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 1y5x_1_D DATA FIRST_RESID 1011 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTXXX XXXXXXXXXX DATA SEQUENCE XXGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSSLTKQSEE GVTFKSXXXX XRHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YF 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 1011 R HA 0.000 nan 4.340 nan 0.000 0.208 1011 R C 0.000 176.312 176.300 0.020 0.000 0.893 1011 R CA 0.000 56.102 56.100 0.004 0.000 0.921 1011 R CB 0.000 30.300 30.300 0.000 0.000 0.687 1012 P HA 0.198 nan 4.420 nan 0.000 0.276 1012 P C -0.072 177.281 177.300 0.089 0.000 1.252 1012 P CA -0.560 62.573 63.100 0.054 0.000 0.802 1012 P CB 1.178 32.910 31.700 0.053 0.000 1.035 1013 R N 0.046 120.621 120.500 0.125 0.000 2.083 1013 R HA -0.084 4.256 4.340 0.001 0.000 0.237 1013 R C -0.174 176.300 176.300 0.291 0.000 1.137 1013 R CA 1.286 57.494 56.100 0.179 0.000 0.951 1013 R CB -0.121 30.288 30.300 0.182 0.000 0.851 1013 R HN 0.548 nan 8.270 nan 0.000 0.434 1014 F N -1.135 118.871 119.950 0.093 0.000 2.650 1014 F HA 0.347 4.874 4.527 0.000 0.000 0.310 1014 F C -1.644 174.218 175.800 0.104 0.000 1.112 1014 F CA -0.556 57.510 58.000 0.110 0.000 0.986 1014 F CB 2.145 41.222 39.000 0.128 0.000 1.285 1014 F HN -0.131 nan 8.300 nan 0.000 0.440 1015 S N 5.670 121.125 115.700 -0.409 0.000 2.584 1015 S HA 0.493 4.963 4.470 0.001 0.000 0.282 1015 S C -2.272 172.171 174.600 -0.262 0.000 1.138 1015 S CA -0.406 57.688 58.200 -0.177 0.000 0.987 1015 S CB 0.442 63.606 63.200 -0.061 0.000 1.137 1015 S HN 0.665 nan 8.310 nan 0.000 0.457 1016 F N 5.292 125.073 119.950 -0.282 0.000 2.427 1016 F HA 0.775 5.302 4.527 0.001 0.000 0.346 1016 F C -0.187 175.555 175.800 -0.098 0.000 1.120 1016 F CA -0.513 57.362 58.000 -0.207 0.000 1.033 1016 F CB 1.793 40.737 39.000 -0.092 0.000 1.126 1016 F HN 0.563 nan 8.300 nan 0.000 0.462 1017 S N 6.551 121.880 115.700 -0.618 0.000 2.557 1017 S HA 0.684 5.154 4.470 0.001 0.000 0.291 1017 S C -0.927 173.229 174.600 -0.741 0.000 1.116 1017 S CA -0.802 57.053 58.200 -0.576 0.000 0.992 1017 S CB 1.171 64.207 63.200 -0.272 0.000 1.028 1017 S HN 0.563 nan 8.310 nan 0.000 0.484 1018 I N 3.205 123.392 120.570 -0.638 0.000 2.312 1018 I HA 0.395 4.566 4.170 0.001 0.000 0.291 1018 I C 1.198 177.171 176.117 -0.241 0.000 1.031 1018 I CA -0.639 60.393 61.300 -0.446 0.000 1.293 1018 I CB 1.437 39.233 38.000 -0.340 0.000 1.403 1018 I HN 0.962 nan 8.210 nan 0.000 0.484 1019 A N 5.394 128.106 122.820 -0.181 0.000 2.030 1019 A HA 0.611 4.931 4.320 0.001 0.000 0.215 1019 A C 0.958 178.489 177.584 -0.090 0.000 1.164 1019 A CA 0.855 52.820 52.037 -0.121 0.000 0.697 1019 A CB 0.159 19.099 19.000 -0.100 0.000 0.827 1019 A HN 0.745 nan 8.150 nan 0.000 0.457 1020 A N -1.168 121.600 122.820 -0.086 0.000 2.612 1020 A HA 0.770 5.090 4.320 0.001 0.000 0.293 1020 A C -0.660 176.892 177.584 -0.054 0.000 1.075 1020 A CA -0.760 51.241 52.037 -0.061 0.000 0.680 1020 A CB 1.075 20.043 19.000 -0.052 0.000 1.279 1020 A HN 0.283 nan 8.150 nan 0.000 0.411 1021 R N -0.172 120.310 120.500 -0.030 0.000 2.799 1021 R HA 0.769 5.109 4.340 0.001 0.000 0.270 1021 R C -1.393 174.915 176.300 0.014 0.000 1.010 1021 R CA -0.710 55.383 56.100 -0.013 0.000 0.916 1021 R CB 2.418 32.717 30.300 -0.003 0.000 1.228 1021 R HN 0.776 nan 8.270 nan 0.000 0.469 1022 E N 0.581 120.806 120.200 0.041 0.000 2.454 1022 E HA 0.283 4.633 4.350 0.001 0.000 0.315 1022 E C -0.240 176.425 176.600 0.108 0.000 0.907 1022 E CA 0.304 56.755 56.400 0.084 0.000 0.797 1022 E CB 0.964 30.747 29.700 0.138 0.000 1.396 1022 E HN 0.815 nan 8.360 nan 0.000 0.389 1023 G N 4.334 113.184 108.800 0.082 0.000 2.550 1023 G HA2 -0.384 3.576 3.960 0.001 0.000 0.277 1023 G HA3 -0.384 3.576 3.960 0.001 0.000 0.277 1023 G C 0.563 175.508 174.900 0.075 0.000 1.190 1023 G CA 0.432 45.581 45.100 0.081 0.000 0.971 1023 G HN 0.550 nan 8.290 nan 0.000 0.559 1024 K N 1.264 121.715 120.400 0.084 0.000 2.418 1024 K HA 0.479 4.800 4.320 0.001 0.000 0.195 1024 K C 1.425 178.072 176.600 0.078 0.000 1.035 1024 K CA 0.568 56.902 56.287 0.077 0.000 1.003 1024 K CB 0.163 32.704 32.500 0.068 0.000 0.793 1024 K HN 0.805 nan 8.250 nan 0.000 0.494 1025 A N 2.002 124.869 122.820 0.078 0.000 2.425 1025 A HA 0.306 4.626 4.320 0.001 0.000 0.249 1025 A C -0.342 177.220 177.584 -0.036 0.000 1.084 1025 A CA -0.082 51.950 52.037 -0.009 0.000 0.781 1025 A CB 0.248 19.176 19.000 -0.120 0.000 1.019 1025 A HN 0.164 nan 8.150 nan 0.000 0.490 1026 R N 0.241 120.711 120.500 -0.050 0.000 2.795 1026 R HA 0.769 5.109 4.340 0.001 0.000 0.275 1026 R C -0.603 175.665 176.300 -0.053 0.000 0.981 1026 R CA -0.447 55.634 56.100 -0.032 0.000 0.917 1026 R CB 1.963 32.283 30.300 0.034 0.000 1.202 1026 R HN 0.642 nan 8.270 nan 0.000 0.469 1027 T N -0.152 114.364 114.554 -0.063 0.000 2.916 1027 T HA 0.810 5.161 4.350 0.001 0.000 0.298 1027 T C -0.541 174.120 174.700 -0.064 0.000 1.031 1027 T CA 0.063 62.127 62.100 -0.060 0.000 0.993 1027 T CB 1.352 70.160 68.868 -0.100 0.000 1.045 1027 T HN 0.771 nan 8.240 nan 0.000 0.454 1028 G N 2.010 110.793 108.800 -0.029 0.000 2.474 1028 G HA2 0.629 4.589 3.960 0.001 0.000 0.234 1028 G HA3 0.629 4.589 3.960 0.001 0.000 0.234 1028 G C -0.794 174.099 174.900 -0.013 0.000 1.204 1028 G CA 0.103 45.149 45.100 -0.090 0.000 0.939 1028 G HN 1.259 nan 8.290 nan 0.000 0.491 1029 T N -1.850 112.681 114.554 -0.037 0.000 2.923 1029 T HA 0.704 5.054 4.350 0.001 0.000 0.311 1029 T C -1.164 173.596 174.700 0.099 0.000 1.183 1029 T CA -0.542 61.580 62.100 0.036 0.000 1.020 1029 T CB 1.830 70.682 68.868 -0.027 0.000 1.165 1029 T HN 0.624 nan 8.240 nan 0.000 0.482 1030 I N 1.867 122.481 120.570 0.073 0.000 2.362 1030 I HA 0.360 4.530 4.170 0.001 0.000 0.289 1030 I C 0.104 176.148 176.117 -0.121 0.000 0.994 1030 I CA -0.677 60.584 61.300 -0.064 0.000 1.158 1030 I CB 1.605 39.544 38.000 -0.101 0.000 1.315 1030 I HN 0.652 nan 8.210 nan 0.000 0.451 1031 E N 7.709 127.801 120.200 -0.180 0.000 2.156 1031 E HA 0.573 4.923 4.350 0.001 0.000 0.279 1031 E C -0.813 175.734 176.600 -0.088 0.000 0.965 1031 E CA -0.444 55.895 56.400 -0.102 0.000 0.789 1031 E CB 1.991 31.647 29.700 -0.074 0.000 1.098 1031 E HN 0.484 nan 8.360 nan 0.000 0.397 1032 M N 1.541 121.135 119.600 -0.010 0.000 2.691 1032 M HA 0.303 4.783 4.480 0.001 0.000 0.293 1032 M C 0.918 177.246 176.300 0.046 0.000 1.259 1032 M CA -0.805 54.531 55.300 0.061 0.000 0.827 1032 M CB 1.859 34.531 32.600 0.119 0.000 1.753 1032 M HN 0.250 nan 8.290 nan 0.000 0.465 1033 K N 0.322 120.759 120.400 0.062 0.000 2.057 1033 K HA -0.076 4.244 4.320 0.001 0.000 0.207 1033 K C 1.564 178.165 176.600 0.001 0.000 1.049 1033 K CA 1.492 57.796 56.287 0.028 0.000 0.931 1033 K CB -0.004 32.514 32.500 0.029 0.000 0.714 1033 K HN 0.468 nan 8.250 nan 0.000 0.440 1034 R N 0.072 120.576 120.500 0.006 0.000 2.307 1034 R HA 0.041 4.381 4.340 0.001 0.000 0.199 1034 R C 0.642 176.925 176.300 -0.028 0.000 1.000 1034 R CA 0.414 56.499 56.100 -0.025 0.000 1.023 1034 R CB 0.509 30.801 30.300 -0.014 0.000 0.908 1034 R HN 0.243 nan 8.270 nan 0.000 0.473 1035 G N -0.824 107.973 108.800 -0.005 0.000 2.320 1035 G HA2 0.122 4.082 3.960 0.001 0.000 0.297 1035 G HA3 0.122 4.082 3.960 0.001 0.000 0.297 1035 G C -1.696 173.204 174.900 0.000 0.000 1.344 1035 G CA -0.965 44.125 45.100 -0.015 0.000 0.851 1035 G HN -0.099 nan 8.290 nan 0.000 0.567 1036 V N 0.588 120.498 119.914 -0.006 0.000 2.435 1036 V HA 0.607 4.727 4.120 0.001 0.000 0.290 1036 V C 0.129 176.232 176.094 0.016 0.000 1.030 1036 V CA -0.514 61.784 62.300 -0.004 0.000 0.881 1036 V CB 1.385 33.199 31.823 -0.014 0.000 0.983 1036 V HN 0.582 nan 8.190 nan 0.000 0.445 1037 I N 5.053 125.636 120.570 0.020 0.000 2.355 1037 I HA 0.471 4.642 4.170 0.001 0.000 0.288 1037 I C 0.257 176.400 176.117 0.044 0.000 0.999 1037 I CA -0.508 60.815 61.300 0.039 0.000 1.163 1037 I CB 1.335 39.358 38.000 0.039 0.000 1.316 1037 I HN 0.500 nan 8.210 nan 0.000 0.454 1038 R N 3.928 124.455 120.500 0.044 0.000 2.340 1038 R HA 0.411 4.751 4.340 0.001 0.000 0.300 1038 R C -0.016 176.320 176.300 0.061 0.000 1.069 1038 R CA -0.248 55.877 56.100 0.041 0.000 0.984 1038 R CB 1.087 31.402 30.300 0.025 0.000 1.003 1038 R HN 0.656 nan 8.270 nan 0.000 0.459 1039 T N 0.449 115.048 114.554 0.076 0.000 2.908 1039 T HA 0.480 4.831 4.350 0.001 0.000 0.290 1039 T C -2.644 172.088 174.700 0.054 0.000 1.034 1039 T CA -2.864 59.293 62.100 0.095 0.000 1.010 1039 T CB 2.172 71.135 68.868 0.157 0.000 1.068 1039 T HN 0.185 nan 8.240 nan 0.000 0.481 1040 P HA 0.416 nan 4.420 nan 0.000 0.265 1040 P C -0.996 176.397 177.300 0.155 0.000 1.193 1040 P CA -0.103 63.077 63.100 0.133 0.000 0.765 1040 P CB 0.368 32.161 31.700 0.155 0.000 0.823 1041 A N 3.244 126.188 122.820 0.207 0.000 2.380 1041 A HA 0.727 5.048 4.320 0.001 0.000 0.315 1041 A C -1.481 176.293 177.584 0.317 0.000 1.101 1041 A CA -0.469 51.682 52.037 0.191 0.000 0.771 1041 A CB 0.766 19.819 19.000 0.088 0.000 1.287 1041 A HN 0.452 nan 8.150 nan 0.000 0.436 1042 F N 1.625 121.647 119.950 0.121 0.000 2.482 1042 F HA 0.702 5.229 4.527 0.000 0.000 0.331 1042 F C -0.437 175.393 175.800 0.050 0.000 1.115 1042 F CA -1.055 57.025 58.000 0.134 0.000 0.955 1042 F CB 1.668 40.745 39.000 0.128 0.000 1.136 1042 F HN 0.465 nan 8.300 nan 0.000 0.452 1043 M N 9.216 128.347 119.600 -0.782 0.000 2.044 1043 M HA 0.353 4.833 4.480 0.001 0.000 0.333 1043 M C -2.633 