000 0.982 1181 R CB 1.098 31.416 30.300 0.030 0.000 1.185 1181 R HN 0.664 nan 8.270 nan 0.000 0.484 1182 L N 2.027 123.283 121.223 0.055 0.000 2.343 1182 L HA 0.447 4.787 4.340 0.000 0.000 0.278 1182 L C -1.172 175.720 176.870 0.036 0.000 0.996 1182 L CA -1.077 53.801 54.840 0.064 0.000 0.831 1182 L CB 2.142 44.307 42.059 0.177 0.000 1.232 1182 L HN 0.409 nan 8.230 nan 0.000 0.413 1183 V N 3.155 123.001 119.914 -0.112 0.000 2.417 1183 V HA 0.278 4.398 4.120 0.000 0.000 0.291 1183 V C -0.202 175.646 176.094 -0.410 0.000 1.024 1183 V CA -0.583 61.582 62.300 -0.225 0.000 0.861 1183 V CB 1.906 33.627 31.823 -0.170 0.000 0.985 1183 V HN 0.829 nan 8.190 nan 0.000 0.436 1184 C N 7.875 126.690 119.300 -0.809 0.000 2.303 1184 C HA 0.784 5.244 4.460 0.000 0.000 0.326 1184 C C -0.122 174.560 174.990 -0.515 0.000 1.285 1184 C CA -0.491 58.003 59.018 -0.874 0.000 1.675 1184 C CB -0.245 26.407 27.740 -1.812 0.000 2.289 1184 C HN 0.942 nan 8.230 nan 0.000 0.512 1185 M N 4.666 124.095 119.600 -0.285 0.000 2.644 1185 M HA 0.423 4.903 4.480 0.000 0.000 0.304 1185 M C -0.989 175.285 176.300 -0.045 0.000 1.215 1185 M CA -0.874 54.348 55.300 -0.129 0.000 0.871 1185 M CB 1.874 34.441 32.600 -0.055 0.000 1.740 1185 M HN 0.482 nan 8.290 nan 0.000 0.464 1186 L N 1.925 123.159 121.223 0.017 0.000 2.325 1186 L HA 0.102 4.442 4.340 0.000 0.000 0.284 1186 L C 0.136 177.088 176.870 0.137 0.000 1.089 1186 L CA 0.446 55.328 54.840 0.071 0.000 0.836 1186 L CB 0.135 42.230 42.059 0.061 0.000 1.184 1186 L HN 0.615 nan 8.230 nan 0.000 0.444 1187 Y N 3.535 123.831 120.300 -0.007 0.000 2.286 1187 Y HA 0.060 4.610 4.550 0.000 0.000 0.293 1187 Y C 1.040 176.941 175.900 0.000 0.000 1.124 1187 Y CA 0.775 58.870 58.100 -0.007 0.000 1.178 1187 Y CB 0.098 38.556 38.460 -0.004 0.000 1.010 1187 Y HN 0.686 nan 8.280 nan 0.000 0.536 1188 T N -1.349 113.201 114.554 -0.007 0.000 2.906 1188 T HA 0.483 4.833 4.350 0.000 0.000 0.295 1188 T C -3.047 171.642 174.700 -0.019 0.000 1.075 1188 T CA -2.382 59.661 62.100 -0.095 0.000 1.005 1188 T CB 2.326 71.126 68.868 -0.114 0.000 1.136 1188 T HN -0.123 nan 8.240 nan 0.000 0.498 1189 P HA 0.196 nan 4.420 nan 0.000 0.268 1189 P C -0.470 176.835 177.300 0.009 0.000 1.204 1189 P CA -0.566 62.529 63.100 -0.008 0.000 0.768 1189 P CB 0.525 32.213 31.700 -0.020 0.000 0.842 1190 L N 5.260 126.497 121.223 0.024 0.000 2.418 1190 L HA 0.146 4.486 4.340 0.000 0.000 0.274 1190 L C 0.479 177.365 176.870 0.027 0.000 1.135 1190 L CA 0.585 55.450 54.840 0.041 0.000 0.870 1190 L CB -0.357 41.737 42.059 0.058 0.000 1.154 1190 L HN 0.287 nan 8.230 nan 0.000 0.462 1191 R N 3.741 124.258 120.500 0.028 0.000 2.407 1191 R HA 0.290 4.631 4.340 0.000 0.000 0.298 1191 R C -0.504 175.806 176.300 0.016 0.000 1.166 1191 R CA -0.446 55.661 56.100 0.012 0.000 1.006 1191 R CB 0.792 31.091 30.300 -0.003 0.000 1.145 1191 R HN 0.737 nan 8.270 nan 0.000 0.538 1192 T N -0.739 113.826 114.554 0.019 0.000 2.869 1192 T HA 0.523 4.873 4.350 0.000 0.000 0.295 1192 T C 0.766 175.464 174.700 -0.003 0.000 0.987 1192 T CA -0.487 61.621 62.100 0.014 0.000 1.109 1192 T CB 1.930 70.799 68.868 0.001 0.000 0.932 1192 T HN 0.536 nan 8.240 nan 0.000 0.518 1193 G N 0.479 109.268 108.800 -0.019 0.000 2.938 1193 G HA2 0.737 4.697 3.960 0.000 0.000 0.258 1193 G HA3 0.737 4.697 3.960 0.000 0.000 0.258 1193 G C 0.569 175.418 174.900 -0.085 0.000 1.356 1193 G CA -0.349 44.700 45.100 -0.085 0.000 1.052 1193 G HN 1.571 nan 8.290 nan 0.000 0.550 1194 G N -0.969 107.728 108.800 -0.172 0.000 2.527 1194 G HA2 0.206 4.166 3.960 0.000 0.000 0.268 1194 G HA3 0.206 4.166 3.960 0.000 0.000 0.268 1194 G C 0.984 175.883 174.900 -0.001 0.000 1.175 1194 G CA 0.541 45.559 45.100 -0.136 0.000 0.962 1194 G HN 1.867 nan 8.290 nan 0.000 0.560 1195 G N 0.332 109.181 108.800 0.083 0.000 3.574 1195 G HA2 0.474 4.434 3.960 0.000 0.000 0.262 1195 G HA3 0.474 4.434 3.960 0.000 0.000 0.262 1195 G C 0.681 175.614 174.900 0.053 0.000 1.231 1195 G CA 1.077 46.213 45.100 0.060 0.000 1.608 1195 G HN 1.455 nan 8.290 nan 0.000 0.628 1196 T N 0.905 115.484 114.554 0.042 0.000 2.298 1196 T HA 0.037 4.387 4.350 0.000 0.000 0.188 1196 T C 1.087 175.802 174.700 0.025 0.000 1.147 1196 T CA 0.867 62.984 62.100 0.027 0.000 2.896 1196 T CB -0.065 68.810 68.868 0.012 0.000 0.898 1196 T HN 0.428 nan 8.240 nan 0.000 0.347 1197 G N 2.521 111.337 108.800 0.028 0.000 2.504 1197 G HA2 0.358 4.318 3.960 0.000 0.000 0.326 1197 G HA3 0.358 4.318 3.960 0.000 0.000 0.326 1197 G C 0.561 175.503 174.900 0.070 0.000 1.073 1197 G CA -0.807 44.319 45.100 0.044 0.000 1.030 1197 G HN 0.499 nan 8.290 nan 0.000 0.448 1198 D N 1.650 122.077 120.400 0.045 0.000 2.403 1198 D HA -0.135 4.505 4.640 0.000 0.000 0.227 1198 D C 2.458 178.782 176.300 0.040 0.000 0.995 1198 D CA 1.198 55.219 54.000 0.035 0.000 0.928 1198 D CB 0.357 41.158 40.800 0.001 0.000 0.887 1198 D HN 0.515 nan 8.370 nan 0.000 0.529 1199 S N -0.660 115.075 115.700 0.059 0.000 2.603 1199 S HA -0.025 4.445 4.470 0.000 0.000 0.220 1199 S C 0.532 175.169 174.600 0.061 0.000 0.967 1199 S CA -0.629 57.597 58.200 0.043 0.000 0.920 1199 S CB -0.458 62.763 63.200 0.036 0.000 0.773 1199 S HN 0.158 nan 8.310 nan 0.000 0.529 1200 F N 3.538 123.461 119.950 -0.045 0.000 2.420 1200 F HA 0.527 5.054 4.527 0.000 0.000 0.352 1200 F C -0.229 175.538 175.800 -0.055 0.000 1.108 1200 F CA -0.777 57.192 58.000 -0.053 0.000 1.162 1200 F CB 1.230 40.197 39.000 -0.055 0.000 1.118 1200 F HN 0.112 nan 8.300 nan 0.000 0.510 1201 V N 4.316 123.882 119.914 -0.580 0.000 2.876 1201 V HA 0.663 4.783 4.120 0.000 0.000 0.312 1201 V C -1.059 174.634 176.094 -0.668 0.000 1.085 1201 V CA -1.054 60.996 62.300 -0.416 0.000 0.945 1201 V CB 1.197 32.849 31.823 -0.286 0.000 1.017 1201 V HN 0.506 nan 8.190 nan 0.000 0.428 1202 V N 3.003 122.726 119.914 -0.318 0.000 2.432 1202 V HA 0.719 4.839 4.120 0.000 0.000 0.275 1202 V C 0.898 176.840 176.094 -0.254 0.000 1.043 1202 V CA 0.271 62.429 62.300 -0.237 0.000 0.925 1202 V CB 1.160 32.981 31.823 -0.003 0.000 0.985 1202 V HN 1.325 nan 8.190 nan 0.000 0.466 1203 A N 4.096 126.748 122.820 -0.280 0.000 2.328 1203 A HA 0.775 5.095 4.320 0.000 0.000 0.284 1203 A C 0.478 177.814 177.584 -0.412 0.000 1.160 1203 A CA 0.117 51.967 52.037 -0.311 0.000 0.818 1203 A CB 0.656 19.519 19.000 -0.228 0.000 1.087 1203 A HN 1.056 nan 8.150 nan 0.000 0.504 1204 G N 1.131 109.463 108.800 -0.781 0.000 2.482 1204 G HA2 0.626 4.586 3.960 0.000 0.000 0.317 1204 G HA3 0.626 4.586 3.960 0.000 0.000 0.317 1204 G C -0.720 173.646 174.900 -0.890 0.000 1.241 1204 G CA -0.687 43.598 45.100 -1.358 0.000 0.967 1204 G HN 0.745 nan 8.290 nan 0.000 0.482 1205 R N -0.147 120.125 120.500 -0.380 0.000 2.621 1205 R HA 0.600 4.940 4.340 0.000 0.000 0.284 1205 R C -1.129 175.215 176.300 0.073 0.000 0.998 1205 R CA -0.498 55.544 56.100 -0.097 0.000 0.895 1205 R CB 2.753 33.004 30.300 -0.081 0.000 1.195 1205 R HN 0.416 nan 8.270 nan 0.000 0.450 1206 V N 4.330 124.270 119.914 0.043 0.000 2.495 1206 V HA 0.607 4.727 4.120 0.000 0.000 0.298 1206 V C -0.243 175.844 176.094 -0.012 0.000 1.031 1206 V CA -0.623 61.669 62.300 -0.012 0.000 0.871 1206 V CB 1.738 33.436 31.823 -0.207 0.000 0.988 1206 V HN 0.673 nan 8.190 nan 0.000 0.432 1207 M N 3.963 123.573 119.600 0.017 0.000 2.501 1207 M HA 0.745 5.226 4.480 0.000 0.000 0.293 1207 M C -0.518 175.900 176.300 0.197 0.000 1.192 1207 M CA -0.450 54.901 55.300 0.084 0.000 0.886 1207 M CB 2.762 35.415 32.600 0.088 0.000 1.710 1207 M HN 0.772 nan 8.290 nan 0.000 0.457 1208 T N -1.254 113.442 114.554 0.237 0.000 2.841 1208 T HA 0.862 5.212 4.350 0.000 0.000 0.296 1208 T C -0.848 173.887 174.700 0.059 0.000 1.166 1208 T CA -0.840 61.396 62.100 0.226 0.000 1.007 1208 T CB 1.966 70.862 68.868 0.047 0.000 1.253 1208 T HN 1.173 nan 8.240 nan 0.000 0.511 1209 C N -0.329 118.881 119.300 -0.150 0.000 3.241 1209 C HA 0.840 5.300 4.460 0.000 0.000 0.348 1209 C C -3.156 171.665 174.990 -0.282 0.000 1.180 1209 C CA -1.617 57.210 59.018 -0.318 0.000 1.273 1209 C CB 1.427 28.759 27.740 -0.679 0.000 1.620 1209 C HN 0.891 nan 8.230 nan 0.000 0.510 1210 P HA 0.249 nan 4.420 nan 0.000 0.280 1210 P C 0.001 177.224 177.300 -0.128 0.000 1.244 1210 P CA 0.668 63.603 63.100 -0.275 0.000 0.784 1210 P CB 1.442 32.846 31.700 -0.494 0.000 0.913 1211 S N 3.718 119.407 115.700 -0.019 0.000 2.576 1211 S HA 0.161 4.631 4.470 0.000 0.000 0.276 1211 S C -1.059 173.566 174.600 0.042 0.000 1.339 1211 S CA -1.571 56.637 58.200 0.013 0.000 1.039 1211 S CB -0.196 63.039 63.200 0.060 0.000 0.902 1211 S HN 0.360 nan 8.310 nan 0.000 0.516 1212 P HA -0.110 nan 4.420 nan 0.000 0.227 1212 P C 0.235 177.555 177.300 0.035 0.000 1.145 1212 P CA 0.928 64.034 63.100 0.009 0.000 0.769 1212 P CB 0.006 31.694 31.700 -0.020 0.000 0.769 1213 D N -1.020 119.414 120.400 0.058 0.000 2.277 1213 D HA -0.044 4.596 4.640 0.000 0.000 0.208 1213 D C 0.689 177.013 176.300 0.040 0.000 0.962 1213 D CA 0.146 54.169 54.000 0.039 0.000 0.865 1213 D CB -0.352 40.472 40.800 0.040 0.000 0.939 1213 D HN 0.206 nan 8.370 nan 0.000 0.510 1214 F N 2.128 122.053 119.950 -0.042 0.000 2.572 1214 F HA 0.039 4.566 4.527 0.000 0.000 0.370 1214 F C 0.631 176.367 175.800 -0.107 0.000 1.103 1214 F CA 0.545 58.504 58.000 -0.069 0.000 1.286 1214 F CB 0.371 39.305 39.000 -0.109 0.000 1.105 1214 F HN -0.269 nan 8.300 nan 0.000 0.583 1215 N N 5.257 123.704 118.700 -0.422 0.000 2.371 1215 N HA 0.242 4.982 4.740 0.000 0.000 0.280 1215 N C -1.353 173.920 175.510 -0.394 0.000 1.084 1215 N CA -0.512 52.389 53.050 -0.247 0.000 0.892 1215 N CB 1.600 39.979 38.487 -0.180 0.000 1.653 1215 N HN 0.357 nan 8.380 nan 0.000 0.480 1216 F N 1.022 120.855 119.950 -0.195 0.000 2.370 1216 F HA 0.415 4.942 4.527 0.000 0.000 0.319 1216 F C 1.515 177.163 175.800 -0.253 0.000 1.129 1216 F CA -0.406 57.434 58.000 -0.266 0.000 1.109 1216 F CB 1.161 39.658 39.000 -0.837 0.000 1.262 1216 F HN 0.267 nan 8.300 nan 0.000 0.534 1217 L N -0.084 121.227 121.223 0.147 0.000 3.058 1217 L HA 0.260 4.600 4.340 0.000 0.000 0.179 1217 L C -0.390 176.602 176.870 0.203 0.000 1.400 1217 L CA -0.330 54.548 54.840 0.063 0.000 1.241 1217 L CB -0.101 41.911 42.059 -0.078 0.000 1.515 1217 L HN 0.342 nan 8.230 nan 0.000 0.724 1218 F N 1.288 121.332 119.950 0.156 0.000 2.410 1218 F HA 0.305 4.833 4.527 0.000 0.000 0.348 1218 F C 0.122 176.071 175.800 0.248 0.000 1.106 1218 F CA -0.458 57.639 58.000 0.162 0.000 1.163 1218 F CB 0.870 39.925 39.000 0.092 0.000 1.129 1218 F HN -0.011 nan 8.300 nan 0.000 0.516 1219 L N 5.930 127.391 121.223 0.397 0.000 2.416 1219 L HA 0.346 4.686 4.340 0.000 0.000 0.272 1219 L C -0.651 176.374 176.870 0.259 0.000 1.161 1219 L CA -0.121 54.819 54.840 0.165 0.000 0.845 1219 L CB 0.942 43.008 42.059 0.011 0.000 1.119 1219 L HN 0.373 nan 8.230 nan 0.000 0.464 1220 V N 4.498 124.431 119.914 0.031 0.000 2.971 1220 V HA 0.383 4.503 4.120 0.000 0.000 0.309 1220 V C -2.230 173.831 176.094 -0.056 0.000 1.130 1220 V CA -1.438 60.880 62.300 0.031 0.000 0.964 1220 V CB 2.725 34.576 31.823 0.046 0.000 1.029 1220 V HN 0.638 nan 8.190 nan 0.000 0.427 1221 P HA 0.120 nan 4.420 nan 0.000 0.261 1221 P C -2.748 174.510 177.300 -0.070 0.000 1.183 1221 P CA -0.806 62.263 63.100 -0.052 0.000 0.761 1221 P CB -0.281 31.401 31.700 -0.030 0.000 0.785 1222 P HA -0.089 nan 4.420 nan 0.000 0.265 1222 P C 0.980 178.237 177.300 -0.073 0.000 1.187 1222 P CA 1.207 64.242 63.100 -0.109 0.000 0.766 1222 P CB -0.124 31.506 31.700 -0.117 0.000 0.820 1223 T N -2.089 112.422 114.554 -0.071 0.000 8.413 1223 T HA -0.257 4.093 4.350 0.000 0.000 0.334 1223 T C 0.987 175.672 174.700 -0.025 0.000 1.928 1223 T CA 1.384 63.459 62.100 -0.042 0.000 2.815 1223 T CB -2.574 66.272 68.868 -0.036 0.000 2.611 1223 T HN 0.111 nan 8.240 nan 0.000 1.239 1224 V N 0.817 120.716 119.914 -0.026 0.000 