173.159 176.300 -0.846 0.000 1.004 1043 M CA -1.809 53.129 55.300 -0.604 0.000 0.954 1043 M CB 1.316 33.651 32.600 -0.443 0.000 1.468 1043 M HN 0.306 nan 8.290 nan 0.000 0.414 1044 P HA 0.218 nan 4.420 nan 0.000 0.279 1044 P C -0.336 176.788 177.300 -0.294 0.000 1.252 1044 P CA -0.486 62.396 63.100 -0.363 0.000 0.811 1044 P CB 1.056 32.700 31.700 -0.092 0.000 1.035 1045 V N -0.604 119.189 119.914 -0.203 0.000 2.529 1045 V HA 0.273 4.393 4.120 0.001 0.000 0.292 1045 V C 1.746 177.715 176.094 -0.208 0.000 1.028 1045 V CA 0.650 62.843 62.300 -0.178 0.000 1.074 1045 V CB -0.512 31.246 31.823 -0.109 0.000 0.958 1045 V HN 0.758 nan 8.190 nan 0.000 0.481 1046 G N 3.919 112.562 108.800 -0.260 0.000 2.509 1046 G HA2 -0.000 3.960 3.960 0.001 0.000 0.218 1046 G HA3 -0.000 3.960 3.960 0.001 0.000 0.218 1046 G C 0.742 175.521 174.900 -0.201 0.000 1.124 1046 G CA 0.858 45.765 45.100 -0.321 0.000 0.776 1046 G HN 1.097 nan 8.290 nan 0.000 0.547 1064 A N 0.790 123.720 122.820 0.183 0.000 2.462 1064 A HA 0.528 4.848 4.320 0.001 0.000 0.243 1064 A C 0.675 178.421 177.584 0.270 0.000 1.076 1064 A CA 0.490 52.645 52.037 0.196 0.000 0.773 1064 A CB 0.382 19.466 19.000 0.140 0.000 1.010 1064 A HN 0.083 nan 8.150 nan 0.000 0.493 1065 D N 0.329 120.855 120.400 0.210 0.000 2.389 1065 D HA 0.220 4.860 4.640 0.001 0.000 0.206 1065 D C 0.012 176.496 176.300 0.307 0.000 1.055 1065 D CA 0.790 54.914 54.000 0.208 0.000 0.856 1065 D CB 0.478 41.344 40.800 0.111 0.000 0.957 1065 D HN 0.525 nan 8.370 nan 0.000 0.509 1066 I N 0.794 121.531 120.570 0.278 0.000 2.787 1066 I HA 0.265 4.435 4.170 0.001 0.000 0.294 1066 I C -1.650 174.436 176.117 -0.051 0.000 1.365 1066 I CA -0.931 60.506 61.300 0.228 0.000 1.029 1066 I CB 2.133 40.177 38.000 0.073 0.000 1.313 1066 I HN -0.236 nan 8.210 nan 0.000 0.431 1067 I N 3.711 124.130 120.570 -0.252 0.000 3.067 1067 I HA 0.596 4.766 4.170 0.001 0.000 0.312 1067 I C -1.700 174.211 176.117 -0.343 0.000 1.073 1067 I CA -1.039 59.973 61.300 -0.479 0.000 1.016 1067 I CB 1.792 39.241 38.000 -0.919 0.000 1.227 1067 I HN 0.316 nan 8.210 nan 0.000 0.456 1068 L N 2.412 123.446 121.223 -0.315 0.000 2.325 1068 L HA 0.728 5.068 4.340 0.001 0.000 0.279 1068 L C 0.489 177.253 176.870 -0.177 0.000 1.054 1068 L CA 0.020 54.728 54.840 -0.220 0.000 0.804 1068 L CB 1.237 43.180 42.059 -0.193 0.000 1.200 1068 L HN 0.861 nan 8.230 nan 0.000 0.436 1069 G N 1.196 109.928 108.800 -0.114 0.000 2.420 1069 G HA2 0.282 4.242 3.960 0.001 0.000 0.331 1069 G HA3 0.282 4.242 3.960 0.001 0.000 0.331 1069 G C -0.583 174.312 174.900 -0.008 0.000 1.168 1069 G CA -0.419 44.644 45.100 -0.061 0.000 0.936 1069 G HN 0.513 nan 8.290 nan 0.000 0.479 1070 N N 1.374 120.097 118.700 0.039 0.000 2.678 1070 N HA 0.121 4.862 4.740 0.001 0.000 0.231 1070 N C 1.445 177.027 175.510 0.120 0.000 1.038 1070 N CA -0.264 52.840 53.050 0.091 0.000 0.932 1070 N CB 0.899 39.459 38.487 0.122 0.000 1.176 1070 N HN 0.330 nan 8.380 nan 0.000 0.511 1071 T N 2.285 116.901 114.554 0.102 0.000 2.597 1071 T HA -0.234 4.116 4.350 0.001 0.000 0.267 1071 T C 1.421 176.179 174.700 0.098 0.000 1.053 1071 T CA 1.487 63.641 62.100 0.090 0.000 1.165 1071 T CB -0.615 68.317 68.868 0.107 0.000 0.863 1071 T HN 0.640 nan 8.240 nan 0.000 0.427 1072 Y N 1.214 121.545 120.300 0.053 0.000 2.040 1072 Y HA -0.330 4.221 4.550 0.000 0.000 0.275 1072 Y C 2.632 178.559 175.900 0.044 0.000 1.171 1072 Y CA 2.384 60.506 58.100 0.037 0.000 1.123 1072 Y CB -0.710 37.769 38.460 0.031 0.000 0.963 1072 Y HN 0.416 nan 8.280 nan 0.000 0.493 1073 H N -0.398 118.731 119.070 0.098 0.000 2.326 1073 H HA -0.127 4.429 4.556 0.000 0.000 0.301 1073 H C 2.146 177.436 175.328 -0.064 0.000 1.081 1073 H CA 2.308 58.364 56.048 0.014 0.000 1.334 1073 H CB -0.520 29.301 29.762 0.099 0.000 1.385 1073 H HN 0.411 nan 8.280 nan 0.000 0.504 1074 L N 0.143 121.337 121.223 -0.047 0.000 2.079 1074 L HA -0.228 4.113 4.340 0.001 0.000 0.210 1074 L C 2.676 179.424 176.870 -0.203 0.000 1.081 1074 L CA 1.746 56.514 54.840 -0.120 0.000 0.752 1074 L CB -0.494 41.547 42.059 -0.029 0.000 0.896 1074 L HN 0.538 nan 8.230 nan 0.000 0.433 1075 M N -1.432 118.048 119.600 -0.199 0.000 2.296 1075 M HA -0.070 4.411 4.480 0.001 0.000 0.265 1075 M C 2.306 178.423 176.300 -0.305 0.000 1.064 1075 M CA 1.950 57.119 55.300 -0.219 0.000 1.109 1075 M CB -0.698 31.793 32.600 -0.182 0.000 1.396 1075 M HN 0.088 nan 8.290 nan 0.000 0.430 1076 L N 0.515 121.503 121.223 -0.392 0.000 2.270 1076 L HA 0.472 4.812 4.340 0.001 0.000 0.210 1076 L C 1.584 178.267 176.870 -0.312 0.000 1.104 1076 L CA 1.485 56.093 54.840 -0.386 0.000 0.804 1076 L CB -1.618 40.193 42.059 -0.413 0.000 0.937 1076 L HN 0.661 nan 8.230 nan 0.000 0.450 1077 R N 0.217 120.480 120.500 -0.394 0.000 2.572 1077 R HA 0.551 4.891 4.340 0.001 0.000 0.273 1077 R C -2.776 173.367 176.300 -0.262 0.000 1.168 1077 R CA -0.074 55.841 56.100 -0.309 0.000 1.021 1077 R CB -0.399 29.714 30.300 -0.313 0.000 1.249 1077 R HN 0.197 nan 8.270 nan 0.000 0.423 1078 P HA 0.211 nan 4.420 nan 0.000 0.253 1078 P C 0.470 177.676 177.300 -0.156 0.000 1.260 1078 P CA 0.948 63.963 63.100 -0.142 0.000 0.800 1078 P CB 0.462 32.086 31.700 -0.127 0.000 1.162 1079 G N -0.014 108.675 108.800 -0.186 0.000 2.784 1079 G HA2 0.032 3.992 3.960 0.001 0.000 0.686 1079 G HA3 0.032 3.992 3.960 0.001 0.000 0.686 1079 G C 0.738 175.540 174.900 -0.162 0.000 1.156 1079 G CA -0.472 44.530 45.100 -0.163 0.000 0.757 1079 G HN 0.164 nan 8.290 nan 0.000 0.642 1080 A N 1.013 123.750 122.820 -0.138 0.000 1.917 1080 A HA -0.020 4.300 4.320 0.001 0.000 0.219 1080 A C 2.177 179.687 177.584 -0.125 0.000 1.182 1080 A CA 2.617 54.579 52.037 -0.125 0.000 0.633 1080 A CB -0.451 18.494 19.000 -0.090 0.000 0.819 1080 A HN 1.084 nan 8.150 nan 0.000 0.448 1081 E N -0.421 119.716 120.200 -0.104 0.000 2.033 1081 E HA -0.212 4.138 4.350 0.001 0.000 0.199 1081 E C 2.215 178.751 176.600 -0.107 0.000 1.011 1081 E CA 1.664 58.010 56.400 -0.091 0.000 0.815 1081 E CB -0.221 29.436 29.700 -0.072 0.000 0.755 1081 E HN 0.447 nan 8.360 nan 0.000 0.451 1082 R N -0.093 120.334 120.500 -0.122 0.000 2.091 1082 R HA -0.062 4.278 4.340 0.001 0.000 0.238 1082 R C 2.225 178.410 176.300 -0.192 0.000 1.136 1082 R CA 0.963 56.982 56.100 -0.136 0.000 0.959 1082 R CB -0.618 29.600 30.300 -0.137 0.000 0.856 1082 R HN 0.237 nan 8.270 nan 0.000 0.437 1083 I N 0.276 120.689 120.570 -0.261 0.000 2.163 1083 I HA -0.252 3.918 4.170 0.001 0.000 0.243 1083 I C 2.189 178.185 176.117 -0.201 0.000 1.085 1083 I CA 1.724 62.816 61.300 -0.347 0.000 1.347 1083 I CB -1.424 36.366 38.000 -0.349 0.000 1.044 1083 I HN 0.174 nan 8.210 nan 0.000 0.408 1084 A N 1.128 123.857 122.820 -0.151 0.000 1.883 1084 A HA -0.296 4.024 4.320 0.001 0.000 0.217 1084 A C 2.441 179.974 177.584 -0.085 0.000 1.186 1084 A CA 2.395 54.364 52.037 -0.115 0.000 0.624 1084 A CB -0.724 18.203 19.000 -0.121 0.000 0.822 1084 A HN 0.489 nan 8.150 nan 0.000 0.444 1085 K N -0.164 120.185 120.400 -0.084 0.000 2.103 1085 K HA -0.060 4.260 4.320 0.001 0.000 0.207 1085 K C 1.585 178.160 176.600 -0.041 0.000 1.048 1085 K CA 1.582 57.834 56.287 -0.057 0.000 0.930 1085 K CB -0.398 32.069 32.500 -0.055 0.000 0.716 1085 K HN 0.442 nan 8.250 nan 0.000 0.444 1086 L N -0.301 120.886 121.223 -0.060 0.000 2.551 1086 L HA 0.053 4.393 4.340 0.001 0.000 0.228 1086 L C 1.217 178.103 176.870 0.026 0.000 1.153 1086 L CA 0.774 55.606 54.840 -0.014 0.000 0.851 1086 L CB -0.104 41.927 42.059 -0.046 0.000 0.959 1086 L HN 0.765 nan 8.230 nan 0.000 0.451 1087 G N -1.011 107.790 108.800 0.002 0.000 2.192 1087 G HA2 -0.006 3.954 3.960 0.001 0.000 0.193 1087 G HA3 -0.006 3.954 3.960 0.001 0.000 0.193 1087 G C 0.509 175.436 174.900 0.046 0.000 0.999 1087 G CA -0.303 44.814 45.100 0.029 0.000 0.659 1087 G HN 0.800 nan 8.290 nan 0.000 0.503 1088 G N -1.612 107.201 108.800 0.021 0.000 2.663 1088 G HA2 0.192 4.153 3.960 0.001 0.000 0.686 1088 G HA3 0.192 4.153 3.960 0.001 0.000 0.686 1088 G C 0.407 175.376 174.900 0.115 0.000 1.246 1088 G CA -0.108 45.022 45.100 0.051 0.000 0.795 1088 G HN 1.352 nan 8.290 nan 0.000 0.627 1089 L N 0.589 121.873 121.223 0.100 0.000 2.079 1089 L HA 0.030 4.370 4.340 0.001 0.000 0.210 1089 L C 2.594 179.543 176.870 0.131 0.000 1.081 1089 L CA 3.106 58.011 54.840 0.109 0.000 0.752 1089 L CB -0.966 41.092 42.059 -0.003 0.000 0.896 1089 L HN 0.763 nan 8.230 nan 0.000 0.433 1090 H N -2.040 117.131 119.070 0.167 0.000 2.290 1090 H HA -0.148 4.409 4.556 0.001 0.000 0.298 1090 H C 2.549 177.981 175.328 0.173 0.000 1.087 1090 H CA 1.924 58.086 56.048 0.190 0.000 1.291 1090 H CB -0.464 29.381 29.762 0.137 0.000 1.369 1090 H HN 0.370 nan 8.280 nan 0.000 0.492 1091 S N -0.432 115.430 115.700 0.270 0.000 2.355 1091 S HA -0.189 4.281 4.470 0.001 0.000 0.222 1091 S C 2.059 176.790 174.600 0.219 0.000 1.031 1091 S CA 1.064 59.383 58.200 0.198 0.000 0.993 1091 S CB -0.527 62.768 63.200 0.158 0.000 0.859 1091 S HN 0.345 nan 8.310 nan 0.000 0.453 1092 F N 2.010 121.998 119.950 0.063 0.000 2.065 1092 F HA -0.035 4.492 4.527 0.000 0.000 0.298 1092 F C 2.168 177.996 175.800 0.046 0.000 1.112 1092 F CA 1.997 60.022 58.000 0.041 0.000 1.212 1092 F CB -0.452 38.562 39.000 0.024 0.000 0.975 1092 F HN 0.242 nan 8.300 nan 0.000 0.476 1093 M N -0.734 118.918 119.600 0.087 0.000 2.558 1093 M HA 0.180 4.660 4.480 0.001 0.000 0.255 1093 M C 1.253 177.588 176.300 0.059 0.000 1.113 1093 M CA 0.878 56.165 55.300 -0.021 0.000 1.097 1093 M CB -0.318 32.299 32.600 0.028 0.000 1.426 1093 M HN 0.334 nan 8.290 nan 0.000 0.488 1094 G N 1.083 109.954 108.800 0.118 0.000 2.225 1094 G HA2 -0.234 3.726 3.960 0.001 0.000 0.264 1094 G HA3 -0.234 3.726 3.960 0.001 0.000 0.264 1094 G C -0.708 174.334 174.900 0.236 0.000 1.060 1094 G CA -0.160 45.020 45.100 0.134 0.000 0.833 1094 G HN 0.643 nan 8.290 nan 0.000 0.498 1095 W N 1.576 122.903 121.300 0.044 0.000 2.587 1095 W HA 0.469 5.129 4.660 0.000 0.000 0.324 1095 W C 0.060 176.670 176.519 0.152 0.000 1.008 1095 W CA -0.254 57.124 57.345 0.055 0.000 1.265 1095 W CB 1.130 30.592 29.460 0.003 0.000 1.328 1095 W HN 0.296 nan 8.180 nan 0.000 0.432 1096 D N 3.114 123.401 120.400 -0.188 0.000 2.339 1096 D HA 0.072 4.712 4.640 0.001 0.000 0.217 1096 D C 0.507 176.675 176.300 -0.220 0.000 1.050 1096 D CA 0.250 54.188 54.000 -0.104 0.000 0.856 1096 D CB 0.403 41.128 40.800 -0.126 0.000 0.922 1096 D HN 0.144 nan 8.370 nan 0.000 0.518 1097 R N 0.098 120.204 120.500 -0.657 0.000 2.606 1097 R HA 0.472 4.812 4.340 0.001 0.000 0.249 1097 R C -2.420 174.023 176.300 0.239 0.000 1.127 1097 R CA -2.099 53.781 56.100 -0.367 0.000 1.133 1097 R CB 0.173 30.059 30.300 -0.689 0.000 1.243 1097 R HN -0.044 nan 8.270 nan 0.000 0.558 1098 P HA -0.011 nan 4.420 nan 0.000 0.266 1098 P C -0.793 176.775 177.300 0.446 0.000 1.193 1098 P CA 0.822 64.138 63.100 0.361 0.000 0.770 1098 P CB 0.441 32.269 31.700 0.213 0.000 0.836 1099 I N 2.218 122.954 120.570 0.277 0.000 2.619 1099 I HA 0.401 4.571 4.170 0.001 0.000 0.292 1099 I C -0.491 175.628 176.117 0.004 0.000 1.100 1099 I CA -0.914 60.422 61.300 0.062 0.000 1.043 1099 I CB 2.058 39.998 38.000 -0.100 0.000 1.239 1099 I HN 0.179 nan 8.210 nan 0.000 0.420 1100 L N 5.691 126.861 121.223 -0.089 0.000 2.334 1100 L HA 0.729 5.069 4.340 0.001 0.000 0.276 1100 L C -0.479 176.334 176.870 -0.094 0.000 1.014 1100 L CA -0.031 54.735 54.840 -0.124 0.000 0.815 1100 L CB 1.982 43.892 42.059 -0.248 0.000 1.268 1100 L HN 0.751 nan 8.230 nan 0.000 0.428 1101 T N -0.637 113.887 114.554 -0.050 0.000 2.876 1101 T HA 0.416 4.766 4.350 0.001 0.000 0.289 1101 T C -0.623 174.087 174.700 0.016 0.000 1.014 1101 T CA -0.861 61.235 62.100 -0.008 0.000 0.986 1101 T CB 1.837 70.721 68.868 0.026 0.000 1.021 1101 T HN 0.505 nan 8.240 nan 0.000 0.458 1102 D N 0.519 120.943 120.400 0.040 0.000 2.383 1102 D HA 0.283 4.924 4.640 0.001 0.000 0.248 1102 D C 1.521 177.883 176.300 0.104 0.000 1.170 1102 D CA -0.420 53.616 54.000 0.061 0.000 0.977 1102 D CB 1.569 42.404 40.800 0.060 0.000 1.120 1102 D HN 0.611 nan 8.370 nan 0.000 0.481 1103 S N 0.183 115.959 115.700 0.128 0.000 2.481 1103 S HA 0.144 4.615 4.470 0.001 0.000 0.231 1103 S C 1.630 176.418 174.600 0.312 0.000 0.996 1103 S CA 0.657 58.994 58.200 0.229 0.000 0.942 1103 S CB 0.063 63.425 63.200 0.271 0.000 0.768 1103 S HN 0.860 nan 8.310 nan 0.000 0.520 1104 G N 0.515 109.463 108.800 0.247 0.000 2.234 1104 G HA2 -0.225 3.735 3.960 0.001 0.000 0.235 1104 G HA3 -0.225 3.735 3.960 0.001 0.000 0.235 1104 G C 0.991 176.062 174.900 0.284 0.000 0.997 1104 G CA 0.181 45.453 45.100 0.287 0.000 0.623 1104 G HN 0.867 nan 8.290 nan 0.000 0.514 1105 G N 0.216 109.152 108.800 0.226 0.000 2.511 1105 G HA2 -0.107 3.853 3.960 0.001 0.000 0.216 1105 G HA3 -0.107 3.853 3.960 0.001 0.000 0.216 1105 G C 1.405 176.320 174.900 0.026 0.000 1.218 1105 G CA 1.754 46.863 45.100 0.015 0.000 0.788 1105 G HN 0.843 nan 8.290 nan 0.000 0.560 1106 Y N 1.557 121.804 120.300 -0.089 0.000 2.114 1106 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 1106 Y C 3.138 178.955 175.900 -0.138 0.000 1.165 1106 Y CA 2.565 60.607 58.100 -0.097 0.000 1.148 1106 Y CB -0.272 38.136 38.460 -0.088 0.000 0.972 1106 Y HN 0.343 nan 8.280 nan 0.000 0.504 1107 Q N -0.837 118.953 119.800 -0.016 0.000 2.170 1107 Q HA -0.171 4.169 4.340 0.001 0.000 0.203 1107 Q C 2.304 177.872 176.000 -0.720 0.000 0.976 1107 Q CA 1.844 57.456 55.803 -0.318 0.000 0.858 1107 Q CB -0.315 28.337 28.738 -0.143 0.000 0.907 1107 Q HN 0.414 nan 8.270 nan 0.000 0.433 1108 V N 1.953 121.615 119.914 -0.421 0.000 2.244 1108 V HA -0.316 3.804 4.120 0.001 0.000 0.244 1108 V C 2.422 178.305 176.094 -0.352 0.000 1.042 1108 V CA 2.104 64.156 62.300 -0.414 0.000 1.006 1108 V CB -0.818 30.799 31.823 -0.343 0.000 0.641 1108 V HN 0.567 nan 8.190 nan 0.000 0.446 1109 M N -0.016 119.432 119.600 -0.254 0.000 2.153 1109 M HA -0.221 4.259 4.480 0.001 0.000 0.253 1109 M C 1.931 178.092 176.300 -0.231 0.000 1.081 1109 M CA 2.536 57.719 55.300 -0.194 0.000 1.076 1109 M CB -0.914 31.577 32.600 -0.181 0.000 1.350 1109 M HN 0.280 nan 8.290 nan 0.000 0.401 1110 S N 1.590 117.081 115.700 -0.349 0.000 2.359 1110 S HA 0.023 4.493 4.470 0.001 0.000 0.186 1110 S C 1.772 176.239 174.600 -0.221 0.000 1.163 1110 S CA 0.879 58.896 58.200 -0.305 0.000 1.479 1110 S CB -0.754 62.212 63.200 -0.390 0.000 0.880 1110 S HN 0.602 nan 8.310 nan 0.000 0.395 1111 L N 2.013 123.077 121.223 -0.264 0.000 2.089 1111 L HA -0.060 4.280 4.340 0.001 0.000 0.213 1111 L C 1.279 178.125 176.870 -0.041 0.000 1.079 1111 L CA 1.492 56.249 54.840 -0.140 0.000 0.758 1111 L CB -1.320 40.654 42.059 -0.142 0.000 0.891 1111 L HN 0.396 nan 8.230 nan 0.000 0.433 1112 S N -0.321 115.337 115.700 -0.071 0.000 2.576 1112 S HA 0.166 4.636 4.470 0.001 0.000 0.272 1112 S C 0.258 174.895 174.600 0.061 0.000 1.352 1112 S CA -0.217 58.015 58.200 0.054 0.000 1.021 1112 S CB 0.592 63.755 63.200 -0.063 0.000 0.887 1112 S HN 0.524 nan 8.310 nan 0.000 0.542 1113 S N 1.757 117.538 115.700 0.135 0.000 2.667 1113 S HA 0.607 5.077 4.470 0.001 0.000 0.292 1113 S C -0.431 174.253 174.600 0.140 0.000 1.126 1113 S CA -0.664 57.600 58.200 0.107 0.000 0.881 1113 S CB 1.312 64.566 63.200 0.089 0.000 1.132 1113 S HN 1.264 nan 8.310 nan 0.000 0.492 1114 L N 1.398 122.682 121.223 0.102 0.000 3.843 1114 L HA -0.151 4.190 4.340 0.001 0.000 0.411 1114 L C 0.426 177.376 176.870 0.133 0.000 1.205 1114 L CA 1.033 55.933 54.840 0.101 0.000 0.945 1114 L CB -2.323 39.792 42.059 0.094 0.000 1.929 1114 L HN 0.980 nan 8.230 nan 0.000 0.934 1115 T N -1.690 112.945 114.554 0.135 0.000 2.905 1115 T HA 0.278 4.628 4.350 0.001 0.000 0.299 1115 T C 0.184 174.969 174.700 0.143 0.000 1.024 1115 T CA 0.050 62.246 62.100 0.160 0.000 1.151 1115 T CB 1.062 69.997 68.868 0.111 0.000 0.987 1115 T HN 0.433 nan 8.240 nan 0.000 0.535 1116 K N 2.336 122.840 120.400 0.173 0.000 2.394 1116 K HA 0.420 4.740 4.320 0.001 0.000 0.260 1116 K C -0.525 176.179 176.600 0.173 0.000 0.967 1116 K CA -0.559 55.814 56.287 0.144 0.000 0.855 1116 K CB 1.689 34.261 32.500 0.121 0.000 1.101 1116 K HN 0.688 nan 8.250 nan 0.000 0.433 1117 Q N 1.568 121.463 119.800 0.157 0.000 2.221 1117 Q HA 0.716 5.056 4.340 0.001 0.000 0.242 1117 Q C -1.220 174.892 176.000 0.186 0.000 0.940 1117 Q CA 0.175 56.094 55.803 0.194 0.000 0.896 1117 Q CB 1.484 30.312 28.738 0.150 0.000 1.226 1117 Q HN 0.820 nan 8.270 nan 0.000 0.463 1118 S N 0.115 115.965 115.700 0.251 0.000 2.712 1118 S HA 0.100 4.570 4.470 0.001 0.000 0.279 1118 S C -0.092 174.718 174.600 0.349 0.000 1.025 1118 S CA -0.615 57.720 58.200 0.225 0.000 0.861 1118 S CB 0.465 63.770 63.200 0.173 0.000 1.091 1118 S HN 0.552 nan 8.310 nan 0.000 0.457 1119 E N 0.722 121.086 120.200 0.273 0.000 2.331 1119 E HA -0.102 4.249 4.350 0.001 0.000 0.199 1119 E C 1.502 178.403 176.600 0.501 0.000 1.008 1119 E CA 1.962 58.579 56.400 0.361 0.000 0.843 1119 E CB -0.040 29.785 29.700 0.207 0.000 0.761 1119 E HN 0.639 nan 8.360 nan 0.000 0.507 1120 E N -0.831 119.554 120.200 0.309 0.000 2.072 1120 E HA 0.082 4.432 4.350 0.001 0.000 0.190 1120 E C 0.903 177.535 176.600 0.054 0.000 0.982 1120 E CA 1.318 57.819 56.400 0.168 0.000 0.803 1120 E CB -0.001 29.753 29.700 0.090 0.000 0.755 1120 E HN 0.230 nan 8.360 nan 0.000 0.453 1121 G N -1.489 107.400 108.800 0.149 0.000 2.566 1121 G HA2 0.238 4.198 3.960 0.001 0.000 0.138 1121 G HA3 0.238 4.198 3.960 0.001 0.000 0.138 1121 G C -1.531 173.502 174.900 0.222 0.000 1.133 1121 G CA -0.222 44.849 45.100 -0.048 0.000 1.037 1121 G HN 0.403 nan 8.290 nan 0.000 0.491 1122 V N 0.427 120.457 119.914 0.192 0.000 2.709 1122 V HA 0.813 4.933 4.120 0.001 0.000 0.308 1122 V C -0.633 175.643 176.094 0.304 0.000 1.062 1122 V CA 0.033 62.516 62.300 0.305 0.000 0.901 1122 V CB 1.919 33.982 31.823 0.399 0.000 1.003 1122 V HN 1.032 nan 8.190 nan 0.000 0.425 1123 T N 7.262 121.984 114.554 0.281 0.000 2.888 1123 T HA 0.898 5.249 4.350 0.001 0.000 0.284 1123 T C -0.926 173.985 174.700 0.351 0.000 1.017 1123 T CA -0.079 62.142 62.100 0.202 0.000 1.022 1123 T CB 1.241 70.160 68.868 0.084 0.000 1.013 1123 T HN 0.935 nan 8.240 nan 0.000 0.465 1124 F N 0.296 120.307 119.950 0.100 0.000 2.900 1124 F HA 0.626 5.153 4.527 0.000 0.000 0.321 1124 F C -0.052 175.818 175.800 0.117 0.000 1.160 1124 F CA -1.171 56.897 58.000 0.114 0.000 0.890 1124 F CB 0.901 39.994 39.000 0.154 0.000 1.334 1124 F HN 0.427 nan 8.300 nan 0.000 0.459 1125 K N -0.064 120.484 120.400 0.247 0.000 2.548 1125 K HA 0.312 4.632 4.320 0.001 0.000 0.209 1125 K C 0.045 176.844 176.600 0.333 0.000 1.420 1125 K CA 0.527 56.887 56.287 0.123 0.000 0.985 1125 K CB -0.223 32.290 32.500 0.023 0.000 1.249 1125 K HN 0.562 nan 8.250 nan 0.000 0.557 1133 H N 1.762 120.502 119.070 -0.550 0.000 3.012 1133 H HA 0.760 5.316 4.556 0.000 0.000 0.367 1133 H C -1.044 173.880 175.328 -0.674 0.000 1.211 1133 H CA -0.924 