2.307 1224 V HA 0.013 4.133 4.120 0.000 0.000 0.245 1224 V C 1.624 177.715 176.094 -0.005 0.000 1.045 1224 V CA 1.841 64.131 62.300 -0.017 0.000 1.024 1224 V CB -0.522 31.290 31.823 -0.018 0.000 0.651 1224 V HN 0.718 nan 8.190 nan 0.000 0.449 1225 E N 0.399 120.601 120.200 0.004 0.000 2.384 1225 E HA 0.017 4.367 4.350 0.000 0.000 0.266 1225 E C 0.874 177.488 176.600 0.023 0.000 1.012 1225 E CA -0.035 56.377 56.400 0.020 0.000 0.901 1225 E CB 0.589 30.314 29.700 0.042 0.000 0.967 1225 E HN 0.484 nan 8.360 nan 0.000 0.435 1226 Q N 2.416 122.229 119.800 0.023 0.000 2.212 1226 Q HA -0.083 4.257 4.340 0.000 0.000 0.199 1226 Q C 1.260 177.280 176.000 0.034 0.000 0.950 1226 Q CA 0.727 56.543 55.803 0.023 0.000 0.863 1226 Q CB 0.107 28.854 28.738 0.015 0.000 0.944 1226 Q HN 0.372 nan 8.270 nan 0.000 0.465 1227 K N 0.570 120.995 120.400 0.042 0.000 2.360 1227 K HA -0.112 4.208 4.320 0.000 0.000 0.201 1227 K C 1.692 178.331 176.600 0.066 0.000 1.046 1227 K CA 1.607 57.923 56.287 0.049 0.000 0.940 1227 K CB -0.126 32.414 32.500 0.068 0.000 0.748 1227 K HN 0.277 nan 8.250 nan 0.000 0.465 1228 T N -2.023 112.577 114.554 0.077 0.000 3.054 1228 T HA 0.161 4.511 4.350 0.000 0.000 0.255 1228 T C 0.468 175.221 174.700 0.087 0.000 1.035 1228 T CA -0.504 61.654 62.100 0.096 0.000 0.941 1228 T CB 0.155 69.085 68.868 0.104 0.000 1.026 1228 T HN -0.025 nan 8.240 nan 0.000 0.533 1229 R N 3.101 123.644 120.500 0.071 0.000 2.491 1229 R HA 0.332 4.672 4.340 0.000 0.000 0.283 1229 R C -2.383 173.986 176.300 0.114 0.000 1.072 1229 R CA -1.541 54.603 56.100 0.073 0.000 1.048 1229 R CB 0.243 30.571 30.300 0.047 0.000 0.983 1229 R HN 0.319 nan 8.270 nan 0.000 0.450 1230 P HA 0.012 nan 4.420 nan 0.000 0.277 1230 P C -0.867 176.506 177.300 0.121 0.000 1.240 1230 P CA -0.376 62.821 63.100 0.161 0.000 0.798 1230 P CB 0.606 32.393 31.700 0.144 0.000 0.979 1231 F N 2.143 122.047 119.950 -0.076 0.000 2.456 1231 F HA 0.333 4.860 4.527 0.000 0.000 0.358 1231 F C -0.286 175.342 175.800 -0.287 0.000 1.095 1231 F CA 0.898 58.742 58.000 -0.259 0.000 1.216 1231 F CB 0.389 38.998 39.000 -0.651 0.000 1.125 1231 F HN 0.186 nan 8.300 nan 0.000 0.549 1232 T N 7.138 121.093 114.554 -0.998 0.000 2.933 1232 T HA 0.510 4.860 4.350 0.000 0.000 0.305 1232 T C -0.908 173.249 174.700 -0.904 0.000 1.092 1232 T CA -0.674 61.008 62.100 -0.695 0.000 1.008 1232 T CB 1.516 70.267 68.868 -0.195 0.000 1.102 1232 T HN 0.477 nan 8.240 nan 0.000 0.469 1233 L N 4.042 124.794 121.223 -0.784 0.000 2.346 1233 L HA 0.502 4.842 4.340 0.000 0.000 0.276 1233 L C -1.959 174.453 176.870 -0.763 0.000 1.006 1233 L CA -2.447 51.860 54.840 -0.889 0.000 0.817 1233 L CB 2.075 43.757 42.059 -0.629 0.000 1.272 1233 L HN 0.404 nan 8.230 nan 0.000 0.421 1234 P HA -0.059 nan 4.420 nan 0.000 0.262 1234 P C -0.760 176.406 177.300 -0.223 0.000 1.182 1234 P CA -0.107 62.701 63.100 -0.485 0.000 0.761 1234 P CB 0.503 31.999 31.700 -0.341 0.000 0.795 1235 N N 3.744 122.367 118.700 -0.127 0.000 3.050 1235 N HA 0.185 4.925 4.740 0.000 0.000 0.289 1235 N C -0.970 174.519 175.510 -0.035 0.000 1.209 1235 N CA 0.021 53.028 53.050 -0.071 0.000 1.154 1235 N CB -0.916 37.536 38.487 -0.058 0.000 1.444 1235 N HN 0.332 nan 8.380 nan 0.000 0.529 1236 L N 2.234 123.454 121.223 -0.006 0.000 2.431 1236 L HA 0.566 4.906 4.340 0.000 0.000 0.266 1236 L C -2.208 174.673 176.870 0.017 0.000 0.978 1236 L CA -2.122 52.724 54.840 0.011 0.000 0.822 1236 L CB 2.593 44.672 42.059 0.034 0.000 1.310 1236 L HN 0.233 nan 8.230 nan 0.000 0.409 1237 P HA 0.002 nan 4.420 nan 0.000 0.268 1237 P C 0.680 177.973 177.300 -0.011 0.000 1.204 1237 P CA -0.398 62.684 63.100 -0.029 0.000 0.768 1237 P CB 1.437 33.114 31.700 -0.038 0.000 0.842 1238 L N 4.049 125.271 121.223 -0.001 0.000 2.051 1238 L HA -0.283 4.057 4.340 0.000 0.000 0.214 1238 L C 2.660 179.514 176.870 -0.026 0.000 1.076 1238 L CA 2.756 57.587 54.840 -0.016 0.000 0.758 1238 L CB -1.471 40.628 42.059 0.067 0.000 0.890 1238 L HN 0.504 nan 8.230 nan 0.000 0.433 1239 S N -1.485 114.217 115.700 0.003 0.000 2.365 1239 S HA -0.242 4.228 4.470 0.000 0.000 0.225 1239 S C 1.926 176.518 174.600 -0.012 0.000 1.039 1239 S CA 1.486 59.688 58.200 0.003 0.000 1.033 1239 S CB -1.285 61.921 63.200 0.010 0.000 0.887 1239 S HN 0.619 nan 8.310 nan 0.000 0.447 1240 S N 1.888 117.578 115.700 -0.016 0.000 2.555 1240 S HA 0.249 4.719 4.470 0.000 0.000 0.230 1240 S C 0.810 175.394 174.600 -0.026 0.000 0.978 1240 S CA 0.000 58.190 58.200 -0.016 0.000 0.934 1240 S CB -0.790 62.403 63.200 -0.011 0.000 0.766 1240 S HN 0.489 nan 8.310 nan 0.000 0.533 1241 L N 1.643 122.835 121.223 -0.050 0.000 2.488 1241 L HA 0.545 4.885 4.340 0.000 0.000 0.249 1241 L C 0.704 177.529 176.870 -0.076 0.000 1.151 1241 L CA -0.754 54.039 54.840 -0.079 0.000 0.806 1241 L CB 0.666 42.625 42.059 -0.167 0.000 1.261 1241 L HN 0.284 nan 8.230 nan 0.000 0.484 1242 S N -1.212 114.438 115.700 -0.083 0.000 2.715 1242 S HA 0.405 4.875 4.470 0.000 0.000 0.307 1242 S C -0.649 173.908 174.600 -0.072 0.000 1.119 1242 S CA -0.927 57.237 58.200 -0.061 0.000 0.937 1242 S CB 1.866 65.043 63.200 -0.037 0.000 1.150 1242 S HN 0.581 nan 8.310 nan 0.000 0.521 1243 N N 0.091 118.765 118.700 -0.044 0.000 2.513 1243 N HA 0.246 4.986 4.740 0.000 0.000 0.274 1243 N C 0.801 176.294 175.510 -0.028 0.000 1.189 1243 N CA 0.140 53.173 53.050 -0.028 0.000 0.975 1243 N CB 1.555 40.020 38.487 -0.037 0.000 1.157 1243 N HN 0.760 nan 8.380 nan 0.000 0.465 1244 S N 1.825 117.522 115.700 -0.006 0.000 2.556 1244 S HA 0.238 4.708 4.470 0.000 0.000 0.216 1244 S C 1.074 175.657 174.600 -0.027 0.000 0.970 1244 S CA -0.116 58.088 58.200 0.007 0.000 0.912 1244 S CB 0.323 63.559 63.200 0.061 0.000 0.790 1244 S HN 0.612 nan 8.310 nan 0.000 0.504 1245 R N 0.724 121.170 120.500 -0.089 0.000 2.344 1245 R HA 0.567 4.907 4.340 0.000 0.000 0.209 1245 R C 0.132 176.316 176.300 -0.194 0.000 0.886 1245 R CA 0.611 56.610 56.100 -0.169 0.000 1.040 1245 R CB 0.829 30.955 30.300 -0.289 0.000 1.114 1245 R HN 0.397 nan 8.270 nan 0.000 0.547 1246 A N 1.528 124.257 122.820 -0.152 0.000 2.577 1246 A HA 0.352 4.672 4.320 0.000 0.000 0.297 1246 A C -2.709 174.816 177.584 -0.098 0.000 1.060 1246 A CA -1.371 50.575 52.037 -0.152 0.000 0.697 1246 A CB 1.284 20.172 19.000 -0.186 0.000 1.281 1246 A HN -0.144 nan 8.150 nan 0.000 0.402 1247 P HA 0.239 nan 4.420 nan 0.000 0.245 1247 P C -0.972 176.298 177.300 -0.049 0.000 1.670 1247 P CA 0.706 63.775 63.100 -0.051 0.000 1.146 1247 P CB -0.568 31.107 31.700 -0.042 0.000 1.954 1248 L N 4.009 125.202 121.223 -0.050 0.000 2.410 1248 L HA 0.482 4.822 4.340 0.000 0.000 0.270 1248 L C -2.234 174.617 176.870 -0.031 0.000 0.983 1248 L CA -2.892 51.922 54.840 -0.042 0.000 0.822 1248 L CB 3.041 45.069 42.059 -0.052 0.000 1.285 1248 L HN -0.047 nan 8.230 nan 0.000 0.409 1249 P HA 0.062 nan 4.420 nan 0.000 0.268 1249 P C -0.572 176.723 177.300 -0.008 0.000 1.205 1249 P CA -0.234 62.855 63.100 -0.018 0.000 0.771 1249 P CB 0.777 32.469 31.700 -0.013 0.000 0.858 1250 I N 2.615 123.180 120.570 -0.008 0.000 2.648 1250 I HA -0.047 4.123 4.170 0.000 0.000 0.284 1250 I C 1.695 177.834 176.117 0.037 0.000 1.153 1250 I CA 0.672 61.987 61.300 0.024 0.000 1.426 1250 I CB 0.165 38.174 38.000 0.015 0.000 1.381 1250 I HN 0.493 nan 8.210 nan 0.000 0.571 1251 S N 2.665 118.399 115.700 0.056 0.000 2.575 1251 S HA 0.234 4.704 4.470 0.000 0.000 0.230 1251 S C 0.411 175.056 174.600 0.074 0.000 1.062 1251 S CA 0.137 58.369 58.200 0.053 0.000 0.913 1251 S CB 0.444 63.666 63.200 0.038 0.000 0.837 1251 S HN 0.765 nan 8.310 nan 0.000 0.487 1252 S N 0.142 115.903 115.700 0.102 0.000 2.611 1252 S HA 0.608 5.078 4.470 0.000 0.000 0.270 1252 S C -1.294 173.396 174.600 0.150 0.000 1.131 1252 S CA -1.047 57.222 58.200 0.115 0.000 0.826 1252 S CB 0.667 63.922 63.200 0.092 0.000 1.095 1252 S HN 0.213 nan 8.310 nan 0.000 0.461 1253 M N 1.130 120.811 119.600 0.134 0.000 2.367 1253 M HA 0.701 5.181 4.480 0.000 0.000 0.339 1253 M C 0.512 176.888 176.300 0.127 0.000 1.177 1253 M CA -0.162 55.203 55.300 0.109 0.000 1.068 1253 M CB 1.813 34.447 32.600 0.056 0.000 1.602 1253 M HN 1.081 nan 8.290 nan 0.000 0.457 1254 G N 1.880 110.781 108.800 0.167 0.000 2.766 1254 G HA2 0.822 4.782 3.960 0.000 0.000 0.288 1254 G HA3 0.822 4.782 3.960 0.000 0.000 0.288 1254 G C -1.622 173.488 174.900 0.349 0.000 1.408 1254 G CA -0.642 44.604 45.100 0.243 0.000 0.852 1254 G HN 0.652 nan 8.290 nan 0.000 0.487 1255 I N 0.652 121.421 120.570 0.331 0.000 2.689 1255 I HA 0.334 4.504 4.170 0.000 0.000 0.299 1255 I C 0.536 176.772 176.117 0.199 0.000 1.059 1255 I CA -0.899 60.589 61.300 0.313 0.000 1.055 1255 I CB 2.485 40.580 38.000 0.158 0.000 1.243 1255 I HN 0.606 nan 8.210 nan 0.000 0.425 1256 S N 4.137 119.870 115.700 0.055 0.000 2.572 1256 S HA 0.345 4.815 4.470 0.000 0.000 0.279 1256 S C -2.524 171.836 174.600 -0.400 0.000 1.341 1256 S CA -1.052 56.785 58.200 -0.605 0.000 1.043 1256 S CB 0.188 63.101 63.200 -0.478 0.000 0.887 1256 S HN 0.285 nan 8.310 nan 0.000 0.516 1257 P HA 0.179 nan 4.420 nan 0.000 0.269 1257 P C 0.177 177.354 177.300 -0.205 0.000 1.215 1257 P CA -0.256 62.686 63.100 -0.264 0.000 0.780 1257 P CB 0.313 31.853 31.700 -0.267 0.000 0.898 1258 D N 0.614 120.948 120.400 -0.111 0.000 2.254 1258 D HA -0.234 4.406 4.640 0.000 0.000 0.201 1258 D C 1.482 177.729 176.300 -0.089 0.000 0.998 1258 D CA 1.283 55.237 54.000 -0.077 0.000 0.885 1258 D CB -0.555 40.219 40.800 -0.044 0.000 0.915 1258 D HN 0.543 nan 8.370 nan 0.000 0.460 1259 N N 0.475 119.107 118.700 -0.114 0.000 2.135 1259 N HA -0.116 4.624 4.740 0.000 0.000 0.186 1259 N C 0.255 175.684 175.510 -0.135 0.000 1.027 1259 N CA 0.447 53.434 53.050 -0.106 0.000 0.849 1259 N CB 0.307 38.738 38.487 -0.094 0.000 1.002 1259 N HN -0.050 nan 8.380 nan 0.000 0.425 1260 V N 1.613 121.391 119.914 -0.226 0.000 2.637 1260 V HA 0.055 4.175 4.120 0.000 0.000 0.296 1260 V C 0.699 176.688 176.094 -0.175 0.000 1.046 1260 V CA 0.250 62.399 62.300 -0.251 0.000 1.066 1260 V CB 1.504 33.018 31.823 -0.516 0.000 0.968 1260 V HN 0.391 nan 8.190 nan 0.000 0.483 1261 Q N 1.687 121.424 119.800 -0.106 0.000 2.379 1261 Q HA 0.166 4.506 4.340 0.000 0.000 0.184 1261 Q C 0.480 176.470 176.000 -0.017 0.000 0.663 1261 Q CA 0.125 55.897 55.803 -0.051 0.000 0.870 1261 Q CB 0.539 29.246 28.738 -0.052 0.000 1.238 1261 Q HN 0.826 nan 8.270 nan 0.000 0.475 1262 S N 0.698 116.381 115.700 -0.028 0.000 2.562 1262 S HA 0.635 5.105 4.470 0.000 0.000 0.275 1262 S C -0.156 174.424 174.600 -0.032 0.000 1.281 1262 S CA -0.633 57.562 58.200 -0.008 0.000 1.045 1262 S CB 1.674 64.863 63.200 -0.018 0.000 0.962 1262 S HN 0.074 nan 8.310 nan 0.000 0.503 1263 V N 2.030 121.894 119.914 -0.083 0.000 3.001 1263 V HA 0.541 4.661 4.120 0.000 0.000 0.314 1263 V C -0.208 175.774 176.094 -0.186 0.000 1.099 1263 V CA -0.711 61.482 62.300 -0.177 0.000 0.989 1263 V CB 2.060 33.674 31.823 -0.349 0.000 1.040 1263 V HN 1.007 nan 8.190 nan 0.000 0.434 1264 Q N 1.592 121.301 119.800 -0.152 0.000 2.706 1264 Q HA 0.391 4.731 4.340 0.000 0.000 0.335 1264 Q C -0.868 175.237 176.000 0.174 0.000 0.796 1264 Q CA -0.148 55.653 55.803 -0.004 0.000 1.046 1264 Q CB 0.755 29.533 28.738 0.066 0.000 1.448 1264 Q HN 0.716 nan 8.270 nan 0.000 0.385 1265 F N 0.432 120.459 119.950 0.129 0.000 2.539 1265 F HA -0.021 4.506 4.527 0.000 0.000 0.340 1265 F C 1.664 177.533 175.800 0.115 0.000 1.185 1265 F CA -0.012 58.064 58.000 0.127 0.000 1.333 1265 F CB 0.752 39.829 39.000 0.128 0.000 1.152 1265 F HN 0.244 nan 8.300 nan 0.000 0.602 1266 Q N 0.325 120.320 119.800 0.325 0.000 2.316 1266 Q HA 0.176 4.516 4.340 0.000 0.000 0.235 1266 Q C -0.362 175.739 176.000 0.168 0.000 0.863 1266 Q CA 0.326 56.252 55.803 0.205 0.000 0.939 1266 Q CB 0.307 29.152 28.738 0.178 0.000 1.108 1266 Q HN 0.540 nan 8.270 nan 0.000 