54.700 56.048 -0.705 0.000 1.139 1133 H CB 2.121 31.221 29.762 -1.104 0.000 1.838 1133 H HN 0.712 nan 8.280 nan 0.000 0.550 1134 M N 2.702 122.161 119.600 -0.236 0.000 2.326 1134 M HA 0.457 4.937 4.480 0.001 0.000 0.306 1134 M C -2.177 174.104 176.300 -0.031 0.000 1.054 1134 M CA -0.812 54.427 55.300 -0.103 0.000 0.922 1134 M CB 1.415 33.963 32.600 -0.088 0.000 1.632 1134 M HN 0.380 nan 8.290 nan 0.000 0.436 1135 L N 4.752 126.003 121.223 0.046 0.000 2.381 1135 L HA 0.923 5.264 4.340 0.001 0.000 0.274 1135 L C -1.125 175.459 176.870 -0.476 0.000 0.988 1135 L CA 0.359 55.134 54.840 -0.108 0.000 0.824 1135 L CB 1.952 44.111 42.059 0.166 0.000 1.263 1135 L HN 0.969 nan 8.230 nan 0.000 0.410 1136 S N 3.336 118.565 115.700 -0.785 0.000 2.651 1136 S HA 0.703 5.174 4.470 0.001 0.000 0.279 1136 S C -2.531 171.389 174.600 -1.134 0.000 1.148 1136 S CA -1.239 56.362 58.200 -0.998 0.000 0.837 1136 S CB 1.677 64.587 63.200 -0.484 0.000 1.138 1136 S HN 0.368 nan 8.310 nan 0.000 0.478 1137 P HA -0.135 nan 4.420 nan 0.000 0.216 1137 P C 0.962 178.135 177.300 -0.212 0.000 1.157 1137 P CA 1.648 64.553 63.100 -0.324 0.000 0.880 1137 P CB -0.016 31.621 31.700 -0.106 0.000 0.791 1138 E N -1.169 118.912 120.200 -0.199 0.000 2.051 1138 E HA -0.198 4.153 4.350 0.001 0.000 0.192 1138 E C 2.156 178.681 176.600 -0.124 0.000 0.991 1138 E CA 1.118 57.451 56.400 -0.112 0.000 0.799 1138 E CB -0.557 29.088 29.700 -0.091 0.000 0.748 1138 E HN 0.015 nan 8.360 nan 0.000 0.449 1139 R N 0.436 120.815 120.500 -0.201 0.000 2.073 1139 R HA -0.005 4.335 4.340 0.001 0.000 0.229 1139 R C 2.290 178.505 176.300 -0.140 0.000 1.120 1139 R CA 1.689 57.693 56.100 -0.160 0.000 0.967 1139 R CB -0.971 29.218 30.300 -0.185 0.000 0.862 1139 R HN 0.152 nan 8.270 nan 0.000 0.436 1140 S N -0.036 115.521 115.700 -0.239 0.000 2.359 1140 S HA -0.118 4.353 4.470 0.001 0.000 0.223 1140 S C 1.897 176.507 174.600 0.016 0.000 1.039 1140 S CA 1.547 59.681 58.200 -0.109 0.000 1.042 1140 S CB -0.304 62.831 63.200 -0.108 0.000 0.915 1140 S HN 0.336 nan 8.310 nan 0.000 0.439 1141 I N 1.691 122.280 120.570 0.031 0.000 2.226 1141 I HA -0.105 4.066 4.170 0.001 0.000 0.245 1141 I C 2.630 178.807 176.117 0.100 0.000 1.100 1141 I CA 1.699 63.065 61.300 0.110 0.000 1.374 1141 I CB -1.692 36.388 38.000 0.134 0.000 1.057 1141 I HN 0.469 nan 8.210 nan 0.000 0.413 1142 E N 1.596 121.825 120.200 0.048 0.000 2.106 1142 E HA -0.158 4.192 4.350 0.001 0.000 0.192 1142 E C 2.190 178.838 176.600 0.080 0.000 0.984 1142 E CA 1.232 57.676 56.400 0.074 0.000 0.806 1142 E CB -0.359 29.356 29.700 0.025 0.000 0.750 1142 E HN 0.483 nan 8.360 nan 0.000 0.458 1143 I N 0.447 121.036 120.570 0.032 0.000 2.179 1143 I HA -0.314 3.856 4.170 0.001 0.000 0.242 1143 I C 2.501 178.638 176.117 0.033 0.000 1.088 1143 I CA 1.560 62.866 61.300 0.010 0.000 1.357 1143 I CB -0.329 37.667 38.000 -0.008 0.000 1.051 1143 I HN 0.241 nan 8.210 nan 0.000 0.409 1144 Q N -0.611 119.235 119.800 0.076 0.000 2.167 1144 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 1144 Q C 2.101 178.176 176.000 0.124 0.000 0.970 1144 Q CA 1.539 57.401 55.803 0.097 0.000 0.855 1144 Q CB -0.270 28.546 28.738 0.131 0.000 0.911 1144 Q HN 0.552 nan 8.270 nan 0.000 0.438 1145 H N 0.914 120.005 119.070 0.036 0.000 2.321 1145 H HA -0.069 4.487 4.556 0.001 0.000 0.300 1145 H C 1.742 177.075 175.328 0.007 0.000 1.087 1145 H CA 1.507 57.563 56.048 0.013 0.000 1.319 1145 H CB -0.249 29.498 29.762 -0.024 0.000 1.379 1145 H HN 0.124 nan 8.280 nan 0.000 0.501 1146 L N -0.141 120.973 121.223 -0.182 0.000 2.083 1146 L HA -0.155 4.186 4.340 0.001 0.000 0.209 1146 L C 2.492 179.273 176.870 -0.147 0.000 1.083 1146 L CA 0.918 55.617 54.840 -0.235 0.000 0.752 1146 L CB -0.357 41.626 42.059 -0.126 0.000 0.899 1146 L HN 0.320 nan 8.230 nan 0.000 0.433 1147 L N -0.377 120.803 121.223 -0.071 0.000 2.275 1147 L HA -0.038 4.302 4.340 0.001 0.000 0.215 1147 L C 1.541 178.420 176.870 0.017 0.000 1.119 1147 L CA 0.798 55.616 54.840 -0.036 0.000 0.790 1147 L CB -0.722 41.331 42.059 -0.010 0.000 0.919 1147 L HN 0.555 nan 8.230 nan 0.000 0.443 1148 G N 0.465 109.279 108.800 0.024 0.000 2.147 1148 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 1148 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 1148 G C 0.368 175.414 174.900 0.244 0.000 1.005 1148 G CA 0.389 45.558 45.100 0.116 0.000 0.713 1148 G HN 0.478 nan 8.290 nan 0.000 0.515 1149 S N -0.801 115.003 115.700 0.173 0.000 2.572 1149 S HA 0.460 4.930 4.470 0.001 0.000 0.279 1149 S C 0.857 175.591 174.600 0.223 0.000 1.341 1149 S CA 0.508 58.816 58.200 0.181 0.000 1.043 1149 S CB 1.444 64.701 63.200 0.095 0.000 0.887 1149 S HN 0.241 nan 8.310 nan 0.000 0.516 1150 D N 1.015 121.555 120.400 0.233 0.000 2.162 1150 D HA 0.185 4.825 4.640 0.001 0.000 0.205 1150 D C 0.044 176.444 176.300 0.166 0.000 0.964 1150 D CA 0.812 54.940 54.000 0.213 0.000 0.847 1150 D CB -0.041 40.894 40.800 0.226 0.000 0.988 1150 D HN 0.546 nan 8.370 nan 0.000 0.480 1151 I N 1.566 122.179 120.570 0.071 0.000 2.354 1151 I HA 0.216 4.386 4.170 0.001 0.000 0.286 1151 I C -0.892 175.195 176.117 -0.051 0.000 1.007 1151 I CA -0.714 60.557 61.300 -0.049 0.000 1.167 1151 I CB 1.983 39.821 38.000 -0.271 0.000 1.320 1151 I HN -0.247 nan 8.210 nan 0.000 0.458 1152 V N 6.929 126.854 119.914 0.018 0.000 2.394 1152 V HA 0.371 4.491 4.120 0.001 0.000 0.282 1152 V C 0.357 176.453 176.094 0.003 0.000 1.031 1152 V CA -0.616 61.724 62.300 0.065 0.000 0.881 1152 V CB 1.493 33.455 31.823 0.231 0.000 0.982 1152 V HN 0.575 nan 8.190 nan 0.000 0.451 1153 M N 3.877 123.489 119.600 0.019 0.000 2.180 1153 M HA 0.487 4.968 4.480 0.001 0.000 0.358 1153 M C 0.459 176.788 176.300 0.049 0.000 1.233 1153 M CA -0.397 54.911 55.300 0.014 0.000 1.114 1153 M CB 0.984 33.598 32.600 0.022 0.000 1.594 1153 M HN 0.738 nan 8.290 nan 0.000 0.467 1154 A N 3.365 126.179 122.820 -0.008 0.000 2.492 1154 A HA 0.201 4.521 4.320 0.001 0.000 0.236 1154 A C -0.438 177.231 177.584 0.142 0.000 1.078 1154 A CA -0.181 51.892 52.037 0.061 0.000 0.773 1154 A CB -0.024 18.940 19.000 -0.060 0.000 1.023 1154 A HN 0.744 nan 8.150 nan 0.000 0.504 1155 F N 2.547 122.538 119.950 0.069 0.000 2.421 1155 F HA 0.394 4.922 4.527 0.000 0.000 0.358 1155 F C 0.315 176.247 175.800 0.220 0.000 1.115 1155 F CA -0.178 57.869 58.000 0.080 0.000 1.160 1155 F CB 0.466 39.449 39.000 -0.028 0.000 1.123 1155 F HN 0.765 nan 8.300 nan 0.000 0.508 1156 D N 3.842 124.055 120.400 -0.312 0.000 2.727 1156 D HA 0.255 4.896 4.640 0.001 0.000 0.264 1156 D C -1.515 174.695 176.300 -0.150 0.000 1.101 1156 D CA -0.723 53.230 54.000 -0.079 0.000 1.122 1156 D CB 1.391 42.158 40.800 -0.055 0.000 1.390 1156 D HN 0.585 nan 8.370 nan 0.000 0.606 1157 E N -0.515 119.665 120.200 -0.033 0.000 2.235 1157 E HA 0.325 4.675 4.350 0.001 0.000 0.252 1157 E C -1.282 175.308 176.600 -0.016 0.000 0.886 1157 E CA -0.807 55.581 56.400 -0.020 0.000 0.767 1157 E CB 1.202 30.860 29.700 -0.071 0.000 1.205 1157 E HN 0.503 nan 8.360 nan 0.000 0.421 1158 C N 5.563 124.879 119.300 0.027 0.000 2.485 1158 C HA 0.173 4.634 4.460 0.001 0.000 0.408 1158 C C 0.938 175.964 174.990 0.060 0.000 1.034 1158 C CA -0.041 59.020 59.018 0.071 0.000 1.267 1158 C CB -1.751 26.130 27.740 0.235 0.000 1.703 1158 C HN 0.723 nan 8.230 nan 0.000 0.530 1159 T N 7.455 122.030 114.554 0.035 0.000 2.778 1159 T HA 0.140 4.490 4.350 0.001 0.000 0.282 1159 T C -1.819 172.927 174.700 0.077 0.000 0.983 1159 T CA -0.541 61.585 62.100 0.044 0.000 1.193 1159 T CB 0.104 68.999 68.868 0.044 0.000 0.938 1159 T HN 0.668 nan 8.240 nan 0.000 0.523 1160 P HA 0.094 nan 4.420 nan 0.000 0.269 1160 P C -1.446 175.946 177.300 0.155 0.000 1.211 1160 P CA -0.110 63.047 63.100 0.095 0.000 0.781 1160 P CB 0.195 31.926 31.700 0.051 0.000 0.877 1161 Y N 1.510 121.819 120.300 0.015 0.000 2.376 1161 Y HA 0.499 5.050 4.550 0.000 0.000 0.340 1161 Y C -2.217 173.689 175.900 0.011 0.000 0.965 1161 Y CA -2.368 55.737 58.100 0.008 0.000 1.078 1161 Y CB 0.298 38.755 38.460 -0.005 0.000 1.193 1161 Y HN 0.390 nan 8.280 nan 0.000 0.452 1162 P HA 0.737 nan 4.420 nan 0.000 0.286 1162 P C -1.749 175.506 177.300 -0.075 0.000 1.293 1162 P CA -0.537 62.240 63.100 -0.538 0.000 0.770 1162 P CB 0.742 32.137 31.700 -0.509 0.000 1.206 1163 A N -0.613 122.241 122.820 0.058 0.000 2.547 1163 A HA 0.540 4.861 4.320 0.001 0.000 0.298 1163 A C -0.237 177.516 177.584 0.281 0.000 1.062 1163 A CA -0.551 51.577 52.037 0.152 0.000 0.748 1163 A CB 0.331 19.444 19.000 0.188 0.000 1.288 1163 A HN 0.606 nan 8.150 nan 0.000 0.396 1164 T N 0.763 115.403 114.554 0.143 0.000 2.856 1164 T HA 0.429 4.779 4.350 0.001 0.000 0.306 1164 T C -1.611 173.035 174.700 -0.090 0.000 1.062 1164 T CA -0.753 61.381 62.100 0.056 0.000 1.083 1164 T CB 0.520 69.380 68.868 -0.013 0.000 0.984 1164 T HN 0.234 nan 8.240 nan 0.000 0.542 1165 P HA -0.140 nan 4.420 nan 0.000 0.216 1165 P C 1.916 179.041 177.300 -0.291 0.000 1.153 1165 P CA 1.225 63.895 63.100 -0.717 0.000 0.858 1165 P CB -0.059 31.240 31.700 -0.668 0.000 0.789 1166 S N -1.068 114.527 115.700 -0.175 0.000 2.345 1166 S HA -0.130 4.341 4.470 0.001 0.000 0.219 1166 S C 1.956 176.522 174.600 -0.056 0.000 1.031 1166 S CA 1.048 59.189 58.200 -0.099 0.000 0.984 1166 S CB -0.513 62.641 63.200 -0.076 0.000 0.874 1166 S HN -0.043 nan 8.310 nan 0.000 0.451 1167 R N 0.905 121.386 120.500 -0.032 0.000 2.096 1167 R HA -0.070 4.270 4.340 0.001 0.000 0.240 1167 R C 2.600 178.910 176.300 0.018 0.000 1.139 1167 R CA 1.527 57.626 56.100 -0.002 0.000 0.952 1167 R CB -0.651 29.661 30.300 0.020 0.000 0.854 1167 R HN 0.498 nan 8.270 nan 0.000 0.436 1168 A N 1.066 123.921 122.820 0.058 0.000 1.930 1168 A HA -0.065 4.255 4.320 0.001 0.000 0.217 1168 A C 2.362 179.977 177.584 0.052 0.000 1.175 1168 A CA 1.541 53.648 52.037 0.115 0.000 0.627 1168 A CB -0.619 18.568 19.000 0.312 0.000 0.815 1168 A HN 0.407 nan 8.150 nan 0.000 0.443 1169 A N -0.431 122.389 122.820 -0.000 0.000 1.858 1169 A HA -0.070 4.251 4.320 0.001 0.000 0.216 1169 A C 2.468 180.033 177.584 -0.032 0.000 1.190 1169 A CA 2.089 54.114 52.037 -0.020 0.000 0.617 1169 A CB -0.990 17.980 19.000 -0.051 0.000 0.827 1169 A HN 0.446 nan 8.150 nan 0.000 0.443 1170 S N -0.366 115.308 115.700 -0.042 0.000 2.351 1170 S HA -0.189 4.281 4.470 0.001 0.000 0.220 1170 S C 2.371 176.914 174.600 -0.094 0.000 1.035 1170 S CA 1.616 59.779 58.200 -0.062 0.000 1.031 1170 S CB -0.557 62.609 63.200 -0.056 0.000 0.928 1170 S HN 0.703 nan 8.310 nan 0.000 0.433 1171 S N 1.370 117.022 115.700 -0.081 0.000 2.359 1171 S HA -0.194 4.276 4.470 0.001 0.000 0.222 1171 S C 2.011 176.535 174.600 -0.126 0.000 1.038 1171 S CA 1.717 59.847 58.200 -0.117 0.000 1.051 1171 S CB -0.506 62.659 63.200 -0.058 0.000 0.944 1171 S HN 0.412 nan 8.310 nan 0.000 0.433 1172 M N 1.384 120.948 119.600 -0.059 0.000 2.073 1172 M HA -0.154 4.326 4.480 0.001 0.000 0.258 1172 M C 1.877 178.140 176.300 -0.062 0.000 1.070 1172 M CA 2.127 57.403 55.300 -0.040 0.000 1.103 1172 M CB -1.414 31.190 32.600 0.007 0.000 1.321 1172 M HN 0.449 nan 8.290 nan 0.000 0.405 1173 E N -0.448 119.714 120.200 -0.064 0.000 2.085 1173 E HA -0.263 4.087 4.350 0.001 0.000 0.194 1173 E C 2.145 178.677 176.600 -0.114 0.000 0.994 1173 E CA 1.743 58.105 56.400 -0.063 0.000 0.801 1173 E CB -0.346 29.321 29.700 -0.054 0.000 0.743 1173 E HN 0.555 nan 8.360 nan 0.000 0.453 1174 R N 0.749 121.121 120.500 -0.212 0.000 2.062 1174 R HA -0.110 4.231 4.340 0.001 0.000 0.231 1174 R C 2.361 178.382 176.300 -0.466 0.000 1.136 1174 R CA 1.763 57.615 56.100 -0.413 0.000 0.948 1174 R CB -0.181 29.760 30.300 -0.598 0.000 0.845 1174 R HN -0.031 nan 8.270 nan 0.000 0.430 1175 S N 0.478 115.977 115.700 -0.336 0.000 2.387 1175 S HA -0.152 4.318 4.470 0.001 0.000 0.230 1175 S C 1.836 176.460 174.600 0.041 0.000 1.035 1175 S CA 1.513 59.645 58.200 -0.113 0.000 1.014 1175 S CB -0.119 63.041 63.200 -0.066 0.000 0.836 1175 S HN 0.312 nan 8.310 nan 0.000 0.466 1176 M N 0.657 120.262 119.600 0.009 0.000 2.175 1176 M HA 0.043 4.523 4.480 0.001 0.000 0.264 1176 M C 2.081 178.455 176.300 0.123 0.000 1.063 1176 M CA 1.267 56.615 55.300 0.080 0.000 1.119 1176 M CB -1.140 31.492 32.600 0.054 0.000 1.377 1176 M HN 0.161 nan 8.290 nan 0.000 0.415 1177 R N -0.891 119.654 120.500 0.076 0.000 2.066 1177 R HA -0.159 4.182 4.340 0.001 0.000 0.232 1177 R C 2.051 178.541 176.300 0.318 0.000 1.131 1177 R CA 1.509 57.694 56.100 0.140 0.000 0.955 1177 R CB -0.205 30.137 30.300 0.072 0.000 0.851 1177 R HN 0.332 nan 8.270 nan 0.000 0.432 1178 W N 0.219 121.593 121.300 0.123 0.000 2.374 1178 W HA 0.020 4.680 4.660 0.001 0.000 0.288 1178 W C 2.184 178.810 176.519 0.179 0.000 1.218 1178 W CA 0.742 58.189 57.345 0.170 0.000 1.245 1178 W CB -0.919 28.665 29.460 0.206 0.000 1.126 1178 W HN 0.225 nan 8.180 nan 0.000 0.545 1179 A N 0.343 123.393 122.820 0.384 0.000 1.902 1179 A HA -0.225 4.095 4.320 0.001 0.000 0.217 1179 A C 2.052 179.859 177.584 0.373 0.000 1.181 1179 A CA 2.299 54.547 52.037 0.352 0.000 0.623 1179 A CB -0.670 18.517 19.000 0.311 0.000 0.818 1179 A HN 0.105 nan 8.150 nan 0.000 0.443 1180 K N 0.295 120.861 120.400 0.278 0.000 2.057 1180 K HA -0.092 4.229 4.320 0.001 0.000 0.207 1180 K C 2.022 178.723 176.600 0.167 0.000 1.049 1180 K CA 1.766 58.163 56.287 0.184 0.000 0.931 1180 K CB -0.376 32.209 32.500 0.142 0.000 0.714 1180 K HN 0.471 nan 8.250 nan 0.000 0.440 1181 R N -0.187 120.434 120.500 0.201 0.000 2.092 1181 R HA 0.012 4.352 4.340 0.001 0.000 0.231 1181 R C 2.392 178.784 176.300 0.152 0.000 1.119 1181 R CA 1.441 57.635 56.100 0.156 0.000 0.970 1181 R CB -0.244 30.150 30.300 0.156 0.000 0.864 1181 R HN 0.142 nan 8.270 nan 0.000 0.440 1182 S N 0.679 116.503 115.700 0.207 0.000 2.356 1182 S HA -0.172 4.299 4.470 0.001 0.000 0.223 1182 S C 1.801 176.535 174.600 0.224 0.000 1.032 1182 S CA 1.452 59.782 58.200 0.216 0.000 1.005 1182 S CB -0.219 63.137 63.200 0.260 0.000 0.867 1182 S HN 0.208 nan 8.310 nan 0.000 0.449 1183 R N 2.265 122.890 120.500 0.207 0.000 2.080 1183 R HA -0.121 4.220 4.340 0.001 0.000 0.236 1183 R C 1.439 177.813 176.300 0.124 0.000 1.137 1183 R CA 2.136 58.296 56.100 0.100 0.000 0.943 1183 R CB -1.164 29.092 30.300 -0.073 0.000 0.846 1183 R HN 0.274 nan 8.270 nan 0.000 0.431 1184 D N 0.192 120.650 120.400 0.097 0.000 2.097 1184 D HA -0.095 4.545 4.640 0.001 0.000 0.195 1184 D C 1.796 178.148 176.300 0.085 0.000 0.989 1184 D CA 1.836 55.881 54.000 0.076 0.000 0.827 1184 D CB -0.537 40.297 40.800 0.056 0.000 0.966 1184 D HN 0.395 nan 8.370 nan 0.000 0.456 1185 A N 0.641 123.518 122.820 0.096 0.000 1.908 1185 A HA -0.204 4.117 4.320 0.001 0.000 0.218 1185 A C 2.124 179.759 177.584 0.085 0.000 1.181 1185 A CA 1.197 53.276 52.037 0.069 0.000 0.627 1185 A CB -1.047 17.992 19.000 0.065 0.000 0.818 1185 A HN 0.261 nan 8.150 nan 0.000 0.445 1186 F N 1.071 121.020 119.950 -0.001 0.000 2.146 1186 F HA -0.143 4.384 4.527 0.000 0.000 0.298 1186 F C 1.508 177.285 175.800 -0.037 0.000 1.096 1186 F CA 1.996 59.989 58.000 -0.011 0.000 1.275 1186 F CB -0.048 38.971 39.000 0.032 0.000 1.008 1186 F HN 0.226 nan 8.300 nan 0.000 0.480 1187 D N -0.536 119.975 120.400 0.184 0.000 2.312 1187 D HA -0.077 4.563 4.640 0.001 0.000 0.211 1187 D C 2.274 178.545 176.300 -0.047 0.000 0.964 1187 D CA 0.904 54.941 54.000 0.063 0.000 0.877 1187 D CB -0.122 40.735 40.800 0.095 0.000 0.924 1187 D HN 0.248 nan 8.370 nan 0.000 0.515 1188 S N 0.187 115.854 115.700 -0.056 0.000 2.453 1188 S HA 0.007 4.478 4.470 0.001 0.000 0.231 1188 S C 0.924 175.444 174.600 -0.133 0.000 1.005 1188 S CA 0.357 58.514 58.200 -0.073 0.000 0.949 1188 S CB 0.268 63.438 63.200 -0.051 0.000 0.774 1188 S HN 0.193 nan 8.310 nan 0.000 0.510 1189 R N 1.575 121.937 120.500 -0.230 0.000 2.215 1189 R HA 0.285 4.625 4.340 0.001 0.000 0.337 1189 R C 0.986 177.100 176.300 -0.310 0.000 1.010 1189 R CA -0.265 55.642 56.100 -0.321 0.000 0.871 1189 R CB 0.784 30.755 30.300 -0.548 0.000 1.134 1189 R HN 0.121 nan 8.270 nan 0.000 0.477 1190 K N 2.535 122.819 120.400 -0.193 0.000 2.044 1190 K HA -0.281 4.040 4.320 0.001 0.000 0.210 1190 K C 1.535 178.048 176.600 -0.145 0.000 1.049 1190 K CA 1.875 58.079 56.287 -0.138 0.000 0.927 1190 K CB 0.207 32.658 32.500 -0.080 0.000 0.713 1190 K HN 0.562 nan 8.250 nan 0.000 0.443 1191 E N 0.279 120.397 120.200 -0.136 0.000 2.058 1191 E HA -0.292 4.059 4.350 0.001 0.000 0.194 1191 E C 2.170 178.706 176.600 -0.107 0.000 0.997 1191 E CA 1.621 57.981 56.400 -0.067 0.000 0.801 1191 E CB 0.013 29.740 29.700 0.045 0.000 0.746 1191 E HN 0.409 nan 8.360 nan 0.000 0.450 1192 Q N -0.295 119.332 119.800 -0.288 0.000 2.049 1192 Q HA -0.101 4.239 4.340 0.001 0.000 0.198 1192 Q C 2.079 177.752 176.000 -0.545 0.000 0.971 1192 Q CA 1.254 56.827 55.803 -0.383 0.000 0.833 1192 Q CB -0.184 28.169 28.738 -0.642 0.000 0.896 1192 Q HN 0.316 nan 8.270 nan 0.000 0.434 1193 A N 0.771 123.202 122.820 -0.648 0.000 2.024 1193 A HA -0.204 4.116 4.320 0.001 0.000 0.220 1193 A C 1.587 179.145 177.584 -0.043 0.000 1.164 1193 A CA 1.679 53.477 52.037 -0.398 0.000 0.643 1193 A CB -0.367 18.497 19.000 -0.226 0.000 0.806 1193 A HN 0.548 nan 8.150 nan 0.000 0.451 1194 E N -0.907 119.258 120.200 -0.058 0.000 2.400 1194 E HA 0.024 4.375 4.350 0.001 0.000 0.195 1194 E C 0.697 177.329 176.600 0.053 0.000 1.012 1194 E CA 0.353 56.763 56.400 0.016 0.000 0.875 1194 E CB 0.095 29.793 29.700 -0.003 0.000 0.859 1194 E HN 0.608 nan 8.360 nan 0.000 0.498 1195 N N -0.222 118.510 118.700 0.053 0.000 2.239 1195 N HA 0.146 4.886 4.740 0.001 0.000 0.208 1195 N C -0.024 175.573 175.510 0.146 0.000 1.200 1195 N CA 0.137 53.239 53.050 0.086 0.000 0.895 1195 N CB 1.406 39.923 38.487 0.052 0.000 1.085 1195 N HN -0.050 nan 8.380 nan 0.000 0.500 1196 A N 0.593 123.531 122.820 0.197 0.000 2.313 1196 A HA 0.884 5.204 4.320 0.001 0.000 0.323 1196 A C -0.796 177.046 177.584 0.429 0.000 1.133 1196 A CA -0.468 51.751 52.037 0.304 0.000 0.847 1196 A CB 1.409 20.607 19.000 0.330 0.000 1.308 1196 A HN 0.094 nan 8.150 nan 0.000 0.475 1197 A N -0.083 122.916 122.820 0.299 0.000 2.356 1197 A HA 0.745 5.065 4.320 0.001 0.000 0.323 1197 A C -1.039 176.470 177.584 -0.125 0.000 1.119 1197 A CA -0.501 51.560 52.037 0.041 0.000 0.790 1197 A CB 1.113 20.017 19.000 -0.159 0.000 1.273 1197 A HN 0.980 nan 8.150 nan 0.000 0.452 1198 L N 1.512 122.492 121.223 -0.404 0.000 2.356 1198 L HA 0.636 4.976 4.340 0.001 0.000 0.277 1198 L C -1.787 175.064 176.870 -0.032 0.000 0.996 1198 L CA -0.471 54.121 54.840 -0.413 0.000 0.822 1198 L CB 1.319 42.796 42.059 -0.970 0.000 1.256 1198 L HN 0.703 nan 8.230 nan 0.000 0.413 1199 F N 1.830 121.578 119.950 -0.337 0.000 2.443 1199 F HA 0.600 5.127 4.527 0.001 0.000 0.335 1199 F C 0.923 176.269 175.800 -0.756 0.000 1.104 1199 F CA -0.734 57.001 58.000 -0.442 0.000 1.013 1199 F CB 2.028 40.878 39.000 -0.250 0.000 1.136 1199 F HN 0.396 nan 8.300 nan 