0.522 1267 N N -0.120 118.675 118.700 0.159 0.000 2.443 1267 N HA 0.377 5.117 4.740 0.000 0.000 0.293 1267 N C 0.301 175.891 175.510 0.135 0.000 1.159 1267 N CA 0.458 53.572 53.050 0.106 0.000 0.904 1267 N CB 1.557 40.064 38.487 0.033 0.000 1.214 1267 N HN 0.171 nan 8.380 nan 0.000 0.513 1268 G N 0.881 109.751 108.800 0.117 0.000 2.246 1268 G HA2 -0.284 3.676 3.960 0.000 0.000 0.273 1268 G HA3 -0.284 3.676 3.960 0.000 0.000 0.273 1268 G C -0.158 174.862 174.900 0.201 0.000 1.055 1268 G CA 0.086 45.274 45.100 0.147 0.000 0.851 1268 G HN 0.523 nan 8.290 nan 0.000 0.500 1269 R N -0.767 119.838 120.500 0.175 0.000 2.451 1269 R HA 0.613 4.953 4.340 0.000 0.000 0.307 1269 R C -0.725 175.665 176.300 0.150 0.000 0.965 1269 R CA -0.216 55.992 56.100 0.179 0.000 0.865 1269 R CB 1.705 32.105 30.300 0.168 0.000 1.174 1269 R HN 0.458 nan 8.270 nan 0.000 0.455 1270 C N 2.225 121.620 119.300 0.159 0.000 2.985 1270 C HA 0.512 4.972 4.460 0.000 0.000 0.332 1270 C C 0.087 175.160 174.990 0.139 0.000 1.164 1270 C CA -0.313 58.788 59.018 0.138 0.000 1.347 1270 C CB 1.732 29.554 27.740 0.137 0.000 1.764 1270 C HN 0.950 nan 8.230 nan 0.000 0.489 1271 T N 4.524 119.146 114.554 0.113 0.000 2.828 1271 T HA 0.302 4.652 4.350 0.000 0.000 0.290 1271 T C 1.353 176.113 174.700 0.099 0.000 1.019 1271 T CA -0.656 61.501 62.100 0.094 0.000 1.031 1271 T CB 0.625 69.534 68.868 0.068 0.000 1.001 1271 T HN 0.653 nan 8.240 nan 0.000 0.531 1272 L N 0.295 121.558 121.223 0.068 0.000 2.465 1272 L HA -0.023 4.317 4.340 0.000 0.000 0.224 1272 L C 1.709 178.655 176.870 0.126 0.000 1.145 1272 L CA 0.725 55.623 54.840 0.097 0.000 0.834 1272 L CB -0.492 41.520 42.059 -0.079 0.000 0.944 1272 L HN 0.618 nan 8.230 nan 0.000 0.451 1273 D N 0.612 121.053 120.400 0.068 0.000 2.224 1273 D HA -0.030 4.610 4.640 0.000 0.000 0.205 1273 D C 1.685 178.028 176.300 0.072 0.000 0.965 1273 D CA 1.307 55.340 54.000 0.056 0.000 0.852 1273 D CB 0.257 41.072 40.800 0.024 0.000 0.947 1273 D HN 0.382 nan 8.370 nan 0.000 0.494 1274 G N 0.861 109.711 108.800 0.084 0.000 2.138 1274 G HA2 -0.242 3.718 3.960 0.000 0.000 0.193 1274 G HA3 -0.242 3.718 3.960 0.000 0.000 0.193 1274 G C 0.049 174.985 174.900 0.060 0.000 0.998 1274 G CA -0.562 44.583 45.100 0.076 0.000 0.668 1274 G HN 0.227 nan 8.290 nan 0.000 0.516 1275 R N 0.125 120.662 120.500 0.063 0.000 2.221 1275 R HA 0.566 4.906 4.340 0.000 0.000 0.327 1275 R C 0.697 177.041 176.300 0.074 0.000 1.033 1275 R CA -0.555 55.580 56.100 0.059 0.000 0.887 1275 R CB 0.944 31.276 30.300 0.054 0.000 1.057 1275 R HN 0.263 nan 8.270 nan 0.000 0.455 1276 L N 3.434 124.699 121.223 0.069 0.000 2.397 1276 L HA 0.298 4.638 4.340 0.000 0.000 0.271 1276 L C 0.009 176.935 176.870 0.094 0.000 1.148 1276 L CA -0.389 54.498 54.840 0.078 0.000 0.825 1276 L CB 0.816 42.912 42.059 0.062 0.000 1.117 1276 L HN 0.293 nan 8.230 nan 0.000 0.456 1277 V N 0.821 120.799 119.914 0.106 0.000 3.074 1277 V HA 0.806 4.926 4.120 0.000 0.000 0.314 1277 V C 0.711 176.876 176.094 0.118 0.000 1.117 1277 V CA 0.033 62.406 62.300 0.121 0.000 1.014 1277 V CB 1.129 33.019 31.823 0.111 0.000 1.057 1277 V HN 1.033 nan 8.190 nan 0.000 0.438 1278 G N 2.541 111.414 108.800 0.122 0.000 2.596 1278 G HA2 -0.312 3.648 3.960 0.000 0.000 0.304 1278 G HA3 -0.312 3.648 3.960 0.000 0.000 0.304 1278 G C 0.717 175.680 174.900 0.104 0.000 1.189 1278 G CA 1.098 46.255 45.100 0.095 0.000 0.986 1278 G HN 1.786 nan 8.290 nan 0.000 0.548 1279 T N -1.954 112.656 114.554 0.094 0.000 3.182 1279 T HA 0.501 4.851 4.350 0.000 0.000 0.277 1279 T C 0.639 175.394 174.700 0.092 0.000 1.013 1279 T CA 1.044 63.200 62.100 0.095 0.000 0.900 1279 T CB 0.220 69.153 68.868 0.108 0.000 1.098 1279 T HN 0.788 nan 8.240 nan 0.000 0.543 1280 T N 5.762 120.370 114.554 0.091 0.000 2.853 1280 T HA 0.340 4.690 4.350 0.000 0.000 0.298 1280 T C -2.195 172.537 174.700 0.053 0.000 0.978 1280 T CA -0.614 61.533 62.100 0.079 0.000 1.152 1280 T CB 0.915 69.838 68.868 0.093 0.000 0.914 1280 T HN 0.333 nan 8.240 nan 0.000 0.539 1281 P HA 0.401 nan 4.420 nan 0.000 0.286 1281 P C 0.566 177.848 177.300 -0.031 0.000 1.292 1281 P CA -0.677 62.404 63.100 -0.031 0.000 0.842 1281 P CB 1.410 33.091 31.700 -0.031 0.000 1.207 1282 V N -0.860 119.000 119.914 -0.089 0.000 2.379 1282 V HA -0.028 4.092 4.120 0.000 0.000 0.243 1282 V C 1.577 177.666 176.094 -0.009 0.000 1.035 1282 V CA 1.615 63.892 62.300 -0.039 0.000 1.035 1282 V CB -0.543 31.249 31.823 -0.053 0.000 0.673 1282 V HN 0.626 nan 8.190 nan 0.000 0.457 1283 S N -1.072 114.616 115.700 -0.019 0.000 2.651 1283 S HA 0.408 4.878 4.470 0.000 0.000 0.291 1283 S C 0.733 175.399 174.600 0.109 0.000 1.141 1283 S CA -0.623 57.614 58.200 0.063 0.000 1.027 1283 S CB 1.390 64.654 63.200 0.107 0.000 1.043 1283 S HN 0.282 nan 8.310 nan 0.000 0.530 1284 L N 2.894 124.169 121.223 0.086 0.000 2.191 1284 L HA -0.064 4.276 4.340 0.000 0.000 0.212 1284 L C 2.348 179.271 176.870 0.087 0.000 1.103 1284 L CA 1.489 56.368 54.840 0.066 0.000 0.769 1284 L CB -0.533 41.546 42.059 0.033 0.000 0.908 1284 L HN 0.909 nan 8.230 nan 0.000 0.438 1285 S N -2.229 113.548 115.700 0.128 0.000 2.584 1285 S HA -0.192 4.278 4.470 0.000 0.000 0.240 1285 S C 1.170 175.771 174.600 0.002 0.000 0.975 1285 S CA 0.928 59.173 58.200 0.075 0.000 0.949 1285 S CB -0.454 62.791 63.200 0.076 0.000 0.761 1285 S HN 0.559 nan 8.310 nan 0.000 0.536 1286 H N -0.620 118.460 119.070 0.015 0.000 2.986 1286 H HA 0.460 5.016 4.556 0.000 0.000 0.267 1286 H C -0.081 175.246 175.328 -0.002 0.000 1.072 1286 H CA -0.322 55.737 56.048 0.018 0.000 1.202 1286 H CB 0.501 30.280 29.762 0.030 0.000 1.535 1286 H HN 0.210 nan 8.280 nan 0.000 0.522 1287 V N 1.424 121.391 119.914 0.089 0.000 2.508 1287 V HA 0.331 4.451 4.120 0.000 0.000 0.281 1287 V C 0.862 176.919 176.094 -0.063 0.000 1.041 1287 V CA 0.254 62.560 62.300 0.009 0.000 1.016 1287 V CB 0.449 32.270 31.823 -0.005 0.000 0.984 1287 V HN 0.624 nan 8.190 nan 0.000 0.478 1288 A N 4.105 126.850 122.820 -0.125 0.000 2.869 1288 A HA -0.195 4.125 4.320 0.000 0.000 0.280 1288 A C 0.282 177.748 177.584 -0.198 0.000 1.458 1288 A CA 1.354 53.249 52.037 -0.237 0.000 0.776 1288 A CB -1.834 17.013 19.000 -0.255 0.000 1.028 1288 A HN 0.779 nan 8.150 nan 0.000 0.547 1289 K N -0.819 119.507 120.400 -0.122 0.000 2.443 1289 K HA 0.883 5.203 4.320 0.000 0.000 0.251 1289 K C -0.190 176.409 176.600 -0.001 0.000 0.972 1289 K CA -0.281 55.968 56.287 -0.063 0.000 0.833 1289 K CB 2.346 34.823 32.500 -0.037 0.000 1.317 1289 K HN 0.942 nan 8.250 nan 0.000 0.441 1290 I N -2.145 118.454 120.570 0.048 0.000 2.827 1290 I HA 0.607 4.777 4.170 0.000 0.000 0.298 1290 I C -1.431 174.747 176.117 0.101 0.000 1.235 1290 I CA -0.937 60.443 61.300 0.134 0.000 1.021 1290 I CB 2.529 40.678 38.000 0.248 0.000 1.259 1290 I HN 0.540 nan 8.210 nan 0.000 0.427 1291 R N 3.214 123.770 120.500 0.093 0.000 2.673 1291 R HA 0.878 5.218 4.340 0.000 0.000 0.281 1291 R C -0.950 175.390 176.300 0.067 0.000 0.991 1291 R CA -0.414 55.729 56.100 0.070 0.000 0.896 1291 R CB 2.439 32.772 30.300 0.055 0.000 1.201 1291 R HN 1.183 nan 8.270 nan 0.000 0.457 1292 G N 0.474 109.315 108.800 0.068 0.000 2.356 1292 G HA2 0.213 4.173 3.960 0.000 0.000 0.294 1292 G HA3 0.213 4.173 3.960 0.000 0.000 0.294 1292 G C -1.492 173.443 174.900 0.058 0.000 1.423 1292 G CA -0.658 44.474 45.100 0.053 0.000 0.806 1292 G HN 0.497 nan 8.290 nan 0.000 0.527 1293 T N -1.328 113.248 114.554 0.037 0.000 2.770 1293 T HA 0.613 4.963 4.350 0.000 0.000 0.297 1293 T C 0.333 175.055 174.700 0.036 0.000 0.997 1293 T CA -0.324 61.793 62.100 0.029 0.000 0.949 1293 T CB 1.424 70.295 68.868 0.006 0.000 0.941 1293 T HN 0.863 nan 8.240 nan 0.000 0.457 1294 S N 2.249 117.995 115.700 0.077 0.000 2.531 1294 S HA 0.160 4.630 4.470 0.000 0.000 0.279 1294 S C 0.975 175.585 174.600 0.017 0.000 1.305 1294 S CA -0.597 57.625 58.200 0.036 0.000 1.058 1294 S CB 0.050 63.285 63.200 0.058 0.000 0.899 1294 S HN 0.775 nan 8.310 nan 0.000 0.493 1295 N N 3.097 121.792 118.700 -0.008 0.000 2.235 1295 N HA 0.198 4.938 4.740 0.000 0.000 0.209 1295 N C 1.195 176.697 175.510 -0.013 0.000 1.122 1295 N CA 0.848 53.894 53.050 -0.007 0.000 0.845 1295 N CB -0.201 38.282 38.487 -0.007 0.000 1.004 1295 N HN 0.924 nan 8.380 nan 0.000 0.499 1296 G N -0.835 107.951 108.800 -0.023 0.000 2.245 1296 G HA2 -0.383 3.577 3.960 0.000 0.000 0.264 1296 G HA3 -0.383 3.577 3.960 0.000 0.000 0.264 1296 G C 0.969 175.845 174.900 -0.040 0.000 0.985 1296 G CA 1.440 46.521 45.100 -0.032 0.000 0.625 1296 G HN 0.576 nan 8.290 nan 0.000 0.536 1297 T N -4.188 110.345 114.554 -0.035 0.000 3.250 1297 T HA 0.568 4.918 4.350 0.000 0.000 0.265 1297 T C 0.409 175.092 174.700 -0.027 0.000 0.973 1297 T CA 0.787 62.871 62.100 -0.027 0.000 1.040 1297 T CB 0.988 69.848 68.868 -0.013 0.000 1.167 1297 T HN 0.911 nan 8.240 nan 0.000 0.471 1298 V N 1.998 121.896 119.914 -0.025 0.000 2.789 1298 V HA 0.564 4.684 4.120 0.000 0.000 0.311 1298 V C -1.058 175.018 176.094 -0.030 0.000 1.073 1298 V CA -1.159 61.130 62.300 -0.018 0.000 0.921 1298 V CB 2.235 34.056 31.823 -0.004 0.000 1.009 1298 V HN 0.416 nan 8.190 nan 0.000 0.426 1299 I N 3.900 124.451 120.570 -0.032 0.000 2.339 1299 I HA 0.381 4.551 4.170 0.000 0.000 0.290 1299 I C -0.141 175.973 176.117 -0.005 0.000 0.994 1299 I CA -0.428 60.855 61.300 -0.029 0.000 1.191 1299 I CB 1.136 39.102 38.000 -0.057 0.000 1.343 1299 I HN 0.555 nan 8.210 nan 0.000 0.458 1300 N N 7.845 126.546 118.700 0.002 0.000 2.408 1300 N HA 0.372 5.112 4.740 0.000 0.000 0.257 1300 N C -0.510 175.005 175.510 0.008 0.000 1.064 1300 N CA -0.325 52.728 53.050 0.004 0.000 0.952 1300 N CB 1.672 40.164 38.487 0.007 0.000 1.093 1300 N HN 0.412 nan 8.380 nan 0.000 0.490 1301 L N 1.644 122.863 121.223 -0.006 0.000 2.418 1301 L HA 0.383 4.723 4.340 0.000 0.000 0.265 1301 L C 1.037 177.913 176.870 0.009 0.000 1.143 1301 L CA -0.188 54.641 54.840 -0.018 0.000 0.809 1301 L CB 0.855 42.843 42.059 -0.119 0.000 1.124 1301 L HN 0.546 nan 8.230 nan 0.000 0.456 1302 T N -2.384 112.179 114.554 0.014 0.000 2.864 1302 T HA 0.400 4.750 4.350 0.000 0.000 0.299 1302 T C -0.575 174.150 174.700 0.042 0.000 1.166 1302 T CA -1.153 60.970 62.100 0.039 0.000 1.007 1302 T CB 1.892 70.780 68.868 0.034 0.000 1.219 1302 T HN 0.295 nan 8.240 nan 0.000 0.506 1303 E N 0.733 120.974 120.200 0.069 0.000 2.408 1303 E HA 0.170 4.520 4.350 0.000 0.000 0.259 1303 E C 1.345 177.995 176.600 0.082 0.000 1.110 1303 E CA -0.268 56.183 56.400 0.084 0.000 0.929 1303 E CB 0.685 30.450 29.700 0.109 0.000 0.971 1303 E HN 0.641 nan 8.360 nan 0.000 0.438 1304 L N 1.464 122.743 121.223 0.094 0.000 2.189 1304 L HA -0.265 4.075 4.340 0.000 0.000 0.214 1304 L C 1.361 178.277 176.870 0.077 0.000 1.097 1304 L CA 1.147 56.026 54.840 0.064 0.000 0.764 1304 L CB -0.240 41.815 42.059 -0.006 0.000 0.900 1304 L HN 0.399 nan 8.230 nan 0.000 0.436 1305 D N -0.285 120.173 120.400 0.098 0.000 2.144 1305 D HA -0.094 4.546 4.640 0.000 0.000 0.199 1305 D C 1.777 178.125 176.300 0.079 0.000 0.984 1305 D CA 1.517 55.571 54.000 0.090 0.000 0.834 1305 D CB -0.114 40.741 40.800 0.092 0.000 0.955 1305 D HN 0.413 nan 8.370 nan 0.000 0.465 1306 G N -0.754 108.091 108.800 0.075 0.000 2.229 1306 G HA2 -0.206 3.754 3.960 0.000 0.000 0.189 1306 G HA3 -0.206 3.754 3.960 0.000 0.000 0.189 1306 G C 0.466 175.395 174.900 0.049 0.000 1.000 1306 G CA 0.199 45.338 45.100 0.066 0.000 0.663 1306 G HN 0.427 nan 8.290 nan 0.000 0.493 1307 T N 1.515 116.101 114.554 0.052 0.000 2.926 1307 T HA 0.510 4.860 4.350 0.000 0.000 0.307 1307 T C -2.050 172.655 174.700 0.008 0.000 1.059 1307 T CA -0.724 61.400 62.100 0.041 0.000 1.122 1307 T CB 1.679 70.582 68.868 0.059 0.000 0.972 1307 T HN 0.264 nan 8.240 nan 0.000 0.545 1308 P HA 0.141 nan 4.420 nan 0.000 0.271 1308 P C -0.590 176.489 177.300 -0.369 0.000 1.226 1308 P CA -0.487 62.504 63.100 -0.183 0.000 0.765 1308 P CB 0.232 31.802 31.700 -0.216 0.000 0.835 1309 F N 5.084 124.796 119.950 -0.397 0.000 2.418 1309 F HA 0.262 4.789 4.527 0.000 0.000 0.341 1309 F C -0.165 175.246 175.800 -0.648 0.000 1.120 1309 F CA -0.115 57.645 58.000 -0.401 0.000 1.232 1309 F CB 0.518 39.368 39.000 -0.250 0.000 1.175 1309 F HN 0.369 nan 8.300 nan 0.000 0.569 1310 H N 6.168 124.347 119.070 -1.486 0.000 2.658 1310 H HA 0.270 4.826 4.556 0.000 0.000 0.337 1310 H C -1.841 172.374 175.328 -1.853 0.000 1.009 1310 H CA -1.690 53.483 56.048 -1.458 0.000 1.231 1310 H CB 1.491 30.352 29.762 -1.502 0.000 1.508 1310 H HN 0.355 nan 8.280 nan 0.000 0.517 1311 P HA -0.249 nan 4.420 nan 0.000 0.218 1311 P C 1.130 178.186 177.300 -0.407 0.000 1.146 1311 P CA 1.381 64.078 63.100 -0.672 0.000 0.820 1311 P CB 0.006 31.620 31.700 -0.143 0.000 0.778 1312 F N 0.084 119.923 119.950 -0.184 0.000 2.456 1312 F HA 0.190 4.717 4.527 0.000 0.000 0.298 1312 F C 2.260 178.002 175.800 -0.097 0.000 1.104 1312 F CA 0.174 58.129 58.000 -0.076 0.000 1.435 1312 F CB -1.537 37.420 39.000 -0.071 0.000 1.078 1312 F HN -0.115 nan 8.300 nan 0.000 0.546 1313 E N 0.862 120.740 120.200 -0.538 0.000 2.058 1313 E HA 0.145 4.495 4.350 0.000 0.000 0.194 1313 E C 1.288 177.855 176.600 -0.056 0.000 0.997 1313 E CA 1.166 57.398 56.400 -0.281 0.000 0.801 1313 E CB -0.303 29.125 29.700 -0.454 0.000 0.746 1313 E HN 0.570 nan 8.360 nan 0.000 0.450 1314 G N -1.869 106.917 108.800 -0.022 0.000 2.490 1314 G HA2 0.161 4.122 3.960 0.000 0.000 0.308 1314 G HA3 0.161 4.122 3.960 0.000 0.000 0.308 1314 G C -2.531 172.409 174.900 0.066 0.000 1.286 1314 G CA -0.559 44.618 45.100 0.128 0.000 0.825 1314 G HN -0.178 nan 8.290 nan 0.000 0.479 1315 P HA 0.312 nan 4.420 nan 0.000 0.220 1315 P C 0.442 177.641 177.300 -0.169 0.000 1.152 1315 P CA 1.890 64.922 63.100 -0.114 0.000 0.812 1315 P CB 0.444 31.846 31.700 -0.497 0.000 0.792 1316 A N -2.898 119.791 122.820 -0.219 0.000 2.540 1316 A HA 0.576 4.896 4.320 0.000 0.000 0.291 1316 A C -3.051 174.069 177.584 -0.773 0.000 1.083 1316 A CA -1.435 50.234 52.037 -0.613 0.000 0.650 1316 A CB 0.022 18.746 19.000 -0.459 0.000 1.292 1316 A HN -0.297 nan 8.150 nan 0.000 0.435 1317 P HA 0.252 nan 4.420 nan 0.000 0.266 1317 P C -0.481 176.765 177.300 -0.091 0.000 1.195 1317 P CA 0.280 63.028 63.100 -0.587 0.000 0.768 1317 P CB 0.124 31.563 31.700 -0.436 0.000 0.838 1318 I N 2.360 122.949 120.570 0.032 0.000 2.742 1318 I HA 0.044 4.215 4.170 0.000 0.000 0.287 1318 I C 1.671 177.864 176.117 0.127 0.000 1.186 1318 I CA 1.306 62.661 61.300 0.093 0.000 1.417 1318 I CB -0.682 37.378 38.000 0.099 0.000 1.377 1318 I HN 0.737 nan 8.210 nan 0.000 0.556 1319 G N 5.591 114.468 108.800 0.127 0.000 2.232 1319 G HA2 -0.298 3.662 3.960 0.000 0.000 0.226 1319 G HA3 -0.298 3.662 3.960 0.000 0.000 0.226 1319 G C 0.278 175.225 174.900 0.078 0.000 0.996 1319 G CA -0.558 44.609 45.100 0.113 0.000 0.626 1319 G HN 0.530 nan 8.290 nan 0.000 0.509 1320 F N 5.438 125.376 119.950 -0.019 0.000 2.590 1320 F HA 0.435 4.962 4.527 0.000 0.000 0.389 1320 F C -0.885 174.899 175.800 -0.026 0.000 1.049 1320 F CA -1.381 56.606 58.000 -0.022 0.000 1.199 1320 F CB 0.380 39.371 39.000 -0.015 0.000 1.058 1320 F HN 0.066 nan 8.300 nan 0.000 0.556 1321 P HA -0.114 nan 4.420 nan 0.000 0.264 1321 P C -0.555 176.480 177.300 -0.442 0.000 1.173 1321 P CA 0.404 63.066 63.100 -0.730 0.000 0.761 1321 P CB 0.562 31.505 31.700 -1.262 0.000 0.794 1322 D N 1.810 122.058 120.400 -0.254 0.000 2.538 1322 D HA 0.057 4.697 4.640 0.000 0.000 0.231 1322 D C 0.220 176.478 176.300 -0.069 0.000 1.229 1322 D CA -0.136 53.875 54.000 0.019 0.000 0.828 1322 D CB -0.429 40.456 40.800 0.142 0.000 1.035 1322 D HN 0.271 nan 8.370 nan 0.000 0.495 1323 L N 1.314 122.364 121.223 -0.288 0.000 2.515 1323 L HA 0.329 4.669 4.340 0.000 0.000 0.281 1323 L C 1.743 178.688 176.870 0.126 0.000 1.131 1323 L CA -0.289 54.426 54.840 -0.207 0.000 0.905 1323 L CB 0.846 42.641 42.059 -0.440 0.000 1.246 1323 L HN 0.062 nan 8.230 nan 0.000 0.463 1324 G N 3.136 112.005 108.800 0.116 0.000 2.679 1324 G HA2 -0.142 3.818 3.960 0.000 0.000 0.214 1324 G HA3 -0.142 3.818 3.960 0.000 0.000 0.214 1324 G C 1.053 176.027 174.900 0.124 0.000 1.315 1324 G CA 0.445 45.640 45.100 0.158 0.000 0.836 1324 G HN 0.748 nan 8.290 nan 0.000 0.580 1325 G N -0.423 108.439 108.800 0.103 0.000 3.090 1325 G HA2 0.350 4.310 3.960 0.000 0.000 0.259 1325 G HA3 0.350 4.310 3.960 0.000 0.000 0.259 1325 G C -0.424 174.520 174.900 0.073 0.000 0.797 1325 G CA 0.321 45.469 45.100 0.080 0.000 2.032 1325 G HN 0.523 nan 8.290 nan 0.000 0.614 1326 C N 0.390 119.731 119.300 0.068 0.000 3.239 1326 C HA 0.610 5.070 4.460 0.000 0.000 0.317 1326 C C -1.392 173.537 174.990 -0.103 0.000 1.310 1326 C CA -0.913 58.146 59.018 0.069 0.000 1.371 1326 C CB 2.126 29.990 27.740 0.208 0.000 1.714 1326 C HN 0.481 nan 8.230 nan 0.000 0.473 1327 D N 3.097 123.416 120.400 -0.135 0.000 2.483 1327 D HA 0.385 5.025 4.640 0.000 0.000 0.281 1327 D C -0.206 175.972 176.300 -0.204 0.000 1.174 1327 D CA -0.297 53.533 54.000 -0.283 0.000 0.938 1327 D CB 0.246 40.943 40.800 -0.172 0.000 1.002 1327 D HN 0.562 nan 8.370 nan 0.000 0.501 1328 W N 2.856 124.010 121.300 -0.244 0.000 2.313 1328 W HA 0.436 5.096 4.660 0.000 0.000 0.328 1328 W C -0.369 175.983 176.519 -0.278 0.000 1.197 1328 W CA -0.705 56.439 57.345 -0.334 0.000 1.235 1328 W CB 0.106 29.369 29.460 -0.327 0.000 1.158 1328 W HN 0.277 nan 8.180 nan 0.000 0.578 1329 H N 2.411 121.400 119.070 -0.134 0.000 2.689 1329 H HA 0.544 5.100 4.556 0.000 0.000 0.346 1329 H C -0.308 174.974 175.328 -0.078 0.000 1.037 1329 H CA -1.258 54.653 56.048 -0.229 0.000 1.234 1329 H CB 1.531 31.026 29.762 -0.445 0.000 1.572 1329 H HN 0.568 nan 8.280 nan 0.000 0.524 1330 I N 0.298 120.904 120.570 0.060 0.000 2.566 1330 I HA 0.417 4.587 4.170 0.000 0.000 0.303 1330 I C -0.070 176.103 176.117 0.094 0.000 0.983 1330 I CA -0.892 60.445 61.300 0.063 0.000 1.235 1330 I CB 1.596 39.638 38.000 0.071 0.000 1.386 1330 I HN 0.286 nan 8.210 nan 0.000 0.494 1331 N N 6.400 125.147 118.700 0.078 0.000 2.408 1331 N HA 0.373 5.113 4.740 0.000 0.000 0.257 1331 N C -1.175 174.370 175.510 0.059 0.000 1.064 1331 N CA -0.246 52.852 53.050 0.079 0.000 0.952 1331 N CB 0.710 39.241 38.487 0.073 0.000 1.093 1331 N HN 0.660 nan 8.380 nan 0.000 0.490 1332 M N 2.367 121.997 119.600 0.050 0.000 2.205 1332 M HA 0.280 4.760 4.480 0.000 0.000 0.344 1332 M C 0.100 176.441 176.300 0.068 0.000 1.085 1332 M CA -0.701 54.623 55.300 0.040 0.000 1.001 1332 M CB 1.625 34.200 32.600 -0.042 0.000 1.626 1332 M HN 0.552 nan 8.290 nan 0.000 0.442 1333 T N 0.161 114.750 114.554 0.059 0.000 2.905 1333 T HA 0.695 5.045 4.350 0.000 0.000 0.283 1333 T C -0.712 173.971 174.700 -0.028 0.000 1.031 1333 T CA -0.882 61.236 62.100 0.030 0.000 1.002 1333 T CB 2.512 71.364 68.868 -0.027 0.000 1.200 1333 T HN 0.713 nan 8.240 nan 0.000 0.560 1334 Q N -0.721 119.015 119.800 -0.107 0.000 2.418 1334 Q HA 0.526 4.866 4.340 0.000 0.000 0.282 1334 Q C -1.786 174.131 176.000 -0.137 0.000 1.044 1334 Q CA -0.842 54.818 55.803 -0.239 0.000 0.813 1334 Q CB 2.323 30.929 28.738 -0.220 0.000 1.428 1334 Q HN 0.709 nan 8.270 nan 0.000 0.402 1335 F N 0.523 120.508 119.950 0.058 0.000 2.404 1335 F HA 0.411 4.938 4.527 0.000 0.000 0.345 1335 F C 1.400 177.264 175.800 0.107 0.000 1.110 1335 F CA 0.444 58.481 58.000 0.063 0.000 1.130 1335 F CB 1.586 40.602 39.000 0.027 0.000 1.129 1335 F HN 0.903 nan 8.300 nan 0.000 0.500 1336 G N 1.962 110.888 108.800 0.211 0.000 2.153 1336 G HA2 -0.293 3.667 3.960 0.000 0.000 0.252 1336 G HA3 -0.293 3.667 3.960 0.000 0.000 0.252 1336 G C -0.629 174.076 174.900 -0.326 0.000 0.994 1336 G CA -0.144 44.926 45.100 -0.050 0.000 0.698 1336 G HN 0.834 nan 8.290 nan 0.000 0.521 1337 H N -0.479 118.614 119.070 0.039 0.000 2.966 1337 H HA 0.545 5.101 4.556 0.000 0.000 0.347 1337 H C -0.076 175.267 175.328 0.026 0.000 1.048 1337 H CA -0.107 55.950 56.048 0.016 0.000 1.295 1337 H CB 1.560 31.312 29.762 -0.016 0.000 1.744 1337 H HN 0.300 nan 8.280 nan 0.000 0.513 1338 S N 2.245 118.018 115.700 0.122 0.000 2.416 1338 S HA 0.545 5.015 4.470 0.000 0.000 0.302 1338 S C -0.122 174.535 174.600 0.096 0.000 1.120 1338 S CA -0.498 57.755 58.200 0.088 0.000 1.067 1338 S CB -0.158 63.077 63.200 0.057 0.000 1.057 1338 S HN 0.697 nan 8.310 nan 0.000 0.518 1339 S N 1.658 117.414 115.700 0.093 0.000 2.578 1339 S HA 0.582 5.052 4.470 0.000 0.000 0.272 1339 S C -1.532 173.116 174.600 0.080 0.000 1.145 1339 S CA -0.998 57.255 58.200 0.088 0.000 0.835 1339 S CB 1.660 64.925 63.200 0.108 0.000 1.104 1339 S HN 0.773 nan 8.310 nan 0.000 0.458 1340 Q N 1.011 120.853 119.800 0.070 0.000 2.296 1340 Q HA 0.568 4.908 4.340 0.000 0.000 0.254 1340 Q C -1.232 174.799 176.000 0.052 0.000 0.936 1340 Q CA -0.413 55.427 55.803 0.061 0.000 0.834 1340 Q CB 1.762 30.533 28.738 0.055 0.000 1.340 1340 Q HN 1.029 nan 8.270 nan 0.000 0.428 1341 T N 0.108 114.685 114.554 0.038 0.000 2.910 1341 T HA 0.543 4.893 4.350 0.000 0.000 0.287 1341 T C -0.698 174.018 174.700 0.026 0.000 1.050 1341 T CA -0.821 61.286 62.100 0.012 0.000 1.011 1341 T CB 1.976 70.813 68.868 -0.051 0.000 1.195 1341 T HN 0.543 nan 8.240 nan 0.000 0.540 1342 Q N 0.511 120.328 119.800 0.027 0.000 2.325 1342 Q HA 0.417 4.757 4.340 0.000 0.000 0.270 1342 Q C -2.092 173.945 176.000 0.063 0.000 1.020 1342 Q CA -0.962 54.875 55.803 0.057 0.000 0.785 1342 Q CB 1.279 30.055 28.738 0.064 0.000 1.259 1342 Q HN 0.741 nan 8.270 nan 0.000 0.452 1343 Y N 4.054 124.310 120.300 -0.074 0.000 2.491 1343 Y HA 0.337 4.888 4.550 0.000 0.000 0.334 1343 Y C -1.355 174.500 175.900 -0.075 0.000 0.969 1343 Y CA -1.509 56.533 58.100 -0.095 0.000 1.241 1343 Y CB 0.624 39.029 38.460 -0.091 0.000 1.105 1343 Y HN 0.619 nan 8.280 nan 0.000 0.503 1344 D N 4.810 125.123 120.400 -0.144 0.000 2.317 1344 D HA 0.387 5.027 4.640 0.000 0.000 0.252 1344 D C -0.826 175.184 176.300 -0.483 0.000 1.174 1344 D CA 0.322 54.106 54.000 -0.360 0.000 0.866 1344 D CB 1.260 41.785 40.800 -0.458 0.000 1.127 1344 D HN 0.236 nan 8.370 nan 0.000 0.467 1345 V N 2.008 121.562 119.914 -0.601 0.000 2.487 1345 V HA 0.333 4.453 4.120 0.000 0.000 0.298 1345 V C -0.378 175.255 176.094 -0.768 0.000 1.028 1345 V CA -0.973 60.889 62.300 -0.731 0.000 0.860 1345 V CB 1.877 33.131 31.823 -0.947 0.000 0.991 1345 V HN 0.425 nan 8.190 nan 0.000 0.427 1346 D N 2.666 122.692 120.400 -0.623 0.000 2.256 1346 D HA 0.345 4.985 4.640 0.000 0.000 0.240 1346 D C 1.055 176.814 176.300 -0.902 0.000 1.062 1346 D CA -0.186 53.441 54.000 -0.622 0.000 0.832 1346 D CB 1.978 42.564 40.800 -0.356 0.000 1.135 1346 D HN 0.696 nan 8.370 nan 0.000 0.484 1347 T N 0.130 114.034 114.554 -1.084 0.000 3.380 1347 T HA 0.068 4.418 4.350 0.000 0.000 0.250 1347 T C 0.941 175.184 174.700 -0.760 0.000 1.082 1347 T CA 0.092 61.314 62.100 -1.464 0.000 0.968 1347 T CB -0.152 68.063 68.868 -1.088 0.000 1.027 1347 T HN 0.317 nan 8.240 nan 0.000 0.575 1348 T N 0.923 115.158 114.554 -0.532 0.000 3.056 1348 T HA 0.236 4.586 4.350 0.000 0.000 0.241 1348 T C -1.728 172.767 174.700 -0.342 0.000 1.006 1348 T CA -0.217 61.663 62.100 -0.367 0.000 1.115 1348 T CB -0.782 67.864 68.868 -0.370 0.000 0.939 1348 T HN 0.351 nan 8.240 nan 0.000 0.462 1349 P HA 0.146 nan 4.420 nan 0.000 0.269 1349 P C 0.005 177.272 177.300 -0.055 0.000 1.217 1349 P CA 0.040 63.008 63.100 -0.220 0.000 0.783 1349 P CB 0.392 32.006 31.700 -0.145 0.000 0.898 1350 D N -0.398 119.980 120.400 -0.037 0.000 2.371 1350 D HA -0.096 4.544 4.640 0.000 0.000 0.221 1350 D C 1.599 177.924 176.300 0.042 0.000 0.986 1350 D CA 1.202 55.210 54.000 0.012 0.000 0.899 1350 D CB -0.560 40.241 40.800 0.002 0.000 0.902 1350 D HN 0.482 nan 8.370 nan 0.000 0.530 1351 T N -2.101 112.483 114.554 