0.000 0.470 1200 G N 3.192 111.280 108.800 -1.188 0.000 2.451 1200 G HA2 0.621 4.581 3.960 0.001 0.000 0.303 1200 G HA3 0.621 4.581 3.960 0.001 0.000 0.303 1200 G C -0.949 173.623 174.900 -0.545 0.000 1.166 1200 G CA -0.566 43.627 45.100 -1.510 0.000 0.884 1200 G HN 0.549 nan 8.290 nan 0.000 0.514 1201 I N 0.658 121.022 120.570 -0.343 0.000 2.389 1201 I HA 0.240 4.410 4.170 0.001 0.000 0.288 1201 I C 0.163 176.220 176.117 -0.099 0.000 0.999 1201 I CA -0.550 60.647 61.300 -0.172 0.000 1.129 1201 I CB 2.003 39.915 38.000 -0.147 0.000 1.288 1201 I HN 0.416 nan 8.210 nan 0.000 0.444 1202 Q N 5.790 125.553 119.800 -0.062 0.000 2.293 1202 Q HA 0.291 4.632 4.340 0.001 0.000 0.251 1202 Q C -0.919 175.060 176.000 -0.035 0.000 0.930 1202 Q CA -0.279 55.510 55.803 -0.025 0.000 0.893 1202 Q CB 1.290 30.020 28.738 -0.014 0.000 1.215 1202 Q HN 0.538 nan 8.270 nan 0.000 0.425 1203 Q N 0.803 120.598 119.800 -0.009 0.000 3.146 1203 Q HA 0.554 4.894 4.340 0.001 0.000 0.318 1203 Q C -0.152 175.869 176.000 0.036 0.000 0.992 1203 Q CA -0.020 55.782 55.803 -0.002 0.000 0.809 1203 Q CB 1.718 30.451 28.738 -0.008 0.000 1.490 1203 Q HN 0.958 nan 8.270 nan 0.000 0.493 1204 G N -0.158 108.679 108.800 0.062 0.000 2.155 1204 G HA2 -0.151 3.809 3.960 0.001 0.000 0.130 1204 G HA3 -0.151 3.809 3.960 0.001 0.000 0.130 1204 G C 0.310 175.308 174.900 0.163 0.000 1.027 1204 G CA 0.884 46.060 45.100 0.127 0.000 0.705 1204 G HN 0.757 nan 8.290 nan 0.000 0.496 1205 S N -2.228 113.525 115.700 0.088 0.000 3.736 1205 S HA -0.357 4.113 4.470 0.001 0.000 0.627 1205 S C 1.753 176.286 174.600 -0.112 0.000 2.426 1205 S CA 3.275 61.478 58.200 0.006 0.000 4.022 1205 S CB -1.154 62.079 63.200 0.054 0.000 0.237 1205 S HN 2.011 nan 8.310 nan 0.000 0.967 1206 V N -0.196 119.482 119.914 -0.393 0.000 3.342 1206 V HA 0.562 4.682 4.120 0.001 0.000 0.322 1206 V C 0.065 175.997 176.094 -0.270 0.000 1.370 1206 V CA 0.062 62.188 62.300 -0.290 0.000 1.170 1206 V CB -0.754 30.904 31.823 -0.275 0.000 1.101 1206 V HN 0.456 nan 8.190 nan 0.000 0.442 1207 F N 0.849 120.896 119.950 0.162 0.000 2.405 1207 F HA 0.523 5.050 4.527 0.000 0.000 0.355 1207 F C 1.540 177.326 175.800 -0.023 0.000 1.121 1207 F CA -0.908 57.125 58.000 0.056 0.000 1.112 1207 F CB 1.353 40.367 39.000 0.023 0.000 1.126 1207 F HN 0.091 nan 8.300 nan 0.000 0.481 1208 E N 2.922 123.026 120.200 -0.159 0.000 2.021 1208 E HA -0.298 4.052 4.350 0.001 0.000 0.200 1208 E C 2.053 178.573 176.600 -0.133 0.000 1.015 1208 E CA 1.955 58.068 56.400 -0.478 0.000 0.824 1208 E CB -0.026 29.171 29.700 -0.838 0.000 0.762 1208 E HN 0.774 nan 8.360 nan 0.000 0.454 1209 N N 0.855 119.506 118.700 -0.082 0.000 2.091 1209 N HA -0.233 4.507 4.740 0.001 0.000 0.193 1209 N C 1.900 177.415 175.510 0.008 0.000 1.021 1209 N CA 1.377 54.405 53.050 -0.037 0.000 0.862 1209 N CB -0.584 37.880 38.487 -0.038 0.000 1.018 1209 N HN 0.155 nan 8.380 nan 0.000 0.429 1210 L N 1.153 122.410 121.223 0.058 0.000 2.027 1210 L HA 0.011 4.351 4.340 0.001 0.000 0.206 1210 L C 2.783 179.699 176.870 0.078 0.000 1.074 1210 L CA 1.322 56.208 54.840 0.077 0.000 0.745 1210 L CB -0.810 41.339 42.059 0.149 0.000 0.898 1210 L HN 0.124 nan 8.230 nan 0.000 0.433 1211 R N -0.649 119.916 120.500 0.108 0.000 2.105 1211 R HA -0.214 4.126 4.340 0.001 0.000 0.239 1211 R C 2.188 178.528 176.300 0.067 0.000 1.135 1211 R CA 1.295 57.461 56.100 0.109 0.000 0.967 1211 R CB -0.574 29.850 30.300 0.206 0.000 0.861 1211 R HN 0.411 nan 8.270 nan 0.000 0.442 1212 Q N 1.083 120.911 119.800 0.046 0.000 2.046 1212 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 1212 Q C 1.954 177.964 176.000 0.016 0.000 0.975 1212 Q CA 1.765 57.580 55.803 0.021 0.000 0.836 1212 Q CB -0.065 28.672 28.738 -0.002 0.000 0.896 1212 Q HN 0.380 nan 8.270 nan 0.000 0.428 1213 Q N -0.780 119.031 119.800 0.018 0.000 2.050 1213 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 1213 Q C 2.222 178.240 176.000 0.030 0.000 0.980 1213 Q CA 1.529 57.343 55.803 0.019 0.000 0.840 1213 Q CB -0.354 28.393 28.738 0.014 0.000 0.898 1213 Q HN 0.392 nan 8.270 nan 0.000 0.424 1214 S N 0.272 115.994 115.700 0.036 0.000 2.365 1214 S HA -0.261 4.209 4.470 0.001 0.000 0.225 1214 S C 2.003 176.635 174.600 0.054 0.000 1.039 1214 S CA 1.344 59.571 58.200 0.044 0.000 1.033 1214 S CB -0.361 62.862 63.200 0.040 0.000 0.887 1214 S HN 0.470 nan 8.310 nan 0.000 0.447 1215 A N 1.626 124.466 122.820 0.032 0.000 1.883 1215 A HA -0.161 4.160 4.320 0.001 0.000 0.217 1215 A C 1.948 179.539 177.584 0.012 0.000 1.186 1215 A CA 2.028 54.068 52.037 0.006 0.000 0.624 1215 A CB -1.041 17.942 19.000 -0.028 0.000 0.822 1215 A HN 0.642 nan 8.150 nan 0.000 0.444 1216 D N -0.069 120.340 120.400 0.016 0.000 2.144 1216 D HA -0.028 4.613 4.640 0.001 0.000 0.200 1216 D C 2.230 178.562 176.300 0.054 0.000 0.978 1216 D CA 1.369 55.381 54.000 0.020 0.000 0.833 1216 D CB -0.380 40.428 40.800 0.013 0.000 0.961 1216 D HN 0.452 nan 8.370 nan 0.000 0.470 1217 A N 1.034 123.897 122.820 0.071 0.000 1.855 1217 A HA -0.146 4.174 4.320 0.001 0.000 0.215 1217 A C 2.158 179.842 177.584 0.167 0.000 1.191 1217 A CA 0.893 52.988 52.037 0.097 0.000 0.613 1217 A CB -0.716 18.339 19.000 0.091 0.000 0.829 1217 A HN 0.100 nan 8.150 nan 0.000 0.442 1218 L N -0.149 121.214 121.223 0.232 0.000 1.990 1218 L HA -0.216 4.124 4.340 0.001 0.000 0.213 1218 L C 3.035 180.188 176.870 0.472 0.000 1.072 1218 L CA 2.153 57.265 54.840 0.454 0.000 0.755 1218 L CB -1.283 41.045 42.059 0.449 0.000 0.889 1218 L HN 0.430 nan 8.230 nan 0.000 0.432 1219 A N -1.004 121.979 122.820 0.271 0.000 1.908 1219 A HA -0.264 4.056 4.320 0.001 0.000 0.218 1219 A C 2.296 179.948 177.584 0.113 0.000 1.181 1219 A CA 1.839 53.972 52.037 0.160 0.000 0.627 1219 A CB -0.583 18.412 19.000 -0.008 0.000 0.818 1219 A HN 0.440 nan 8.150 nan 0.000 0.445 1220 E N 0.450 120.699 120.200 0.082 0.000 2.077 1220 E HA -0.154 4.197 4.350 0.001 0.000 0.193 1220 E C 1.696 178.301 176.600 0.008 0.000 0.989 1220 E CA 1.626 58.050 56.400 0.040 0.000 0.800 1220 E CB -0.424 29.300 29.700 0.039 0.000 0.746 1220 E HN 0.657 nan 8.360 nan 0.000 0.452 1221 I N -0.327 120.244 120.570 0.003 0.000 2.202 1221 I HA -0.010 4.160 4.170 0.001 0.000 0.242 1221 I C 1.054 177.001 176.117 -0.283 0.000 1.091 1221 I CA 0.837 62.054 61.300 -0.138 0.000 1.368 1221 I CB -0.568 37.328 38.000 -0.173 0.000 1.058 1221 I HN 0.313 nan 8.210 nan 0.000 0.410 1222 G N 1.072 109.729 108.800 -0.239 0.000 3.322 1222 G HA2 -0.161 3.799 3.960 0.001 0.000 0.686 1222 G HA3 -0.161 3.799 3.960 0.001 0.000 0.686 1222 G C -0.874 173.655 174.900 -0.620 0.000 1.015 1222 G CA -0.824 44.150 45.100 -0.209 0.000 0.826 1222 G HN 0.077 nan 8.290 nan 0.000 0.538 1223 F N 0.441 120.271 119.950 -0.201 0.000 2.650 1223 F HA 0.546 5.074 4.527 0.000 0.000 0.320 1223 F C 1.018 176.485 175.800 -0.555 0.000 1.091 1223 F CA -0.960 56.739 58.000 -0.503 0.000 0.962 1223 F CB 1.517 40.012 39.000 -0.840 0.000 1.363 1223 F HN 0.342 nan 8.300 nan 0.000 0.482 1224 D N 0.238 120.369 120.400 -0.449 0.000 2.277 1224 D HA 0.191 4.831 4.640 0.001 0.000 0.208 1224 D C 0.623 176.389 176.300 -0.889 0.000 0.962 1224 D CA 0.883 54.480 54.000 -0.671 0.000 0.865 1224 D CB 0.426 40.589 40.800 -1.063 0.000 0.939 1224 D HN 0.575 nan 8.370 nan 0.000 0.510 1225 G N -0.718 107.223 108.800 -1.433 0.000 2.704 1225 G HA2 0.479 4.439 3.960 0.001 0.000 0.293 1225 G HA3 0.479 4.439 3.960 0.001 0.000 0.293 1225 G C -1.994 171.944 174.900 -1.603 0.000 1.421 1225 G CA -0.693 43.213 45.100 -1.989 0.000 0.870 1225 G HN -0.106 nan 8.290 nan 0.000 0.492 1226 Y N -0.019 119.938 120.300 -0.571 0.000 2.376 1226 Y HA 0.707 5.257 4.550 0.001 0.000 0.340 1226 Y C 0.557 176.456 175.900 -0.003 0.000 0.965 1226 Y CA -0.682 57.292 58.100 -0.209 0.000 1.078 1226 Y CB 2.372 40.769 38.460 -0.104 0.000 1.193 1226 Y HN 0.800 nan 8.280 nan 0.000 0.452 1227 A N 2.028 124.910 122.820 0.103 0.000 2.320 1227 A HA 0.783 5.103 4.320 0.001 0.000 0.334 1227 A C -1.132 176.393 177.584 -0.098 0.000 1.147 1227 A CA -0.766 51.276 52.037 0.008 0.000 0.820 1227 A CB 0.926 19.836 19.000 -0.150 0.000 1.218 1227 A HN 0.537 nan 8.150 nan 0.000 0.482 1228 V N 2.506 122.319 119.914 -0.169 0.000 2.304 1228 V HA 0.502 4.623 4.120 0.001 0.000 0.269 1228 V C 0.983 176.955 176.094 -0.204 0.000 1.036 1228 V CA 0.240 62.449 62.300 -0.153 0.000 0.840 1228 V CB 0.454 32.196 31.823 -0.135 0.000 1.036 1228 V HN 1.097 nan 8.190 nan 0.000 0.466 1229 G N 2.520 111.217 108.800 -0.172 0.000 2.531 1229 G HA2 0.559 4.519 3.960 0.001 0.000 0.313 1229 G HA3 0.559 4.519 3.960 0.001 0.000 0.313 1229 G C 0.930 175.758 174.900 -0.120 0.000 1.238 1229 G CA 0.087 45.080 45.100 -0.178 0.000 0.994 1229 G HN 1.425 nan 8.290 nan 0.000 0.493 1230 G N -1.896 106.845 108.800 -0.098 0.000 2.199 1230 G HA2 -0.226 3.735 3.960 0.001 0.000 0.254 1230 G HA3 -0.226 3.735 3.960 0.001 0.000 0.254 1230 G C 0.367 175.216 174.900 -0.084 0.000 0.982 1230 G CA 0.692 45.759 45.100 -0.055 0.000 0.632 1230 G HN 0.605 nan 8.290 nan 0.000 0.529 1231 L N -1.145 120.008 121.223 -0.118 0.000 2.299 1231 L HA 0.702 5.043 4.340 0.001 0.000 0.268 1231 L C 1.703 178.506 176.870 -0.112 0.000 1.012 1231 L CA -0.558 54.201 54.840 -0.135 0.000 0.816 1231 L CB 1.384 43.369 42.059 -0.125 0.000 1.355 1231 L HN 1.225 nan 8.230 nan 0.000 0.457 1232 A N 0.285 123.045 122.820 -0.100 0.000 2.869 1232 A HA -0.129 4.192 4.320 0.001 0.000 0.280 1232 A C 0.284 177.855 177.584 -0.021 0.000 1.458 1232 A CA 0.783 52.788 52.037 -0.053 0.000 0.776 1232 A CB -2.336 16.639 19.000 -0.041 0.000 1.028 1232 A HN 0.910 nan 8.150 nan 0.000 0.547 1233 V N -4.165 115.722 119.914 -0.045 0.000 2.915 1233 V HA 0.674 4.794 4.120 0.001 0.000 0.364 1233 V C 1.307 177.425 176.094 0.040 0.000 1.354 1233 V CA 0.469 62.788 62.300 0.033 0.000 1.213 1233 V CB -0.336 31.528 31.823 0.067 0.000 1.268 1233 V HN 2.401 nan 8.190 nan 0.000 0.557 1234 G N 1.757 110.556 108.800 -0.001 0.000 2.142 1234 G HA2 -0.232 3.729 3.960 0.001 0.000 0.225 1234 G HA3 -0.232 3.729 3.960 0.001 0.000 0.225 1234 G C 0.602 175.507 174.900 0.009 0.000 1.015 1234 G CA 0.410 45.537 45.100 0.044 0.000 0.716 1234 G HN 0.811 nan 8.290 nan 0.000 0.508 1235 E N 0.743 120.791 120.200 -0.252 0.000 2.442 1235 E HA 0.382 4.733 4.350 0.001 0.000 0.195 1235 E C 1.197 177.701 176.600 -0.160 0.000 1.030 1235 E CA 0.981 57.121 56.400 -0.434 0.000 0.869 1235 E CB -0.096 29.114 29.700 -0.818 0.000 0.857 1235 E HN 2.048 nan 8.360 nan 0.000 0.505 1236 G N 1.939 110.670 108.800 -0.115 0.000 2.721 1236 G HA2 -0.311 3.649 3.960 0.001 0.000 0.686 1236 G HA3 -0.311 3.649 3.960 0.001 0.000 0.686 1236 G C 0.174 174.965 174.900 -0.181 0.000 1.236 1236 G CA 0.091 45.130 45.100 -0.101 0.000 0.786 1236 G HN 0.223 nan 8.290 nan 0.000 0.616 1237 Q N 0.316 119.976 119.800 -0.234 0.000 2.045 1237 Q HA -0.198 4.142 4.340 0.001 0.000 0.206 1237 Q C 2.104 177.767 176.000 -0.562 0.000 0.991 1237 Q CA 2.659 58.175 55.803 -0.478 0.000 0.851 1237 Q CB -0.168 28.257 28.738 -0.522 0.000 0.911 1237 Q HN 0.718 nan 8.270 nan 0.000 0.418 1238 D N 0.020 120.226 120.400 -0.322 0.000 2.106 1238 D HA -0.213 4.428 4.640 0.001 0.000 0.191 1238 D C 1.771 178.021 176.300 -0.084 0.000 0.997 1238 D CA 1.675 55.579 54.000 -0.159 0.000 0.834 1238 D CB -0.237 40.521 40.800 -0.071 0.000 0.956 1238 D HN 0.302 nan 8.370 nan 0.000 0.448 1239 E N 0.073 120.214 120.200 -0.098 0.000 2.077 1239 E HA -0.149 4.201 4.350 0.001 0.000 0.193 1239 E C 2.004 178.540 176.600 -0.106 0.000 0.989 1239 E CA 0.826 57.179 56.400 -0.079 0.000 0.800 1239 E CB -0.307 29.337 29.700 -0.094 0.000 0.746 1239 E HN 0.312 nan 8.360 nan 0.000 0.452 1240 M N -0.813 118.700 119.600 -0.146 0.000 2.117 1240 M HA -0.156 4.324 4.480 0.001 0.000 0.262 1240 M C 1.337 177.678 176.300 0.068 0.000 1.065 1240 M CA 1.421 56.663 55.300 -0.097 0.000 1.114 1240 M CB -0.140 32.394 32.600 -0.109 0.000 1.361 1240 M HN 0.107 nan 8.290 nan 0.000 0.408 1241 F N 0.488 120.387 119.950 -0.085 0.000 2.134 1241 F HA -0.128 4.400 4.527 0.001 0.000 0.299 1241 F C 2.665 178.382 175.800 -0.138 0.000 1.097 1241 F CA 1.450 59.404 58.000 -0.076 0.000 1.264 1241 F CB -1.440 37.544 39.000 -0.026 0.000 1.001 1241 F HN 0.268 nan 8.300 nan 0.000 0.479 1242 R N 0.498 121.041 120.500 0.072 0.000 2.094 1242 R HA -0.176 4.164 4.340 0.001 0.000 0.239 1242 R C 2.130 178.213 176.300 -0.362 0.000 1.137 1242 R CA 2.155 58.230 56.100 -0.041 0.000 0.943 1242 R CB -0.565 29.750 30.300 0.025 0.000 0.850 1242 R HN 0.137 nan 8.270 nan 0.000 0.433 1243 V N 1.402 121.061 119.914 -0.426 0.000 2.343 1243 V HA -0.250 3.870 4.120 0.001 0.000 0.247 1243 V C 2.438 178.007 176.094 -0.874 0.000 1.051 1243 V CA 1.739 63.521 62.300 -0.863 0.000 1.036 1243 V CB -0.452 31.153 31.823 -0.365 0.000 0.654 1243 V HN 0.358 nan 8.190 nan 0.000 0.451 1244 L N -0.212 120.775 121.223 -0.394 0.000 2.083 1244 L HA -0.198 4.143 4.340 0.001 0.000 0.209 1244 L C 2.476 179.179 176.870 -0.279 0.000 1.083 1244 L CA 1.571 56.258 54.840 -0.255 0.000 0.752 1244 L CB -0.875 41.131 42.059 -0.089 0.000 0.899 1244 L HN 0.372 nan 8.230 nan 0.000 0.433 1245 D N 0.581 120.811 120.400 -0.284 0.000 2.126 1245 D HA -0.240 4.400 4.640 0.001 0.000 0.190 1245 D C 1.864 178.110 176.300 -0.091 0.000 1.001 1245 D CA 2.009 55.914 54.000 -0.158 0.000 0.841 1245 D CB -0.264 40.486 40.800 -0.082 0.000 0.949 1245 D HN 0.499 nan 8.370 nan 0.000 0.446 1246 F N -0.320 119.629 119.950 -0.002 0.000 2.698 1246 F HA 0.373 4.900 4.527 0.001 0.000 0.295 1246 F C 2.147 177.931 175.800 -0.026 0.000 1.124 1246 F CA -0.197 57.798 58.000 -0.009 0.000 1.426 1246 F CB -0.478 38.523 39.000 0.002 0.000 1.120 1246 F HN -0.255 nan 8.300 nan 0.000 0.583 1247 S N 1.225 116.896 115.700 -0.049 0.000 2.336 1247 S HA -0.080 4.390 4.470 0.001 0.000 0.216 1247 S C 2.226 176.791 174.600 -0.060 0.000 1.032 1247 S CA 1.344 59.561 58.200 0.028 0.000 0.973 1247 S CB -0.626 62.512 63.200 -0.103 0.000 0.888 1247 S HN 0.231 nan 8.310 nan 0.000 0.455 1248 V N 3.179 123.013 119.914 -0.132 0.000 2.278 1248 V HA -0.168 3.952 4.120 0.001 0.000 0.251 1248 V C -0.778 175.191 176.094 -0.207 0.000 1.062 1248 V CA 1.920 64.094 62.300 -0.210 0.000 1.038 1248 V CB -2.038 29.691 31.823 -0.157 0.000 0.646 1248 V HN 0.351 nan 8.190 nan 0.000 0.447 1249 P HA -0.149 nan 4.420 nan 0.000 0.219 1249 P C 1.858 179.124 177.300 -0.057 0.000 1.146 1249 P CA 1.476 64.552 63.100 -0.041 0.000 0.808 1249 P CB -0.153 31.553 31.700 0.010 0.000 0.779 1250 M N -1.777 117.788 119.600 -0.058 0.000 2.279 1250 M HA -0.078 4.402 4.480 0.001 0.000 0.264 1250 M C 0.813 177.032 176.300 -0.135 0.000 1.062 1250 M CA 1.046 56.309 55.300 -0.061 0.000 1.099 1250 M CB -0.762 31.824 32.600 -0.023 0.000 1.394 1250 M HN -0.090 nan 8.290 nan 0.000 0.426 1251 L N 0.483 121.571 121.223 -0.225 0.000 2.453 1251 L HA 0.209 4.549 4.340 0.001 0.000 0.261 1251 L C -2.054 174.669 176.870 -0.244 0.000 1.179 1251 L CA -2.175 52.458 54.840 -0.345 0.000 0.813 1251 L CB -0.542 41.231 42.059 -0.477 0.000 1.110 1251 L HN -0.228 nan 8.230 nan 0.000 0.466 1252 P HA -0.054 nan 4.420 nan 0.000 0.262 1252 P C -0.073 177.299 177.300 0.121 0.000 1.199 1252 P CA 0.300 63.322 63.100 -0.129 0.000 0.763 1252 P CB 0.487 32.057 31.700 -0.215 0.000 0.790 1253 D N 3.127 123.599 120.400 0.120 0.000 2.178 1253 D HA -0.195 4.445 4.640 0.001 0.000 0.201 1253 D C 1.055 177.458 176.300 0.171 0.000 0.980 1253 D CA 1.134 55.246 54.000 0.188 0.000 0.842 1253 D CB -0.046 40.822 40.800 0.114 0.000 0.948 1253 D HN 0.365 nan 8.370 nan 0.000 0.472 1254 D N -0.634 119.858 120.400 0.152 0.000 2.324 1254 D HA -0.040 4.600 4.640 0.001 0.000 0.235 1254 D C -0.139 176.367 176.300 0.343 0.000 1.095 1254 D CA 0.265 54.380 54.000 0.192 0.000 0.871 1254 D CB -0.011 40.866 40.800 0.128 0.000 0.906 1254 D HN 0.047 nan 8.370 nan 0.000 0.522 1255 K N 0.694 121.250 120.400 0.259 0.000 2.328 1255 K HA 0.468 4.789 4.320 0.001 0.000 0.246 1255 K C -2.824 173.591 176.600 -0.308 0.000 0.955 1255 K CA -2.429 53.954 56.287 0.159 0.000 0.817 1255 K CB 1.551 34.225 32.500 0.291 0.000 1.208 1255 K HN -0.106 nan 8.250 nan 0.000 0.432 1256 P HA 0.076 nan 4.420 nan 0.000 0.268 1256 P C -0.838 176.302 177.300 -0.266 0.000 1.205 1256 P CA 0.166 62.752 63.100 -0.856 0.000 0.771 1256 P CB 0.344 31.677 31.700 -0.612 0.000 0.858 1257 H N 1.957 120.975 119.070 -0.086 0.000 2.511 1257 H HA 0.286 4.843 4.556 0.000 0.000 0.328 1257 H C -0.899 174.462 175.328 0.054 0.000 1.044 1257 H CA -0.375 55.678 56.048 0.008 0.000 1.212 1257 H CB 0.498 30.249 29.762 -0.018 0.000 1.428 1257 H HN 0.389 nan 8.280 nan 0.000 0.483 1258 Y N 4.454 124.802 120.300 0.080 0.000 2.334 1258 Y HA 0.314 4.864 4.550 0.000 0.000 0.336 1258 Y C -1.394 174.430 175.900 -0.128 0.000 0.960 1258 Y CA -1.634 56.435 58.100 -0.052 0.000 1.164 1258 Y CB 0.672 39.169 38.460 0.062 0.000 1.155 1258 Y HN 0.469 nan 8.280 nan 0.000 0.478 1259 L N 7.744 128.887 121.223 -0.133 0.000 2.261 1259 L HA 0.437 4.777 4.340 0.001 0.000 0.289 1259 L C -0.655 176.031 176.870 -0.307 0.000 1.059 1259 L CA -0.300 54.387 54.840 -0.255 0.000 0.816 1259 L CB 0.256 42.200 42.059 -0.192 0.000 1.191 1259 L HN 0.707 nan 8.230 nan 0.000 0.431 1260 M N 5.025 124.297 119.600 -0.546 0.000 2.200 1260 M HA 0.307 4.788 4.480 0.001 0.000 0.355 1260 M C 1.412 177.579 176.300 -0.221 0.000 1.283 1260 M CA 0.565 55.553 55.300 -0.520 0.000 1.124 1260 M CB 0.712 32.923 32.600 -0.648 0.000 1.625 1260 M HN 0.875 nan 8.290 nan 0.000 0.463 1261 G N 2.152 110.892 108.800 -0.101 0.000 2.212 1261 G HA2 -0.212 3.748 3.960 0.001 0.000 0.266 1261 G HA3 -0.212 3.748 3.960 0.001 0.000 0.266 1261 G C -0.000 174.950 174.900 0.084 0.000 0.978 1261 G CA -0.078 44.996 45.100 -0.044 0.000 0.632 1261 G HN 0.570 nan 8.290 nan 0.000 0.537 1262 V N 0.682 120.697 119.914 0.168 0.000 2.461 1262 V HA 0.651 4.772 4.120 0.001 0.000 0.275 1262 V C 1.149 177.480 176.094 0.396 0.000 1.047 1262 V CA 0.952 63.413 62.300 0.268 0.000 0.955 1262 V CB 1.321 33.339 31.823 0.325 0.000 0.988 1262 V HN 1.030 nan 8.190 nan 0.000 0.471 1263 G N 4.032 112.999 108.800 0.278 0.000 4.818 1263 G HA2 0.112 4.072 3.960 0.001 0.000 0.253 1263 G HA3 0.112 4.072 3.960 0.001 0.000 0.253 1263 G C 0.007 175.001 174.900 0.157 0.000 0.986 1263 G CA -0.475 44.801 45.100 0.294 0.000 0.785 1263 G HN 0.591 nan 8.290 nan 0.000 0.325 1264 K N 1.529 121.981 120.400 0.087 0.000 2.339 1264 K HA 0.415 4.736 4.320 0.001 0.000 0.286 1264 K C -1.274 175.237 176.600 -0.147 0.000 1.050 1264 K CA -1.617 54.690 56.287 0.033 0.000 0.956 1264 K CB 1.600 34.175 32.500 0.125 0.000 0.990 1264 K HN -0.162 nan 8.250 nan 0.000 0.475 1265 P HA -0.286 nan 4.420 nan 0.000 0.217 1265 P C 0.256 177.342 177.300 -0.357 0.000 1.162 1265 P CA 1.712 64.458 63.100 -0.589 0.000 0.901 1265 P CB 0.062 31.385 31.700 -0.627 0.000 0.793 1266 D N -1.521 118.836 120.400 -0.071 0.000 2.219 1266 D HA -0.163 4.477 