0.050 0.000 3.088 1351 T HA -0.072 4.278 4.350 0.000 0.000 0.259 1351 T C 0.631 175.395 174.700 0.107 0.000 1.122 1351 T CA -0.312 61.825 62.100 0.062 0.000 1.095 1351 T CB -0.508 68.393 68.868 0.055 0.000 0.930 1351 T HN -0.061 nan 8.240 nan 0.000 0.508 1352 F N 2.885 122.811 119.950 -0.040 0.000 2.567 1352 F HA 0.505 5.032 4.527 0.000 0.000 0.352 1352 F C -0.461 175.333 175.800 -0.010 0.000 1.229 1352 F CA -1.314 56.664 58.000 -0.036 0.000 1.228 1352 F CB 0.322 39.268 39.000 -0.090 0.000 1.568 1352 F HN -0.092 nan 8.300 nan 0.000 0.634 1353 V N 7.755 127.557 119.914 -0.187 0.000 2.326 1353 V HA 0.170 4.290 4.120 0.000 0.000 0.254 1353 V C -1.773 174.195 176.094 -0.209 0.000 1.022 1353 V CA -1.065 61.163 62.300 -0.120 0.000 1.074 1353 V CB 0.598 32.417 31.823 -0.007 0.000 1.305 1353 V HN 0.419 nan 8.190 nan 0.000 0.506 1354 P HA -0.188 nan 4.420 nan 0.000 0.218 1354 P C 1.635 178.790 177.300 -0.243 0.000 1.148 1354 P CA 1.169 63.945 63.100 -0.539 0.000 0.822 1354 P CB 0.104 31.278 31.700 -0.877 0.000 0.784 1355 H N -0.277 118.756 119.070 -0.062 0.000 2.457 1355 H HA -0.030 4.526 4.556 0.000 0.000 0.297 1355 H C 1.198 176.643 175.328 0.194 0.000 1.092 1355 H CA 1.145 57.259 56.048 0.111 0.000 1.309 1355 H CB -0.307 29.531 29.762 0.128 0.000 1.382 1355 H HN 0.154 nan 8.280 nan 0.000 0.535 1356 L N -0.471 120.883 121.223 0.218 0.000 2.769 1356 L HA 0.190 4.530 4.340 0.000 0.000 0.240 1356 L C 1.193 178.132 176.870 0.114 0.000 1.163 1356 L CA 0.353 55.297 54.840 0.174 0.000 0.962 1356 L CB 0.544 42.683 42.059 0.134 0.000 1.258 1356 L HN 0.374 nan 8.230 nan 0.000 0.513 1357 G N 0.539 109.389 108.800 0.084 0.000 2.249 1357 G HA2 -0.262 3.698 3.960 0.000 0.000 0.273 1357 G HA3 -0.262 3.698 3.960 0.000 0.000 0.273 1357 G C -0.010 174.872 174.900 -0.029 0.000 1.036 1357 G CA 0.546 45.653 45.100 0.012 0.000 0.824 1357 G HN 0.354 nan 8.290 nan 0.000 0.504 1358 S N -0.278 115.386 115.700 -0.059 0.000 2.672 1358 S HA 0.749 5.219 4.470 0.000 0.000 0.291 1358 S C 0.119 174.674 174.600 -0.075 0.000 1.145 1358 S CA -0.248 57.927 58.200 -0.041 0.000 1.013 1358 S CB 1.709 64.904 63.200 -0.008 0.000 1.017 1358 S HN 1.033 nan 8.310 nan 0.000 0.487 1359 I N 0.017 120.565 120.570 -0.036 0.000 3.264 1359 I HA 0.580 4.750 4.170 0.000 0.000 0.315 1359 I C -0.103 176.065 176.117 0.084 0.000 1.154 1359 I CA -1.517 59.789 61.300 0.010 0.000 0.962 1359 I CB 1.275 39.299 38.000 0.039 0.000 1.265 1359 I HN 0.547 nan 8.210 nan 0.000 0.463 1360 Q N 1.826 121.731 119.800 0.174 0.000 2.631 1360 Q HA 0.531 4.871 4.340 0.000 0.000 0.210 1360 Q C -0.364 175.688 176.000 0.087 0.000 1.094 1360 Q CA -0.458 55.429 55.803 0.140 0.000 1.055 1360 Q CB 0.684 29.521 28.738 0.165 0.000 1.261 1360 Q HN 0.866 nan 8.270 nan 0.000 0.615 1361 A N 1.585 124.404 122.820 -0.002 0.000 3.474 1361 A HA 0.115 4.435 4.320 0.000 0.000 0.251 1361 A C 0.497 178.034 177.584 -0.079 0.000 1.062 1361 A CA -0.331 51.594 52.037 -0.186 0.000 0.945 1361 A CB -0.377 18.508 19.000 -0.191 0.000 1.296 1361 A HN 0.829 nan 8.150 nan 0.000 0.592 1362 N N 1.137 119.867 118.700 0.050 0.000 2.202 1362 N HA -0.154 4.586 4.740 0.000 0.000 0.197 1362 N C 0.829 176.327 175.510 -0.020 0.000 0.995 1362 N CA 2.445 55.515 53.050 0.033 0.000 0.894 1362 N CB -0.109 38.419 38.487 0.069 0.000 1.010 1362 N HN 1.238 nan 8.380 nan 0.000 0.453 1363 G N -0.478 108.287 108.800 -0.057 0.000 4.918 1363 G HA2 0.384 4.344 3.960 0.000 0.000 0.220 1363 G HA3 0.384 4.344 3.960 0.000 0.000 0.220 1363 G C -0.824 174.012 174.900 -0.108 0.000 2.090 1363 G CA -0.558 44.502 45.100 -0.067 0.000 0.632 1363 G HN 0.213 nan 8.290 nan 0.000 0.234 1364 I N 0.952 121.425 120.570 -0.162 0.000 2.569 1364 I HA 0.632 4.802 4.170 0.000 0.000 0.296 1364 I C 1.188 177.234 176.117 -0.119 0.000 1.028 1364 I CA -1.116 60.054 61.300 -0.216 0.000 1.082 1364 I CB 2.055 39.793 38.000 -0.437 0.000 1.264 1364 I HN 0.147 nan 8.210 nan 0.000 0.429 1365 G N 3.098 111.873 108.800 -0.043 0.000 2.447 1365 G HA2 0.313 4.273 3.960 0.000 0.000 0.269 1365 G HA3 0.313 4.273 3.960 0.000 0.000 0.269 1365 G C 0.076 175.015 174.900 0.066 0.000 1.455 1365 G CA -0.202 44.910 45.100 0.020 0.000 1.061 1365 G HN 0.716 nan 8.290 nan 0.000 0.545 1366 S N -2.150 113.584 115.700 0.057 0.000 2.713 1366 S HA 0.820 5.290 4.470 0.000 0.000 0.283 1366 S C 0.294 174.897 174.600 0.006 0.000 1.161 1366 S CA 0.319 58.545 58.200 0.043 0.000 0.999 1366 S CB 1.344 64.545 63.200 0.002 0.000 1.039 1366 S HN 2.435 nan 8.310 nan 0.000 0.548 1367 G N 0.614 109.382 108.800 -0.054 0.000 2.384 1367 G HA2 0.077 4.037 3.960 0.000 0.000 0.668 1367 G HA3 0.077 4.037 3.960 0.000 0.000 0.668 1367 G C -1.542 173.207 174.900 -0.251 0.000 1.280 1367 G CA -0.521 44.443 45.100 -0.226 0.000 0.992 1367 G HN 1.342 nan 8.290 nan 0.000 0.512 1368 N N -0.462 118.010 118.700 -0.379 0.000 2.362 1368 N HA 0.712 5.452 4.740 0.000 0.000 0.298 1368 N C -1.201 174.047 175.510 -0.436 0.000 1.048 1368 N CA -0.444 52.465 53.050 -0.233 0.000 0.858 1368 N CB 1.932 40.363 38.487 -0.093 0.000 1.218 1368 N HN 0.588 nan 8.380 nan 0.000 0.488 1369 Y N -0.215 120.017 120.300 -0.114 0.000 2.662 1369 Y HA 0.638 5.188 4.550 0.000 0.000 0.335 1369 Y C -0.169 175.643 175.900 -0.146 0.000 1.066 1369 Y CA -1.156 56.852 58.100 -0.153 0.000 1.116 1369 Y CB 1.790 40.178 38.460 -0.119 0.000 1.308 1369 Y HN 0.233 nan 8.280 nan 0.000 0.502 1370 V N 1.210 121.127 119.914 0.005 0.000 2.447 1370 V HA 0.674 4.794 4.120 0.000 0.000 0.292 1370 V C -0.093 176.005 176.094 0.007 0.000 1.021 1370 V CA -0.748 61.527 62.300 -0.042 0.000 0.850 1370 V CB 1.217 32.932 31.823 -0.180 0.000 1.005 1370 V HN 0.910 nan 8.190 nan 0.000 0.426 1371 G N 3.135 111.962 108.800 0.045 0.000 2.400 1371 G HA2 0.676 4.636 3.960 0.000 0.000 0.333 1371 G HA3 0.676 4.636 3.960 0.000 0.000 0.333 1371 G C -1.155 173.752 174.900 0.012 0.000 1.143 1371 G CA -0.581 44.550 45.100 0.052 0.000 0.914 1371 G HN 0.544 nan 8.290 nan 0.000 0.480 1372 V N 2.860 122.773 119.914 -0.001 0.000 2.483 1372 V HA 0.302 4.422 4.120 0.000 0.000 0.297 1372 V C 0.267 176.329 176.094 -0.053 0.000 1.027 1372 V CA -0.732 61.544 62.300 -0.040 0.000 0.855 1372 V CB 1.507 33.312 31.823 -0.030 0.000 0.995 1372 V HN 0.673 nan 8.190 nan 0.000 0.424 1373 L N 4.170 125.317 121.223 -0.125 0.000 2.559 1373 L HA 0.172 4.512 4.340 0.000 0.000 0.274 1373 L C 0.987 177.797 176.870 -0.101 0.000 1.205 1373 L CA 0.636 55.383 54.840 -0.155 0.000 0.907 1373 L CB 0.732 42.597 42.059 -0.324 0.000 1.153 1373 L HN 0.968 nan 8.230 nan 0.000 0.490 1374 S N 0.685 116.357 115.700 -0.047 0.000 2.800 1374 S HA 0.126 4.596 4.470 0.000 0.000 0.266 1374 S C -0.780 173.866 174.600 0.076 0.000 1.029 1374 S CA -0.641 57.559 58.200 -0.001 0.000 1.302 1374 S CB 0.340 63.559 63.200 0.033 0.000 1.212 1374 S HN 0.663 nan 8.310 nan 0.000 0.683 1375 W N 2.776 123.925 121.300 -0.252 0.000 3.775 1375 W HA 0.605 5.265 4.660 0.000 0.000 0.315 1375 W C -2.295 173.858 176.519 -0.611 0.000 1.169 1375 W CA -2.253 54.876 57.345 -0.360 0.000 1.266 1375 W CB 0.529 29.825 29.460 -0.273 0.000 1.269 1375 W HN 0.264 nan 8.180 nan 0.000 0.471 1376 I N 2.794 123.280 120.570 -0.140 0.000 2.648 1376 I HA 0.865 5.035 4.170 0.000 0.000 0.304 1376 I C -0.366 175.580 176.117 -0.285 0.000 1.009 1376 I CA -0.743 60.348 61.300 -0.348 0.000 1.114 1376 I CB 2.076 39.898 38.000 -0.296 0.000 1.293 1376 I HN 0.264 nan 8.210 nan 0.000 0.449 1377 S N 4.042 119.622 115.700 -0.200 0.000 2.569 1377 S HA 0.651 5.121 4.470 0.000 0.000 0.280 1377 S C -2.857 171.748 174.600 0.008 0.000 1.111 1377 S CA -1.550 56.644 58.200 -0.009 0.000 0.887 1377 S CB 2.055 65.327 63.200 0.120 0.000 1.095 1377 S HN 0.616 nan 8.310 nan 0.000 0.476 1378 P HA 0.198 nan 4.420 nan 0.000 0.268 1378 P C -2.680 174.629 177.300 0.015 0.000 1.204 1378 P CA -1.085 62.070 63.100 0.092 0.000 0.768 1378 P CB -0.648 31.126 31.700 0.124 0.000 0.842 1379 P HA -0.118 nan 4.420 nan 0.000 0.257 1379 P C 1.125 178.397 177.300 -0.047 0.000 1.162 1379 P CA 0.638 63.705 63.100 -0.055 0.000 0.762 1379 P CB 0.263 31.940 31.700 -0.039 0.000 0.753 1380 S N 3.165 118.820 115.700 -0.074 0.000 2.325 1380 S HA -0.190 4.280 4.470 0.000 0.000 0.214 1380 S C 1.908 176.486 174.600 -0.038 0.000 1.031 1380 S CA 0.669 58.833 58.200 -0.059 0.000 0.972 1380 S CB -1.359 61.791 63.200 -0.083 0.000 0.908 1380 S HN 0.550 nan 8.310 nan 0.000 0.453 1381 H N 3.758 122.760 119.070 -0.114 0.000 2.422 1381 H HA 0.017 4.573 4.556 0.000 0.000 0.298 1381 H C -0.458 174.829 175.328 -0.069 0.000 1.098 1381 H CA 1.915 57.907 56.048 -0.094 0.000 1.315 1381 H CB -1.110 28.584 29.762 -0.114 0.000 1.382 1381 H HN 0.447 nan 8.280 nan 0.000 0.523 1382 P HA -0.062 nan 4.420 nan 0.000 0.216 1382 P C 0.514 177.792 177.300 -0.036 0.000 1.153 1382 P CA 2.198 65.312 63.100 0.023 0.000 0.848 1382 P CB 0.211 31.922 31.700 0.017 0.000 0.787 1383 S N -5.112 110.557 115.700 -0.052 0.000 4.487 1383 S HA 0.277 4.747 4.470 0.000 0.000 0.061 1383 S C 0.790 175.366 174.600 -0.041 0.000 0.856 1383 S CA 0.063 58.229 58.200 -0.057 0.000 0.965 1383 S CB -1.616 61.563 63.200 -0.034 0.000 0.573 1383 S HN 0.478 nan 8.310 nan 0.000 0.780 1384 G N 0.784 109.562 108.800 -0.037 0.000 2.324 1384 G HA2 -0.179 3.781 3.960 0.000 0.000 0.292 1384 G HA3 -0.179 3.781 3.960 0.000 0.000 0.292 1384 G C 0.029 174.928 174.900 -0.002 0.000 1.079 1384 G CA 0.373 45.460 45.100 -0.021 0.000 1.026 1384 G HN 0.884 nan 8.290 nan 0.000 0.506 1385 S N -1.303 114.400 115.700 0.005 0.000 2.647 1385 S HA 0.638 5.108 4.470 0.000 0.000 0.284 1385 S C 0.626 175.248 174.600 0.037 0.000 1.134 1385 S CA -0.371 57.840 58.200 0.018 0.000 1.027 1385 S CB 1.143 64.353 63.200 0.017 0.000 1.180 1385 S HN 0.655 nan 8.310 nan 0.000 0.521 1386 Q N 0.687 120.513 119.800 0.044 0.000 2.306 1386 Q HA 0.417 4.757 4.340 0.000 0.000 0.241 1386 Q C -1.221 174.830 176.000 0.085 0.000 0.948 1386 Q CA -0.487 55.353 55.803 0.061 0.000 0.886 1386 Q CB 0.833 29.598 28.738 0.045 0.000 1.227 1386 Q HN 0.422 nan 8.270 nan 0.000 0.457 1387 V N 3.294 123.281 119.914 0.122 0.000 2.508 1387 V HA 0.048 4.168 4.120 0.000 0.000 0.281 1387 V C -0.145 176.029 176.094 0.133 0.000 1.041 1387 V CA 0.237 62.631 62.300 0.157 0.000 1.016 1387 V CB 1.179 33.194 31.823 0.320 0.000 0.984 1387 V HN 0.733 nan 8.190 nan 0.000 0.478 1388 D N 4.793 125.269 120.400 0.128 0.000 2.432 1388 D HA 0.253 4.893 4.640 0.000 0.000 0.265 1388 D C 0.737 177.100 176.300 0.104 0.000 1.160 1388 D CA -0.341 53.764 54.000 0.174 0.000 0.911 1388 D CB 1.263 42.175 40.800 0.185 0.000 1.052 1388 D HN 0.456 nan 8.370 nan 0.000 0.508 1389 L N 1.846 123.028 121.223 -0.069 0.000 2.633 1389 L HA -0.007 4.333 4.340 0.000 0.000 0.235 1389 L C 1.172 177.880 176.870 -0.270 0.000 1.163 1389 L CA 0.479 55.176 54.840 -0.238 0.000 0.859 1389 L CB -0.061 41.762 42.059 -0.393 0.000 0.973 1389 L HN 0.443 nan 8.230 nan 0.000 0.451 1390 W N 0.136 121.484 121.300 0.080 0.000 3.047 1390 W HA 0.046 4.706 4.660 0.000 0.000 0.250 1390 W C 1.221 177.880 176.519 0.234 0.000 1.314 1390 W CA -0.369 57.075 57.345 0.165 0.000 1.540 1390 W CB -0.039 29.442 29.460 0.035 0.000 1.127 1390 W HN -0.072 nan 8.180 nan 0.000 0.679 1391 K N 0.703 121.299 120.400 0.326 0.000 2.209 1391 K HA 0.531 4.851 4.320 0.000 0.000 0.238 1391 K C -0.487 176.271 176.600 0.263 0.000 1.028 1391 K CA -0.835 55.611 56.287 0.264 0.000 0.935 1391 K CB 1.564 34.175 32.500 0.186 0.000 1.162 1391 K HN -0.203 nan 8.250 nan 0.000 0.485 1392 I N 2.110 122.827 120.570 0.246 0.000 2.545 1392 I HA 0.373 4.543 4.170 0.000 0.000 0.292 1392 I C -2.432 173.809 176.117 0.206 0.000 1.040 1392 I CA -2.660 58.803 61.300 0.272 0.000 1.068 1392 I CB 2.144 40.354 38.000 0.350 0.000 1.251 1392 I HN 0.462 nan 8.210 nan 0.000 0.424 1393 P HA 0.075 nan 4.420 nan 0.000 0.272 1393 P C -1.216 176.066 177.300 -0.029 0.000 1.240 1393 P CA -0.237 62.898 63.100 0.058 0.000 0.791 1393 P CB 0.490 32.279 31.700 0.148 0.000 0.978 1394 N N 0.549 119.258 118.700 0.016 0.000 2.444 1394 N HA 0.123 4.863 4.740 0.000 0.000 0.271 1394 N C -1.296 174.263 175.510 0.082 0.000 1.069 1394 N CA -0.135 52.970 53.050 0.092 0.000 0.965 1394 N CB -0.262 38.286 38.487 0.101 0.000 1.092 1394 N HN 0.203 nan 8.380 nan 0.000 0.476 1395 Y N 1.433 121.870 120.300 0.228 0.000 2.326 1395 Y HA 0.379 4.929 4.550 0.000 0.000 0.337 1395 Y C 1.456 177.423 175.900 0.112 0.000 1.023 1395 Y CA -0.952 57.247 58.100 0.165 0.000 1.143 1395 Y CB 1.077 39.639 38.460 0.169 0.000 1.183 1395 Y HN 0.632 nan 8.280 nan 0.000 0.485 1396 G N 1.761 110.669 108.800 0.179 0.000 2.268 1396 G HA2 -0.046 3.914 3.960 0.000 0.000 0.257 1396 G HA3 -0.046 3.914 3.960 0.000 0.000 0.257 1396 G C 0.364 175.290 174.900 0.042 0.000 0.827 1396 G CA -0.086 45.077 45.100 0.105 0.000 0.960 1396 G HN 0.803 nan 8.290 nan 0.000 0.353 1397 S N 1.629 117.341 115.700 0.021 0.000 4.027 1397 S HA 0.204 4.674 4.470 0.000 0.000 0.188 1397 S C 0.698 175.250 174.600 -0.080 0.000 1.230 1397 S CA -0.355 57.828 58.200 -0.028 0.000 0.920 1397 S CB 0.144 63.348 63.200 0.007 0.000 1.577 1397 S HN 0.454 nan 8.310 nan 0.000 0.445 1398 S N 2.827 118.406 115.700 -0.201 0.000 2.700 1398 S HA 0.196 4.667 4.470 0.000 0.000 0.321 1398 S C 1.443 175.950 174.600 -0.155 0.000 1.161 1398 S CA -0.727 57.370 58.200 -0.171 0.000 1.078 1398 S CB -0.541 62.549 63.200 -0.182 0.000 1.302 1398 S HN 0.814 nan 8.310 nan 0.000 0.540 1399 I N 0.550 121.083 120.570 -0.062 0.000 2.830 1399 I HA -0.080 4.090 4.170 0.000 0.000 0.263 1399 I C 2.128 178.246 176.117 0.002 0.000 1.230 1399 I CA 0.850 62.133 61.300 -0.029 0.000 1.480 1399 I CB -1.065 36.928 38.000 -0.011 0.000 1.095 1399 I HN 0.532 nan 8.210 nan 0.000 0.455 1400 T N -2.240 112.323 114.554 0.015 0.000 3.023 1400 T HA 0.124 4.474 4.350 0.000 0.000 0.266 1400 T C 0.882 175.620 174.700 0.064 0.000 1.093 1400 T CA 0.390 62.512 62.100 0.036 0.000 1.129 1400 T CB -0.071 68.821 68.868 0.040 0.000 0.899 1400 T HN 0.341 nan 8.240 nan 0.000 0.491 1401 E N 0.772 121.027 120.200 0.092 0.000 2.281 1401 E HA 0.656 5.006 4.350 0.000 0.000 0.257 1401 E C -0.897 175.810 176.600 0.179 0.000 0.971 1401 E CA -0.946 55.560 56.400 0.175 0.000 0.839 1401 E CB 1.942 31.824 29.700 0.304 0.000 1.238 1401 E HN 0.281 nan 8.360 nan 0.000 0.412 1402 A N 1.174 124.141 122.820 0.245 0.000 2.539 1402 A HA 0.199 4.519 4.320 0.000 0.000 0.306 1402 A C 0.117 177.910 177.584 0.348 0.000 1.392 1402 A CA -0.217 51.960 52.037 0.234 0.000 1.060 1402 A CB -0.620 18.504 19.000 0.207 0.000 1.134 1402 A HN 0.362 nan 8.150 nan 0.000 0.542 1403 T N 3.485 118.183 114.554 0.240 0.000 4.219 1403 T HA 0.003 4.353 4.350 0.000 0.000 0.263 1403 T C 0.482 175.305 174.700 0.205 0.000 1.217 1403 T CA 0.284 62.531 62.100 0.245 0.000 1.145 1403 T CB -1.009 67.870 68.868 0.018 0.000 1.298 1403 T HN 0.650 nan 8.240 nan 0.000 0.999 1404 H N 3.979 123.140 119.070 0.152 0.000 3.224 1404 H HA 0.228 4.784 4.556 0.000 0.000 0.265 1404 H C -0.064 175.297 175.328 0.056 0.000 1.461 1404 H CA -0.240 55.863 56.048 0.090 0.000 1.509 1404 H CB -0.331 29.483 29.762 0.087 0.000 1.686 1404 H HN 0.434 nan 8.280 nan 0.000 0.514 1405 L N 2.895 123.997 121.223 -0.201 0.000 2.439 1405 L HA 0.363 4.703 4.340 0.000 0.000 0.259 1405 L C 0.545 177.253 176.870 -0.270 0.000 1.129 1405 L CA -0.766 53.964 54.840 -0.184 0.000 0.803 1405 L CB 0.959 42.977 42.059 -0.067 0.000 1.161 1405 L HN 0.553 nan 8.230 nan 0.000 0.462 1406 A N 3.329 126.069 122.820 -0.134 0.000 2.328 1406 A HA 0.521 4.841 4.320 0.000 0.000 0.284 1406 A C -2.231 175.329 177.584 -0.040 0.000 1.160 1406 A CA -1.424 50.565 52.037 -0.080 0.000 0.818 1406 A CB -0.185 18.819 19.000 0.007 0.000 1.087 1406 A HN 0.417 nan 8.150 nan 0.000 0.504 1407 P HA 0.067 nan 4.420 nan 0.000 0.270 1407 P C 0.040 177.331 177.300 -0.015 0.000 1.227 1407 P CA 0.047 63.137 63.100 -0.016 0.000 0.788 1407 P CB 0.468 32.164 31.700 -0.007 0.000 0.926 1408 S N -0.222 115.474 115.700 -0.005 0.000 2.669 1408 S HA 0.564 5.034 4.470 0.000 0.000 0.270 1408 S C 0.408 174.955 174.600 -0.090 0.000 1.225 1408 S CA -0.684 57.501 58.200 -0.024 0.000 0.991 1408 S CB 0.846 64.061 63.200 0.025 0.000 0.987 1408 S HN 0.542 nan 8.310 nan 0.000 0.552 1409 V N -1.596 118.205 119.914 -0.188 0.000 3.040 1409 V HA 0.962 5.082 4.120 0.000 0.000 0.312 1409 V C -1.335 174.570 176.094 -0.316 0.000 1.115 1409 V CA -1.241 60.759 62.300 -0.500 0.000 0.998 1409 V CB 0.831 32.086 31.823 -0.948 0.000 1.042 1409 V HN 1.231 nan 8.190 nan 0.000 0.433 1410 Y N -0.119 119.877 120.300 -0.508 0.000 2.620 1410 Y HA 0.799 5.349 4.550 0.000 0.000 0.331 1410 Y C -3.217 172.539 175.900 -0.240 0.000 1.173 1410 Y CA -2.286 55.634 58.100 -0.300 0.000 1.076 1410 Y CB 1.333 39.691 38.460 -0.171 0.000 1.336 1410 Y HN 0.557 nan 8.280 nan 0.000 0.459 1411 P HA 0.191 nan 4.420 nan 0.000 0.269 1411 P C -2.370 174.945 177.300 0.024 0.000 1.252 1411 P CA -0.980 62.111 63.100 -0.016 0.000 0.780 1411 P CB 1.473 33.208 31.700 0.059 0.000 0.829 1412 P HA 0.056 nan 4.420 nan 0.000 0.230 1412 P C 1.063 178.393 177.300 0.050 0.000 1.168 1412 P CA 0.611 63.689 63.100 -0.038 0.000 0.793 1412 P CB 0.191 31.763 31.700 -0.214 0.000 0.851 1413 G N -0.715 108.124 108.800 0.064 0.000 2.588 1413 G HA2 0.281 4.241 3.960 0.000 0.000 0.281 1413 G HA3 0.281 4.241 3.960 0.000 0.000 0.281 1413 G C -0.719 174.237 174.900 0.094 0.000 1.236 1413 G CA -0.712 44.425 45.100 0.063 0.000 0.969 1413 G HN 0.006 nan 8.290 nan 0.000 0.504 1414 F N 1.008 121.093 119.950 0.225 0.000 2.502 1414 F HA 0.288 4.815 4.527 0.000 0.000 0.361 1414 F C 1.665 177.532 175.800 0.112 0.000 1.157 1414 F CA 0.876 58.966 58.000 0.150 0.000 1.096 1414 F CB 0.219 39.295 39.000 0.126 0.000 1.141 1414 F HN 0.721 nan 8.300 nan 0.000 0.579 1415 G N 2.446 111.412 108.800 0.276 0.000 2.283 1415 G HA2 -0.306 3.654 3.960 0.000 0.000 0.280 1415 G HA3 -0.306 3.654 3.960 0.000 0.000 0.280 1415 G C -0.113 174.872 174.900 0.143 0.000 1.029 1415 G CA -0.201 45.003 45.100 0.172 0.000 0.840 1415 G HN 0.628 nan 8.290 nan 0.000 0.505 1416 E N -1.315 118.975 120.200 0.149 0.000 2.283 1416 E HA 0.624 4.974 4.350 0.000 0.000 0.267 1416 E C 0.177 176.836 176.600 0.098 0.000 1.045 1416 E CA -0.722 55.755 56.400 0.128 0.000 0.884 1416 E CB 1.926 31.719 29.700 0.156 0.000 1.106 1416 E HN 0.163 nan 8.360 nan 0.000 0.408 1417 V N 2.136 122.101 119.914 0.085 0.000 2.962 1417 V HA 0.282 4.402 4.120 0.000 0.000 0.313 1417 V C -0.236 175.883 176.094 0.041 0.000 1.099 1417 V CA -0.980 61.359 62.300 0.065 0.000 0.971 1417 V CB 1.614 33.477 31.823 0.066 0.000 1.028 1417 V HN 0.540 nan 8.190 nan 0.000 0.430 1418 L N 2.577 123.795 121.223 -0.009 0.000 2.453 1418 L HA 0.329 4.669 4.340 0.000 0.000 0.272 1418 L C -0.363 176.291 176.870 -0.361 0.000 1.182 1418 L CA -0.132 54.584 54.840 -0.205 0.000 0.858 1418 L CB 0.950 42.810 42.059 -0.331 0.000 1.120 1418 L HN 0.384 nan 8.230 nan 0.000 0.474 1419 V N 3.914 123.566 119.914 -0.437 0.000 2.427 1419 V HA 0.408 4.528 4.120 0.000 0.000 0.286 1419 V C -0.221 175.412 176.094 -0.769 0.000 1.034 1419 V CA -0.341 61.732 62.300 -0.378 0.000 0.893 1419 V CB 1.243 32.965 31.823 -0.168 0.000 0.982 1419 V HN 0.370 nan 8.190 nan 0.000 0.452 1420 F N 3.331 123.166 119.950 -0.191 0.000 2.538 1420 F HA 0.663 5.190 4.527 0.000 0.000 0.325 1420 F C -0.308 175.247 175.800 -0.408 0.000 1.066 1420 F CA -0.772 57.099 58.000 -0.216 0.000 0.946 1420 F CB 1.706 40.792 39.000 0.143 0.000 1.199 1420 F HN 0.282 nan 8.300 nan 0.000 0.473 1421 F N 2.581 122.707 119.950 0.293 0.000 2.411 1421 F HA 0.601 5.128 4.527 0.000 0.000 0.352 1421 F C -0.120 175.747 175.800 0.112 0.000 1.123 1421 F CA -0.567 57.519 58.000 0.143 0.000 1.044 1421 F CB 1.228 40.264 39.000 0.060 0.000 1.135 1421 F HN 0.169 nan 8.300 nan 0.000 0.461 1422 M N 2.789 122.523 119.600 0.223 0.000 2.465 1422 M HA 0.556 5.036 4.480 0.000 0.000 0.316 1422 M C -0.901 175.442 176.300 0.071 0.000 1.121 1422 M CA -0.523 54.839 55.300 0.104 0.000 0.934 1422 M CB 2.491 35.133 32.600 0.070 0.000 1.692 1422 M HN 0.518 nan 8.290 nan 0.000 0.444 1423 S N 1.061 116.772 115.700 0.019 0.000 2.538 1423 S HA 0.524 4.994 4.470 0.000 0.000 0.288 1423 S C -1.016 173.577 174.600 -0.011 0.000 1.108 1423 S CA -1.308 56.895 58.200 0.005 0.000 0.971 1423 S CB 1.623 64.817 63.200 -0.010 0.000 1.041 1423 S HN 0.551 nan 8.310 nan 0.000 0.483 1424 K N 1.626 122.026 120.400 0.001 0.000 2.416 1424 K HA 0.211 4.531 4.320 0.000 0.000 0.283 1424 K C -0.393 176.205 176.600 -0.004 0.000 1.037 1424 K CA 0.041 56.333 56.287 0.008 0.000 0.995 1424 K CB 0.392 32.901 32.500 0.015 0.000 0.938 1424 K HN 0.636 nan 8.250 nan 0.000 0.475 1425 M N 6.090 125.695 119.600 0.009 0.000 2.209 1425 M HA 0.273 4.753 4.480 0.000 0.000 0.355 1425 M C -2.294 173.996 176.300 -0.018 0.000 1.171 1425 M CA -1.930 53.353 55.300 -0.029 0.000 1.069 1425 M CB 1.161 33.721 32.600 -0.068 0.000 1.622 1425 M HN 0.304 nan 8.290 nan 0.000 0.459 1426 P HA 0.440 nan 4.420 nan 0.000 0.271 1426 P C -0.539 176.687 177.300 -0.123 0.000 1.220 1426 P CA 0.112 63.161 63.100 -0.084 0.000 0.768 1426 P CB 0.758 32.395 31.700 -0.105 0.000 0.848 1427 G N 3.563 112.292 108.800 -0.118 0.000 2.341 1427 G HA2 0.283 4.243 3.960 0.000 0.000 0.299 1427 G HA3 0.283 4.243 3.960 0.000 0.000 0.299 1427 G C -2.831 172.107 174.900 0.063 0.000 1.274 1427 G CA -0.734 44.303 45.100 -0.106 0.000 0.853 1427 G HN 0.307 nan 8.290 nan 0.000 0.493 1428 P HA 0.365 nan 4.420 nan 0.000 0.254 1428 P C 0.537 178.066 177.300 0.381 0.000 1.631 1428 P CA 1.102 64.372 63.100 0.283 0.000 0.861 1428 P CB 0.202 32.078 31.700 0.294 0.000 1.663 1429 G N -0.609 108.472 108.800 0.469 0.000 2.325 1429 G HA2 0.387 4.347 3.960 0.000 0.000 0.295 1429 G HA3 0.387 4.347 3.960 0.000 0.000 0.295 1429 G C -1.562 173.356 174.900 0.030 0.000 1.274 1429 G CA -0.190 44.983 45.100 0.122 0.000 0.857 1429 G HN 0.033 nan 8.290 nan 0.000 0.499 1430 A N 0.207 122.900 122.820 -0.213 0.000 3.004 1430 A HA 0.666 4.986 4.320 0.000 0.000 0.286 1430 A C -0.857 176.590 177.584 -0.228 0.000 1.632 1430 A CA -0.165 51.792 52.037 -0.134 0.000 1.339 1430 A CB -1.007 17.930 19.000 -0.104 0.000 1.136 1430 A HN 0.538 nan 8.150 nan 0.000 0.577 1431 Y N 1.269 121.557 120.300 -0.019 0.000 2.361 1431 Y HA 0.493 5.043 4.550 0.000 0.000 0.332 1431 Y C 0.096 175.960 175.900 -0.060 0.000 1.101 1431 Y CA -1.029 57.046 58.100 -0.041 0.000 1.137 1431 Y CB 1.564 39.998 38.460 -0.043 0.000 1.207 1431 Y HN 0.725 nan 8.280 nan 0.000 0.463 1432 N N 1.864 120.592 118.700 0.047 0.000 2.533 1432 N HA 0.292 5.032 4.740 0.000 0.000 0.289 1432 N C -1.808 173.628 175.510 -0.123 0.000 1.103 1432 N CA -0.690 52.347 53.050 -0.021 0.000 0.877 1432 N CB 1.335 39.817 38.487 -0.009 0.000 1.419 1432 N HN 0.494 nan 8.380 nan 0.000 0.517 1433 L N 2.432 123.572 121.223 -0.137 0.000 2.418 1433 L HA 0.543 4.883 4.340 0.000 0.000 0.274 1433 L C -2.636 174.090 176.870 -0.240 0.000 1.135 1433 L CA -1.182 53.514 54.840 -0.240 0.000 0.870 1433 L CB 0.300 42.229 42.059 -0.217 0.000 1.154 1433 L HN 0.516 nan 8.230 nan 0.000 0.462 1434 P HA 0.433 nan 4.420 nan 0.000 0.298 1434 P C -1.454 175.778 177.300 -0.113 0.000 1.314 1434 P CA -0.676 62.270 63.100 -0.256 0.000 0.854 1434 P CB 1.204 32.459 31.700 -0.742 0.000 1.019 1435 C N 1.843 121.294 119.300 0.250 0.000 3.090 1435 C HA 0.509 4.970 4.460 0.000 0.000 0.305 1435 C C 1.437 176.805 174.990 0.631 0.000 1.292 1435 C CA -0.738 58.492 59.018 0.354 0.000 1.482 1435 C CB 0.139 27.977 27.740 0.164 0.000 1.897 1435 C HN 0.502 nan 8.230 nan 0.000 0.469 1436 L N 0.425 122.018 121.223 0.617 0.000 2.095 1436 L HA 0.225 4.565 4.340 0.000 0.000 0.204 1436 L C 0.203 177.395 176.870 0.536 0.000 1.080 1436 L CA 1.255 56.372 54.840 0.460 0.000 0.759 1436 L CB -0.327 41.964 42.059 0.386 0.000 0.914 1436 L HN 0.622 nan 8.230 nan 0.000 0.439 1437 L N -1.614 119.884 121.223 0.459 0.000 2.445 1437 L HA 0.451 4.791 4.340 0.000 0.000 0.262 1437 L C -2.634 174.237 176.870 0.001 0.000 0.974 1437 L CA -2.036 52.972 54.840 0.280 0.000 0.822 1437 L CB 1.880 44.089 42.059 0.250 0.000 1.339 1437 L HN -0.343 nan 8.230 nan 0.000 0.409 1438 P HA 0.061 nan 4.420 nan 0.000 0.269 1438 P C -0.073 177.148 177.300 -0.132 0.000 1.209 1438 P CA -0.254 62.609 63.100 -0.395 0.000 0.776 1438 P CB 0.848 32.076 31.700 -0.787 0.000 0.876 1439 Q N 2.621 122.387 119.800 -0.057 0.000 2.135 1439 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 1439 Q C 1.569 177.604 176.000 0.057 0.000 0.981 1439 Q CA 1.960 57.773 55.803 0.017 0.000 0.856 1439 Q CB -0.454 28.292 28.738 0.013 0.000 0.902 1439 Q HN 0.401 nan 8.270 nan 0.000 0.425 1440 E N -0.859 119.369 120.200 0.047 0.000 2.110 1440 E HA -0.208 4.142 4.350 0.000 0.000 0.193 1440 E C 1.809 178.550 176.600 0.235 0.000 0.988 1440 E CA 1.107 57.577 56.400 0.116 0.000 0.804 1440 E CB -0.756 29.003 29.700 0.098 0.000 0.745 1440 E HN 0.449 nan 8.360 nan 0.000 0.458 1441 Y N 1.172 121.460 120.300 -0.021 0.000 2.181 1441 Y HA -0.091 4.459 4.550 0.000 0.000 0.288 1441 Y C 2.491 178.429 175.900 0.063 0.000 1.146 1441 Y CA 0.184 58.278 58.100 -0.010 0.000 1.164 1441 Y CB -0.739 37.696 38.460 -0.043 0.000 0.982 1441 Y HN -0.032 nan 8.280 nan 0.000 0.515 1442 I N -0.918 119.790 120.570 0.230 0.000 2.163 1442 I HA -0.350 3.820 4.170 0.000 0.000 0.243 1442 I C 2.327 178.520 176.117 0.128 0.000 1.085 1442 I CA 1.673 63.070 61.300 0.161 0.000 1.347 1442 I CB -0.656 37.419 38.000 0.124 0.000 1.044 1442 I HN 0.033 nan 8.210 nan 0.000 0.408 1443 S N -0.507 115.263 115.700 0.117 0.000 2.370 1443 S HA -0.265 4.205 4.470 0.000 0.000 0.226 1443 S C 2.009 176.660 174.600 0.084 0.000 1.033 1443 S CA 1.368 59.617 58.200 0.083 0.000 1.011 1443 S CB -0.628 62.617 63.200 0.076 0.000 0.852 1443 S HN 0.505 nan 8.310 nan 0.000 0.457 1444 H N 1.640 120.718 119.070 0.015 0.000 2.299 1444 H HA 0.059 4.615 4.556 0.000 0.000 0.302 1444 H C 2.029 177.335 175.328 -0.036 0.000 1.078 1444 H CA 1.404 57.433 56.048 -0.031 0.000 1.323 1444 H CB -0.387 29.326 29.762 -0.083 0.000 1.381 1444 H HN 0.315 nan 8.280 nan 0.000 0.498 1445 L N 0.371 121.691 121.223 0.161 0.000 2.127 1445 L HA -0.160 4.180 4.340 0.000 0.000 0.211 1445 L C 3.079 179.974 176.870 0.042 0.000 1.089 1445 L CA 0.972 55.883 54.840 0.119 0.000 0.757 1445 L CB -0.592 41.568 42.059 0.168 0.000 0.899 1445 L HN 0.283 nan 8.230 nan 0.000 0.434 1446 A N -1.014 121.827 122.820 0.034 0.000 1.933 1446 A HA -0.205 4.115 4.320 0.000 0.000 0.218 1446 A C 2.544 180.114 177.584 -0.024 0.000 1.175 1446 A CA 2.035 54.081 52.037 0.015 0.000 0.628 1446 A CB -0.498 18.514 19.000 0.020 0.000 0.814 1446 A HN 0.357 nan 8.150 nan 0.000 0.444 1447 S N -0.244 115.414 115.700 -0.071 0.000 2.329 1447 S HA -0.074 4.397 4.470 0.000 0.000 0.215 1447 S C 0.822 175.352 174.600 -0.117 0.000 1.031 1447 S CA 0.704 58.842 58.200 -0.103 0.000 0.985 1447 S CB -0.298 62.811 63.200 -0.151 0.000 0.917 1447 S HN 0.634 nan 8.310 nan 0.000 0.441 1448 E N 2.095 122.179 120.200 -0.193 0.000 1.861 1448 E HA 0.111 4.461 4.350 0.000 0.000 0.263 1448 E C -0.683 175.889 176.600 -0.048 0.000 1.137 1448 E CA -0.107 56.206 56.400 -0.147 0.000 0.944 1448 E CB 0.350 29.903 29.700 -0.245 0.000 1.092 1448 E HN 0.511 nan 8.360 nan 0.000 0.420 1449 Q N 1.753 121.542 119.800 -0.018 0.000 3.107 1449 Q HA 0.137 4.477 4.340 0.000 0.000 0.268 1449 Q C -0.206 175.818 176.000 0.040 0.000 1.382 1449 Q CA -0.346 55.468 55.803 0.019 0.000 0.927 1449 Q CB 0.201 28.945 28.738 0.011 0.000 1.755 1449 Q HN 0.390 nan 8.270 nan 0.000 0.545 1450 A N 3.389 126.257 122.820 0.079 0.000 2.404 1450 A HA 0.329 4.649 4.320 0.000 0.000 0.273 1450 A C -2.013 175.638 177.584 0.113 0.000 1.144 1450 A CA -1.405 50.702 52.037 0.116 0.000 0.806 1450 A CB 0.021 19.132 19.000 0.184 0.000 1.080 1450 A HN 0.318 nan 8.150 nan 0.000 0.509 1451 P HA 0.083 nan 4.420 nan 0.000 0.268 1451 P C -0.021 177.202 177.300 -0.128 0.000 1.204 1451 P CA 0.303 63.379 63.100 -0.041 0.000 0.768 1451 P CB 0.434 32.097 31.700 -0.062 0.000 0.842 1452 T N 0.195 114.603 114.554 -0.242 0.000 2.729 1452 T HA 0.354 4.704 4.350 0.000 0.000 0.296 1452 T C 0.228 174.427 174.700 -0.833 0.000 0.928 1452 T CA -0.669 61.100 62.100 -0.553 0.000 1.045 1452 T CB 0.094 68.737 68.868 -0.376 0.000 0.902 1452 T HN 0.135 nan 8.240 nan 0.000 0.500 1453 V N 3.592 122.588 119.914 -1.531 0.000 2.394 1453 V HA 0.787 4.907 4.120 0.000 0.000 0.282 1453 V C 1.038 176.343 176.094 -1.315 0.000 1.031 1453 V CA 0.238 61.776 62.300 -1.269 0.000 0.881 1453 V CB 0.217 31.295 31.823 -1.241 0.000 0.982 1453 V HN 1.513 nan 8.190 nan 0.000 0.451 1454 G N 4.133 112.556 108.800 -0.627 0.000 2.699 1454 G HA2 -0.134 3.827 3.960 0.000 0.000 0.686 1454 G HA3 -0.134 3.827 3.960 0.000 0.000 0.686 1454 G C 0.085 174.837 174.900 -0.247 0.000 1.301 1454 G CA 0.006 44.909 45.100 -0.328 0.000 0.816 1454 G HN 0.722 nan 8.290 nan 0.000 0.595 1455 E N 0.160 120.279 120.200 -0.136 0.000 2.274 1455 E HA 0.305 4.655 4.350 0.000 0.000 0.194 1455 E C 1.256 177.736 176.600 -0.200 0.000 0.996 1455 E CA 1.247 57.559 56.400 -0.146 0.000 0.840 1455 E CB 0.109 29.727 29.700 -0.136 0.000 0.772 1455 E HN 1.360 nan 8.360 nan 0.000 0.491 1456 A N 0.344 123.060 122.820 -0.174 0.000 2.599 1456 A HA 0.693 5.013 4.320 0.000 0.000 0.290 1456 A C -1.681 175.879 177.584 -0.040 0.000 1.101 1456 A CA -0.368 51.475 52.037 -0.323 0.000 0.674 1456 A CB 1.460 20.021 19.000 -0.733 0.000 1.277 1456 A HN 0.056 nan 8.150 nan 0.000 0.419 1457 A N 0.552 123.271 122.820 -0.170 0.000 2.267 1457 A HA 0.616 4.936 4.320 0.000 0.000 0.315 1457 A C -0.724 176.739 177.584 -0.202 0.000 1.297 1457 A CA -0.419 51.543 52.037 -0.124 0.000 0.865 1457 A CB 0.337 19.124 19.000 -0.355 0.000 1.165 1457 A HN 1.696 nan 8.150 nan 0.000 0.513 1458 L N 3.906 124.959 121.223 -0.283 0.000 2.361 1458 L HA 0.511 4.852 4.340 0.000 0.000 0.278 1458 L C -0.708 175.969 176.870 -0.322 0.000 1.113 1458 L CA 0.417 55.021 54.840 -0.393 0.000 0.849 1458 L CB 0.085 41.784 42.059 -0.601 0.000 1.155 1458 L HN 0.596 nan 8.230 nan 0.000 0.452 1459 L N 5.293 126.421 121.223 -0.158 0.000 2.342 1459 L HA 0.502 4.842 4.340 0.000 0.000 0.271 1459 L C -0.763 176.187 176.870 0.133 0.000 1.008 1459 L CA -0.801 54.055 54.840 0.026 0.000 0.818 1459 L CB 1.759 43.905 42.059 0.146 0.000 1.296 1459 L HN 0.595 nan 8.230 nan 0.000 0.427 1460 H N 0.629 119.859 119.070 0.267 0.000 2.505 1460 H HA 0.265 4.821 4.556 0.000 0.000 0.338 1460 H C -1.399 174.162 175.328 0.389 0.000 1.057 1460 H CA -0.558 55.663 56.048 0.289 0.000 1.202 1460 H CB 1.946 31.771 29.762 0.105 0.000 1.466 1460 H HN 0.417 nan 8.280 nan 0.000 0.499 1461 Y N 4.735 125.306 120.300 0.453 0.000 2.452 1461 Y HA 0.304 4.854 4.550 0.000 0.000 0.348 1461 Y C -0.964 174.965 175.900 0.050 0.000 0.985 1461 Y CA -0.539 57.624 58.100 0.104 0.000 1.214 1461 Y CB 0.110 38.645 38.460 0.124 0.000 1.136 1461 Y HN 0.315 nan 8.280 nan 0.000 0.523 1462 V N 5.615 125.356 119.914 -0.288 0.000 2.581 1462 V HA 0.181 4.301 4.120 0.000 0.000 0.303 1462 V C -0.562 175.301 176.094 -0.384 0.000 1.041 1462 V CA -1.138 61.011 62.300 -0.252 0.000 0.907 1462 V CB 1.893 33.635 31.823 -0.136 0.000 0.994 1462 V HN 0.662 nan 8.190 nan 0.000 0.442 1463 D N 5.945 126.194 120.400 -0.252 0.000 2.325 1463 D HA 0.243 4.883 4.640 0.000 0.000 0.251 1463 D C -1.045 175.160 176.300 -0.160 0.000 1.196 1463 D CA -1.872 51.999 54.000 -0.214 0.000 0.866 1463 D CB 1.687 42.410 40.800 -0.127 0.000 1.101 1463 D HN 0.235 nan 8.370 nan 0.000 0.476 1464 P HA -0.161 nan 4.420 nan 0.000 0.217 1464 P C 0.385 177.636 177.300 -0.082 0.000 1.148 1464 P CA 0.944 63.977 63.100 -0.112 0.000 0.828 1464 P CB 0.466 32.103 31.700 -0.104 0.000 0.783 1465 D N -0.579 119.776 120.400 -0.075 0.000 2.183 1465 D HA -0.075 4.565 4.640 0.000 0.000 0.203 1465 D C 2.038 178.308 176.300 -0.051 0.000 0.969 1465 D CA 2.036 56.002 54.000 -0.056 0.000 0.842 1465 D CB -0.524 40.248 40.800 -0.047 0.000 0.957 1465 D HN 0.348 nan 8.370 nan 0.000 0.484 1466 T N -4.523 109.996 114.554 -0.058 0.000 2.999 1466 T HA 0.353 4.703 4.350 0.000 0.000 0.247 1466 T C 1.716 176.381 174.700 -0.058 0.000 1.012 1466 T CA 0.707 62.776 62.100 -0.051 0.000 1.048 1466 T CB 0.825 69.666 68.868 -0.046 0.000 1.020 1466 T HN 0.150 nan 8.240 nan 0.000 0.478 1467 G N 1.843 110.599 108.800 -0.073 0.000 2.141 1467 G HA2 -0.264 3.696 3.960 0.000 0.000 0.242 1467 G HA3 -0.264 3.696 3.960 0.000 0.000 0.242 1467 G C 0.059 174.909 174.900 -0.082 0.000 0.982 1467 G CA 0.131 45.185 45.100 -0.078 0.000 0.662 1467 G HN 0.840 nan 8.290 nan 0.000 0.527 1468 R N 0.517 120.971 120.500 -0.077 0.000 2.441 1468 R HA 0.325 4.665 4.340 0.000 0.000 0.284 1468 R C 0.073 176.327 176.300 -0.077 0.000 1.070 1468 R CA -0.594 55.463 56.100 -0.071 0.000 1.047 1468 R CB 0.216 30.486 30.300 -0.050 0.000 1.016 1468 R HN 0.214 nan 8.270 nan 0.000 0.477 1469 N N 5.044 123.690 118.700 -0.089 0.000 2.420 1469 N HA 0.019 4.759 4.740 0.000 0.000 0.262 1469 N C 0.602 176.123 175.510 0.019 0.000 1.144 1469 N CA 0.068 53.073 53.050 -0.074 0.000 0.952 1469 N CB 1.039 39.407 38.487 -0.197 0.000 1.081 1469 N HN 0.544 nan 8.380 nan 0.000 0.480 1470 L N 1.089 122.373 121.223 0.102 0.000 2.249 1470 L HA 0.227 4.567 4.340 0.000 0.000 0.207 1470 L C 1.391 178.409 176.870 0.247 0.000 1.090 1470 L CA 0.262 55.211 54.840 0.182 0.000 0.802 1470 L CB -0.030 42.190 42.059 0.269 0.000 0.947 1470 L HN 0.494 nan 8.230 nan 0.000 0.453 1471 G N -0.770 108.243 108.800 0.354 0.000 2.600 1471 G HA2 0.451 4.411 3.960 0.000 0.000 0.293 1471 G HA3 0.451 4.411 3.960 0.000 0.000 0.293 1471 G C -1.892 173.222 174.900 0.356 0.000 1.408 1471 G CA -0.363 44.900 45.100 0.272 0.000 0.782 1471 G HN -0.111 nan 8.290 nan 0.000 0.482 1472 E N -0.568 119.641 120.200 0.015 0.000 2.246 1472 E HA 0.646 4.996 4.350 0.000 0.000 0.266 1472 E C -1.468 174.988 176.600 -0.240 0.000 0.880 1472 E CA -0.520 55.941 56.400 0.102 0.000 0.762 1472 E CB 1.631 31.389 29.700 0.097 0.000 1.180 1472 E HN 0.251 nan 8.360 nan 0.000 0.416 1473 F N 1.405 121.405 119.950 0.083 0.000 2.640 1473 F HA 0.543 5.070 4.527 0.000 0.000 0.324 1473 F C -0.309 175.434 175.800 -0.095 0.000 1.077 1473 F CA -0.925 57.088 58.000 0.022 0.000 0.965 1473 F CB 1.650 40.661 39.000 0.020 0.000 1.351 1473 F HN 0.117 nan 8.300 nan 0.000 0.487 1474 K N 0.821 121.284 120.400 0.104 0.000 2.426 1474 K HA 0.776 5.096 4.320 0.000 0.000 0.254 1474 K C -1.328 175.175 176.600 -0.161 0.000 0.936 1474 K CA -0.781 55.434 56.287 -0.119 0.000 0.801 1474 K CB 2.147 34.534 32.500 -0.188 0.000 1.139 1474 K HN 0.676 nan 8.250 nan 0.000 0.424 1475 A N 3.434 126.095 122.820 -0.266 0.000 2.260 1475 A HA 0.477 4.797 4.320 0.000 0.000 0.314 1475 A C -1.262 176.066 177.584 -0.427 0.000 1.257 1475 A CA -0.424 51.455 52.037 -0.264 0.000 0.871 1475 A CB 0.117 19.006 19.000 -0.185 0.000 1.166 1475 A HN 0.626 nan 8.150 nan 0.000 0.522 1476 Y N 3.480 123.403 120.300 -0.628 0.000 2.335 1476 Y HA 0.326 4.876 4.550 0.000 0.000 0.323 1476 Y C -0.962 174.668 175.900 -0.449 0.000 1.224 1476 Y CA -1.599 56.109 58.100 -0.653 0.000 1.241 1476 Y CB 0.846 38.616 38.460 -1.150 0.000 1.235 1476 Y HN 0.572 nan 8.280 nan 0.000 0.492 1477 P HA -0.274 nan 4.420 nan 0.000 0.218 1477 P C 0.461 177.758 177.300 -0.004 0.000 1.154 1477 P CA 1.998 65.051 63.100 -0.078 0.000 0.872 1477 P CB 0.381 32.043 31.700 -0.063 0.000 0.790 1478 D N -0.758 119.684 120.400 0.070 0.000 2.350 1478 D HA 0.048 4.688 4.640 0.000 0.000 0.216 1478 D C 1.249 177.687 176.300 0.230 0.000 0.968 1478 D CA 1.478 55.588 54.000 0.183 0.000 0.894 1478 D CB -0.475 40.510 40.800 0.309 0.000 0.909 1478 D HN 0.325 nan 8.370 nan 0.000 0.520 1479 G N 1.000 109.898 108.800 0.163 0.000 2.970 1479 G HA2 -0.044 3.916 3.960 0.000 0.000 0.249 1479 G HA3 -0.044 3.916 3.960 0.000 0.000 0.249 1479 G C -0.339 174.761 174.900 0.333 0.000 1.113 1479 G CA -0.242 44.973 45.100 0.192 0.000 1.119 1479 G HN 0.302 nan 8.290 nan 0.000 0.552 1480 F N -1.471 118.524 119.950 0.074 0.000 2.708 1480 F HA 0.761 5.288 4.527 0.000 0.000 0.309 1480 F C -0.772 175.049 175.800 0.035 0.000 1.120 1480 F CA -1.929 56.087 58.000 0.026 0.000 0.978 1480 F CB 0.849 39.817 39.000 -0.054 0.000 1.283 1480 F HN 0.179 nan 8.300 nan 0.000 0.439 1481 L N 2.166 123.440 121.223 0.084 0.000 2.387 1481 L HA 0.920 5.260 4.340 0.000 0.000 0.266 1481 L C 0.008 176.945 176.870 0.111 0.000 1.059 1481 L CA -0.789 54.056 54.840 0.008 0.000 0.801 1481 L CB 2.130 44.115 42.059 -0.122 0.000 1.223 1481 L HN 0.997 nan 8.230 nan 0.000 0.456 1482 T N -2.163 112.496 114.554 0.175 0.000 2.816 1482 T HA 0.718 5.068 4.350 0.000 0.000 0.299 1482 T C -0.628 174.194 174.700 0.204 0.000 1.230 1482 T CA -0.798 61.415 62.100 0.189 0.000 1.007 1482 T CB 1.856 70.873 68.868 0.249 0.000 1.289 1482 T HN 1.028 nan 8.240 nan 0.000 0.508 1483 C N -0.568 118.808 119.300 0.127 0.000 3.259 1483 C HA 0.822 5.282 4.460 0.000 0.000 0.344 1483 C C -1.456 173.550 174.990 0.027 0.000 1.401 1483 C CA -0.811 58.217 59.018 0.017 0.000 1.219 1483 C CB 0.639 28.312 27.740 -0.112 0.000 1.521 1483 C HN 0.965 nan 8.230 nan 0.000 0.455 1484 V N 3.134 123.039 119.914 -0.014 0.000 2.334 1484 V HA 0.535 4.655 4.120 0.000 0.000 0.281 1484 V C -1.999 174.095 176.094 0.001 0.000 1.016 1484 V CA -0.963 61.351 62.300 0.024 0.000 0.832 1484 V CB 1.629 33.479 31.823 0.045 0.000 0.999 1484 V HN 0.862 nan 8.190 nan 0.000 0.439 1485 P HA 0.141 nan 4.420 nan 0.000 0.276 1485 P C 0.382 177.695 177.300 0.021 0.000 1.230 1485 P CA -0.101 63.012 63.100 0.022 0.000 0.776 1485 P CB 1.150 32.873 31.700 0.037 0.000 0.888 1486 N N 1.935 120.645 118.700 0.017 0.000 2.149 1486 N HA -0.075 4.665 4.740 0.000 0.000 0.188 1486 N C 0.868 176.391 175.510 0.022 0.000 1.019 1486 N CA 1.505 54.566 53.050 0.018 0.000 0.857 1486 N CB -0.145 38.352 38.487 0.018 0.000 0.997 1486 N HN 0.693 nan 8.380 nan 0.000 0.426 1487 G N -3.111 105.704 108.800 0.025 0.000 2.608 1487 G HA2 0.551 4.511 3.960 0.000 0.000 0.291 1487 G HA3 0.551 4.511 3.960 0.000 0.000 0.291 1487 G C 0.234 175.150 174.900 0.026 0.000 1.425 1487 G CA 0.053 45.167 45.100 0.024 0.000 0.787 1487 G HN 0.174 nan 8.290 nan 0.000 0.484 1488 A N -0.188 122.646 122.820 0.023 0.000 1.978 1488 A HA 0.028 4.348 4.320 0.000 0.000 0.220 1488 A C 2.465 180.065 177.584 0.026 0.000 1.170 1488 A CA 2.973 55.023 52.037 0.022 0.000 0.636 1488 A CB -0.622 18.387 19.000 0.016 0.000 0.810 1488 A HN 1.524 nan 8.150 nan 0.000 0.448 1489 S N -1.463 114.252 115.700 0.026 0.000 2.496 1489 S HA 0.162 4.632 4.470 0.000 0.000 0.224 1489 S C 1.029 175.650 174.600 0.035 0.000 0.996 1489 S CA 0.504 58.722 58.200 0.029 0.000 0.927 1489 S CB -0.292 62.923 63.200 0.024 0.000 0.774 1489 S HN 0.418 nan 8.310 nan 0.000 0.524 1490 S N 0.023 115.744 115.700 0.035 0.000 2.713 1490 S HA 0.784 5.254 4.470 0.000 0.000 0.283 1490 S C 0.151 174.780 174.600 0.048 0.000 1.161 1490 S CA 0.213 58.437 58.200 0.040 0.000 0.999 1490 S CB 1.095 64.315 63.200 0.033 0.000 1.039 1490 S HN 1.017 nan 8.310 nan 0.000 0.548 1491 G N 1.186 110.019 108.800 0.055 0.000 2.341 1491 G HA2 0.208 4.168 3.960 0.000 0.000 0.293 1491 G HA3 0.208 4.168 3.960 0.000 0.000 0.293 1491 G C -2.842 172.111 174.900 0.089 0.000 1.298 1491 G CA -0.278 44.863 45.100 0.068 0.000 0.868 1491 G HN 0.401 nan 8.290 nan 0.000 0.540 1492 P HA -0.058 nan 4.420 nan 0.000 0.230 1492 P C 1.145 178.515 177.300 0.117 0.000 1.158 1492 P CA 1.083 64.274 63.100 0.152 0.000 0.769 1492 P CB 0.197 32.029 31.700 0.220 0.000 0.807 1493 Q N 0.362 120.227 119.800 0.108 0.000 2.226 1493 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 1493 Q C 2.133 178.186 176.000 0.088 0.000 0.975 1493 Q CA 1.361 57.224 55.803 0.099 0.000 0.866 1493 Q CB -0.841 27.954 28.738 0.096 0.000 0.915 1493 Q HN 0.471 nan 8.270 nan 0.000 0.440 1494 Q N -0.199 119.652 119.800 0.085 0.000 2.451 1494 Q HA 0.106 4.446 4.340 0.000 0.000 0.206 1494 Q C -0.188 175.866 176.000 0.090 0.000 0.947 1494 Q CA 0.130 55.980 55.803 0.078 0.000 0.937 1494 Q CB 0.207 28.986 28.738 0.068 0.000 1.025 1494 Q HN 0.342 nan 8.270 nan 0.000 0.511 1495 L N 2.623 123.911 121.223 0.109 0.000 2.357 1495 L HA 0.369 4.709 4.340 0.000 0.000 0.273 1495 L C -1.943 175.015 176.870 0.146 0.000 1.080 1495 L CA -2.240 52.685 54.840 0.142 0.000 0.803 1495 L CB 0.380 42.541 42.059 0.169 0.000 1.174 1495 L HN -0.057 nan 8.230 nan 0.000 0.443 1496 P HA 0.097 nan 4.420 nan 0.000 0.275 1496 P C -0.084 177.329 177.300 0.187 0.000 1.228 1496 P CA -0.328 62.853 63.100 0.135 0.000 0.786 1496 P CB 1.162 32.919 31.700 0.094 0.000 0.927 1497 I N 1.390 122.038 120.570 0.130 0.000 3.812 1497 I HA 0.065 4.235 4.170 0.000 0.000 0.319 1497 I C 1.096 177.262 176.117 0.082 0.000 1.353 1497 I CA 0.122 61.506 61.300 0.140 0.000 1.170 1497 I CB -1.822 36.236 38.000 0.097 0.000 1.057 1497 I HN 0.282 nan 8.210 nan 0.000 0.411 1498 N N 1.405 120.127 118.700 0.037 0.000 2.405 1498 N HA 0.043 4.783 4.740 0.000 0.000 0.175 1498 N C 1.309 176.729 175.510 -0.150 0.000 1.051 1498 N CA 0.224 53.249 53.050 -0.042 0.000 0.899 1498 N CB 0.588 39.047 38.487 -0.046 0.000 1.000 1498 N HN 0.373 nan 8.380 nan 0.000 0.451 1499 G N 0.599 109.218 108.800 -0.301 0.000 2.699 1499 G HA2 0.350 4.310 3.960 0.000 0.000 0.246 1499 G HA3 0.350 4.310 3.960 0.000 0.000 0.246 1499 G C -0.261 174.270 174.900 -0.614 0.000 1.219 1499 G CA -0.074 44.531 45.100 -0.826 0.000 0.866 1499 G HN -0.045 nan 8.290 nan 0.000 0.572 1500 V N 0.062 119.606 119.914 -0.617 0.000 2.735 1500 V HA 0.414 4.534 4.120 0.000 0.000 0.310 1500 V C -0.776 175.197 176.094 -0.202 0.000 1.061 1500 V CA -0.715 61.433 62.300 -0.253 0.000 0.913 1500 V CB 1.991 33.736 31.823 -0.130 0.000 1.005 1500 V HN 0.601 nan 8.190 nan 0.000 0.428 1501 F N 2.497 122.545 119.950 0.162 0.000 2.424 1501 F HA 0.537 5.064 4.527 0.000 0.000 0.356 1501 F C 0.147 175.982 175.800 0.057 0.000 1.110 1501 F CA -0.430 57.683 58.000 0.187 0.000 1.161 1501 F CB 1.524 40.668 39.000 0.241 0.000 1.115 1501 F HN 0.177 nan 8.300 nan 0.000 0.507 1502 V N 5.289 125.369 119.914 0.277 0.000 2.459 1502 V HA 0.206 4.326 4.120 0.000 0.000 0.295 1502 V C -0.363 175.818 176.094 0.144 0.000 1.029 1502 V CA -1.054 61.328 62.300 0.137 0.000 0.874 1502 V CB 1.495 33.364 31.823 0.077 0.000 0.985 1502 V HN 0.489 nan 8.190 nan 0.000 0.438 1503 F N 4.820 124.741 119.950 -0.049 0.000 2.495 1503 F HA 0.414 4.941 4.527 0.000 0.000 0.365 1503 F C 0.676 176.403 175.800 -0.122 0.000 1.090 1503 F CA 0.310 58.252 58.000 -0.096 0.000 1.235 1503 F CB 1.114 40.050 39.000 -0.106 0.000 1.119 1503 F HN 0.268 nan 8.300 nan 0.000 0.562 1504 V N 3.277 122.589 119.914 -1.002 0.000 2.721 1504 V HA 0.210 4.330 4.120 0.000 0.000 0.236 1504 V C 0.300 175.677 176.094 -1.194 0.000 1.116 1504 V CA 1.042 62.847 62.300 -0.825 0.000 1.148 1504 V CB 0.212 31.760 31.823 -0.458 0.000 0.886 1504 V HN 0.864 nan 8.190 nan 0.000 0.490 1505 S N -2.222 112.716 115.700 -1.269 0.000 2.565 1505 S HA 0.494 4.964 4.470 0.000 0.000 0.269 1505 S C -1.917 172.412 174.600 -0.452 0.000 1.153 1505 S CA -0.880 56.826 58.200 -0.823 0.000 0.835 1505 S CB 0.854 63.833 63.200 -0.369 0.000 1.122 1505 S HN 0.235 nan 8.310 nan 0.000 0.462 1506 W N 1.589 122.898 121.300 0.014 0.000 2.315 1506 W HA 0.591 5.251 4.660 0.000 0.000 0.316 1506 W C 0.295 176.768 176.519 -0.076 0.000 1.211 1506 W CA -0.322 57.050 57.345 0.046 0.000 1.201 1506 W CB 1.534 31.039 29.460 0.074 0.000 1.184 1506 W HN 0.734 nan 8.180 nan 0.000 0.544 1507 V N -0.224 119.768 119.914 0.130 0.000 3.167 1507 V HA 0.630 4.750 4.120 0.000 0.000 0.310 1507 V C -0.135 175.999 176.094 0.066 0.000 1.207 1507 V CA -1.274 61.056 62.300 0.051 0.000 1.059 1507 V CB 1.112 32.814 31.823 -0.202 0.000 1.079 1507 V HN 0.440 nan 8.190 nan 0.000 0.446 1508 S N -0.194 115.602 115.700 0.159 0.000 2.593 1508 S HA 0.281 4.751 4.470 0.000 0.000 0.269 1508 S C 1.153 175.740 174.600 -0.020 0.000 1.334 1508 S CA 0.316 58.575 58.200 0.098 0.000 1.015 1508 S CB 0.790 64.115 63.200 0.208 0.000 0.912 1508 S HN 0.972 nan 8.310 nan 0.000 0.541 1509 R N 1.859 122.238 120.500 -0.202 0.000 2.105 1509 R HA -0.081 4.259 4.340 0.000 0.000 0.239 1509 R C 0.632 176.704 176.300 -0.379 0.000 1.135 1509 R CA 1.748 57.625 56.100 -0.372 0.000 0.967 1509 R CB -0.333 29.556 30.300 -0.685 0.000 0.861 1509 R HN 0.775 nan 8.270 nan 0.000 0.442 1510 F N -0.220 119.752 119.950 0.036 0.000 2.777 1510 F HA 0.134 4.661 4.527 0.000 0.000 0.291 1510 F C 0.004 175.880 175.800 0.128 0.000 1.187 1510 F CA -0.849 57.112 58.000 -0.065 0.000 1.406 1510 F CB -0.094 38.852 39.000 -0.091 0.000 0.982 1510 F HN 0.011 nan 8.300 nan 0.000 0.509 1511 Y N 2.115 122.510 120.300 0.158 0.000 2.359 1511 Y HA 0.201 4.751 4.550 0.000 0.000 0.330 1511 Y C 0.297 176.325 175.900 0.212 0.000 1.143 1511 Y CA -0.591 57.619 58.100 0.184 0.000 1.318 1511 Y CB 0.564 39.075 38.460 0.085 0.000 1.234 1511 Y HN 0.108 nan 8.280 nan 0.000 0.522 1512 Q N 6.185 126.002 119.800 0.028 0.000 2.340 1512 Q HA 0.411 4.751 4.340 0.000 0.000 0.259 1512 Q C -1.462 174.595 176.000 0.095 0.000 0.964 1512 Q CA -0.605 55.299 55.803 0.168 0.000 0.900 1512 Q CB 0.731 29.558 28.738 0.148 0.000 1.228 1512 Q HN 0.778 nan 8.270 nan 0.000 0.449 1513 L N 3.276 124.631 121.223 0.220 0.000 2.436 1513 L HA 0.311 4.651 4.340 0.000 0.000 0.265 1513 L C 0.124 177.039 176.870 0.076 0.000 1.168 1513 L CA -0.398 54.551 54.840 0.182 0.000 0.815 1513 L CB 0.652 42.780 42.059 0.115 0.000 1.109 1513 L HN 0.501 nan 8.230 nan 0.000 0.462 1514 K N 3.345 123.778 120.400 0.056 0.000 2.339 1514 K HA 0.201 4.521 4.320 0.000 0.000 0.286 1514 K C -2.189 174.404 176.600 -0.012 0.000 1.050 1514 K CA -1.564 54.732 56.287 0.014 0.000 0.956 1514 K CB 0.194 32.706 32.500 0.020 0.000 0.990 1514 K HN 0.326 nan 8.250 nan 0.000 0.475 1515 P HA -0.067 nan 4.420 nan 0.000 0.265 1515 P C -0.404 176.875 177.300 -0.034 0.000 1.187 1515 P CA -0.031 63.059 63.100 -0.017 0.000 0.766 1515 P CB 0.550 32.252 31.700 0.003 0.000 0.820 1516 V N 1.844 121.723 119.914 -0.059 0.000 2.713 1516 V HA 0.707 4.827 4.120 0.000 0.000 0.307 1516 V C 1.041 177.135 176.094 0.000 0.000 1.052 1516 V CA 0.556 62.823 62.300 -0.056 0.000 0.967 1516 V CB 0.457 32.194 31.823 -0.143 0.000 1.019 1516 V HN 1.141 nan 8.190 nan 0.000 0.459 1517 G N 2.995 111.811 108.800 0.027 0.000 2.632 1517 G HA2 0.014 3.974 3.960 0.000 0.000 0.224 1517 G HA3 0.014 3.974 3.960 0.000 0.000 0.224 1517 G C -0.193 174.727 174.900 0.033 0.000 1.341 1517 G CA -0.209 44.916 45.100 0.042 0.000 0.880 1517 G HN 1.730 nan 8.290 nan 0.000 0.566 1518 T N -2.614 111.961 114.554 0.034 0.000 2.937 1518 T HA 0.888 5.238 4.350 0.000 0.000 0.297 1518 T C -0.117 174.600 174.700 0.027 0.000 0.991 1518 T CA 0.714 62.831 62.100 0.028 0.000 0.990 1518 T CB 1.659 70.544 68.868 0.028 0.000 0.991 1518 T HN 2.319 nan 8.240 nan 0.000 0.440 1519 A N 2.967 125.801 122.820 0.023 0.000 2.312 1519 A HA 0.938 5.258 4.320 0.000 0.000 0.326 1519 A C 0.335 177.931 177.584 0.019 0.000 1.172 1519 A CA -0.610 51.440 52.037 0.022 0.000 0.821 1519 A CB 0.759 19.771 19.000 0.020 0.000 1.166 1519 A HN 1.555 nan 8.150 nan 0.000 0.493 1520 S N 0.000 115.711 115.700 0.018 0.000 2.498 1520 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1520 S CA 0.000 58.210 58.200 0.016 0.000 1.107 1520 S CB 0.000 63.210 63.200 0.016 0.000 0.593 1520 S HN 0.000 nan 8.310 nan 0.000 0.517