4.640 0.001 0.000 0.205 1266 D C 1.187 177.637 176.300 0.250 0.000 0.970 1266 D CA 1.035 55.183 54.000 0.247 0.000 0.851 1266 D CB -0.890 40.227 40.800 0.528 0.000 0.943 1266 D HN 0.152 nan 8.370 nan 0.000 0.488 1267 D N 1.024 121.524 120.400 0.167 0.000 2.123 1267 D HA -0.013 4.627 4.640 0.001 0.000 0.200 1267 D C 2.413 178.829 176.300 0.193 0.000 0.976 1267 D CA 0.332 54.485 54.000 0.254 0.000 0.831 1267 D CB -0.166 40.736 40.800 0.170 0.000 0.974 1267 D HN 0.304 nan 8.370 nan 0.000 0.469 1268 I N 0.565 121.064 120.570 -0.117 0.000 2.163 1268 I HA -0.261 3.910 4.170 0.001 0.000 0.243 1268 I C 2.381 178.364 176.117 -0.224 0.000 1.085 1268 I CA 0.754 61.748 61.300 -0.510 0.000 1.347 1268 I CB -0.213 37.284 38.000 -0.840 0.000 1.044 1268 I HN -0.092 nan 8.210 nan 0.000 0.408 1269 V N 1.019 120.842 119.914 -0.151 0.000 2.255 1269 V HA -0.246 3.874 4.120 0.001 0.000 0.247 1269 V C 2.613 178.783 176.094 0.127 0.000 1.051 1269 V CA 2.294 64.596 62.300 0.003 0.000 1.018 1269 V CB -1.510 30.232 31.823 -0.135 0.000 0.641 1269 V HN 0.586 nan 8.190 nan 0.000 0.445 1270 G N -0.538 108.329 108.800 0.112 0.000 2.442 1270 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 1270 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 1270 G C 1.740 176.484 174.900 -0.260 0.000 1.141 1270 G CA 1.083 46.047 45.100 -0.227 0.000 0.763 1270 G HN 0.628 nan 8.290 nan 0.000 0.554 1271 A N -0.018 122.848 122.820 0.077 0.000 1.930 1271 A HA 0.136 4.457 4.320 0.001 0.000 0.217 1271 A C 2.568 180.299 177.584 0.246 0.000 1.175 1271 A CA 1.652 53.816 52.037 0.210 0.000 0.627 1271 A CB -0.472 18.845 19.000 0.529 0.000 0.815 1271 A HN 0.247 nan 8.150 nan 0.000 0.443 1272 V N 0.157 120.263 119.914 0.319 0.000 2.427 1272 V HA -0.225 3.895 4.120 0.001 0.000 0.248 1272 V C 2.251 178.457 176.094 0.186 0.000 1.051 1272 V CA 2.078 64.523 62.300 0.242 0.000 1.048 1272 V CB -0.747 31.161 31.823 0.142 0.000 0.666 1272 V HN 0.632 nan 8.190 nan 0.000 0.456 1273 E N -0.151 120.220 120.200 0.286 0.000 2.333 1273 E HA -0.163 4.188 4.350 0.001 0.000 0.198 1273 E C 1.927 178.589 176.600 0.104 0.000 1.007 1273 E CA 0.693 57.270 56.400 0.296 0.000 0.845 1273 E CB -0.057 29.733 29.700 0.151 0.000 0.766 1273 E HN 0.538 nan 8.360 nan 0.000 0.507 1274 R N -0.902 119.621 120.500 0.039 0.000 2.427 1274 R HA 0.143 4.484 4.340 0.001 0.000 0.262 1274 R C 0.772 177.096 176.300 0.041 0.000 0.943 1274 R CA 0.439 56.537 56.100 -0.003 0.000 1.081 1274 R CB 1.064 31.311 30.300 -0.089 0.000 1.166 1274 R HN 0.183 nan 8.270 nan 0.000 0.534 1275 G N 0.739 109.593 108.800 0.091 0.000 2.163 1275 G HA2 -0.187 3.774 3.960 0.001 0.000 0.213 1275 G HA3 -0.187 3.774 3.960 0.001 0.000 0.213 1275 G C 0.069 175.090 174.900 0.201 0.000 0.991 1275 G CA -0.626 44.563 45.100 0.149 0.000 0.653 1275 G HN 0.092 nan 8.290 nan 0.000 0.518 1276 I N 1.615 122.259 120.570 0.124 0.000 2.519 1276 I HA 0.306 4.476 4.170 0.001 0.000 0.287 1276 I C 0.544 176.675 176.117 0.024 0.000 1.047 1276 I CA -0.158 61.162 61.300 0.035 0.000 1.381 1276 I CB 1.142 39.057 38.000 -0.142 0.000 1.417 1276 I HN 0.061 nan 8.210 nan 0.000 0.540 1277 D N 4.738 125.112 120.400 -0.044 0.000 2.454 1277 D HA 0.193 4.833 4.640 0.001 0.000 0.219 1277 D C 0.208 176.493 176.300 -0.026 0.000 1.081 1277 D CA 0.688 54.684 54.000 -0.008 0.000 0.867 1277 D CB 1.021 41.778 40.800 -0.072 0.000 1.054 1277 D HN 0.399 nan 8.370 nan 0.000 0.500 1278 M N 0.337 119.821 119.600 -0.194 0.000 2.386 1278 M HA 0.425 4.905 4.480 0.001 0.000 0.293 1278 M C -1.483 174.613 176.300 -0.340 0.000 1.120 1278 M CA -0.574 54.625 55.300 -0.169 0.000 0.909 1278 M CB 2.888 35.351 32.600 -0.229 0.000 1.661 1278 M HN -0.310 nan 8.290 nan 0.000 0.452 1279 F N 0.406 120.405 119.950 0.081 0.000 2.576 1279 F HA 0.603 5.130 4.527 0.000 0.000 0.313 1279 F C -0.688 175.085 175.800 -0.046 0.000 1.078 1279 F CA -0.880 57.232 58.000 0.187 0.000 0.921 1279 F CB 1.962 41.170 39.000 0.348 0.000 1.232 1279 F HN 0.586 nan 8.300 nan 0.000 0.459 1280 D N 0.158 120.703 120.400 0.241 0.000 2.879 1280 D HA 0.588 5.229 4.640 0.001 0.000 0.236 1280 D C -1.545 174.844 176.300 0.149 0.000 1.171 1280 D CA -0.426 53.531 54.000 -0.072 0.000 0.868 1280 D CB 1.910 42.717 40.800 0.011 0.000 1.598 1280 D HN 0.741 nan 8.370 nan 0.000 0.497 1281 C N 2.633 122.014 119.300 0.136 0.000 3.082 1281 C HA 0.518 4.978 4.460 0.001 0.000 0.324 1281 C C 0.851 175.929 174.990 0.146 0.000 1.210 1281 C CA -0.534 58.633 59.018 0.249 0.000 1.366 1281 C CB 1.297 29.286 27.740 0.415 0.000 1.756 1281 C HN 0.742 nan 8.230 nan 0.000 0.485 1282 V N 5.138 125.112 119.914 0.099 0.000 2.535 1282 V HA 0.012 4.133 4.120 0.001 0.000 0.246 1282 V C 1.783 177.918 176.094 0.068 0.000 1.045 1282 V CA 1.539 63.877 62.300 0.064 0.000 1.058 1282 V CB -0.451 31.408 31.823 0.061 0.000 0.689 1282 V HN 0.865 nan 8.190 nan 0.000 0.461 1283 L N 0.605 121.886 121.223 0.098 0.000 1.997 1283 L HA -0.181 4.159 4.340 0.001 0.000 0.227 1283 L C 0.465 177.436 176.870 0.168 0.000 1.087 1283 L CA 3.190 58.126 54.840 0.161 0.000 0.797 1283 L CB -3.150 39.050 42.059 0.236 0.000 0.902 1283 L HN 0.313 nan 8.230 nan 0.000 0.441 1284 P HA -0.195 nan 4.420 nan 0.000 0.216 1284 P C 1.794 179.118 177.300 0.040 0.000 1.167 1284 P CA 2.770 65.832 63.100 -0.062 0.000 0.914 1284 P CB -0.223 31.189 31.700 -0.480 0.000 0.793 1285 T N -3.495 111.064 114.554 0.008 0.000 2.896 1285 T HA -0.058 4.292 4.350 0.001 0.000 0.263 1285 T C 1.971 176.678 174.700 0.012 0.000 1.050 1285 T CA 0.592 62.696 62.100 0.007 0.000 1.140 1285 T CB -0.510 68.352 68.868 -0.010 0.000 0.877 1285 T HN -0.039 nan 8.240 nan 0.000 0.457 1286 R N 1.136 121.652 120.500 0.027 0.000 2.057 1286 R HA 0.012 4.352 4.340 0.001 0.000 0.229 1286 R C 2.609 178.918 176.300 0.016 0.000 1.136 1286 R CA 1.594 57.706 56.100 0.021 0.000 0.952 1286 R CB -0.783 29.538 30.300 0.035 0.000 0.848 1286 R HN 0.421 nan 8.270 nan 0.000 0.430 1287 S N -0.098 115.627 115.700 0.042 0.000 2.400 1287 S HA -0.113 4.357 4.470 0.001 0.000 0.232 1287 S C 1.824 176.393 174.600 -0.053 0.000 1.025 1287 S CA 1.235 59.426 58.200 -0.015 0.000 0.993 1287 S CB -0.396 62.785 63.200 -0.031 0.000 0.808 1287 S HN 0.661 nan 8.310 nan 0.000 0.478 1288 G N 0.901 109.693 108.800 -0.013 0.000 2.498 1288 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 1288 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 1288 G C 1.489 176.363 174.900 -0.042 0.000 1.119 1288 G CA 0.285 45.371 45.100 -0.024 0.000 0.766 1288 G HN 0.267 nan 8.290 nan 0.000 0.552 1289 R N -0.167 120.311 120.500 -0.038 0.000 2.282 1289 R HA 0.133 4.473 4.340 0.001 0.000 0.195 1289 R C 1.174 177.444 176.300 -0.051 0.000 0.909 1289 R CA 0.142 56.215 56.100 -0.044 0.000 1.039 1289 R CB -0.168 30.111 30.300 -0.034 0.000 1.015 1289 R HN 0.460 nan 8.270 nan 0.000 0.513 1290 N N -0.184 118.486 118.700 -0.051 0.000 2.235 1290 N HA 0.076 4.816 4.740 0.001 0.000 0.209 1290 N C 0.407 175.875 175.510 -0.069 0.000 1.122 1290 N CA 0.424 53.443 53.050 -0.052 0.000 0.845 1290 N CB 1.010 39.474 38.487 -0.039 0.000 1.004 1290 N HN 0.171 nan 8.380 nan 0.000 0.499 1291 G N 1.609 110.357 108.800 -0.086 0.000 2.143 1291 G HA2 -0.318 3.643 3.960 0.001 0.000 0.249 1291 G HA3 -0.318 3.643 3.960 0.001 0.000 0.249 1291 G C -0.087 174.729 174.900 -0.141 0.000 0.981 1291 G CA -0.109 44.930 45.100 -0.102 0.000 0.665 1291 G HN 0.441 nan 8.290 nan 0.000 0.528 1292 Q N 0.148 119.841 119.800 -0.178 0.000 2.257 1292 Q HA 0.703 5.043 4.340 0.001 0.000 0.255 1292 Q C -0.056 175.708 176.000 -0.395 0.000 0.920 1292 Q CA 0.035 55.663 55.803 -0.292 0.000 0.927 1292 Q CB 1.195 29.737 28.738 -0.326 0.000 1.229 1292 Q HN 0.895 nan 8.270 nan 0.000 0.433 1293 A N 3.866 126.418 122.820 -0.446 0.000 2.355 1293 A HA 0.654 4.975 4.320 0.001 0.000 0.317 1293 A C -1.457 175.820 177.584 -0.513 0.000 1.094 1293 A CA -0.591 51.223 52.037 -0.371 0.000 0.764 1293 A CB 0.659 19.486 19.000 -0.288 0.000 1.230 1293 A HN 0.707 nan 8.150 nan 0.000 0.448 1294 F N 1.493 121.323 119.950 -0.201 0.000 2.394 1294 F HA 0.592 5.119 4.527 0.000 0.000 0.340 1294 F C 1.264 176.524 175.800 -0.899 0.000 1.105 1294 F CA 0.419 58.112 58.000 -0.512 0.000 1.124 1294 F CB 2.055 40.710 39.000 -0.574 0.000 1.145 1294 F HN 0.669 nan 8.300 nan 0.000 0.505 1295 T N -1.887 112.307 114.554 -0.600 0.000 2.865 1295 T HA 0.263 4.613 4.350 0.001 0.000 0.294 1295 T C 0.117 174.737 174.700 -0.134 0.000 1.119 1295 T CA -0.878 60.938 62.100 -0.474 0.000 1.007 1295 T CB 0.757 69.530 68.868 -0.159 0.000 1.225 1295 T HN 0.588 nan 8.240 nan 0.000 0.515 1296 W N 0.268 121.779 121.300 0.352 0.000 2.611 1296 W HA 0.132 4.793 4.660 0.001 0.000 0.251 1296 W C 0.963 177.598 176.519 0.195 0.000 1.265 1296 W CA 0.030 57.629 57.345 0.423 0.000 1.295 1296 W CB 0.147 29.801 29.460 0.324 0.000 1.129 1296 W HN 0.636 nan 8.180 nan 0.000 0.630 1297 D N -0.363 120.152 120.400 0.193 0.000 2.427 1297 D HA 0.281 4.921 4.640 0.001 0.000 0.224 1297 D C 1.045 177.173 176.300 -0.288 0.000 1.157 1297 D CA 0.781 54.771 54.000 -0.016 0.000 0.828 1297 D CB 0.155 40.963 40.800 0.013 0.000 0.974 1297 D HN 0.092 nan 8.370 nan 0.000 0.498 1298 G N 2.349 110.798 108.800 -0.585 0.000 2.603 1298 G HA2 -0.148 3.812 3.960 0.001 0.000 0.686 1298 G HA3 -0.148 3.812 3.960 0.001 0.000 0.686 1298 G C -3.028 171.572 174.900 -0.500 0.000 1.286 1298 G CA -1.127 43.317 45.100 -1.093 0.000 0.871 1298 G HN -0.090 nan 8.290 nan 0.000 0.568 1299 P HA 0.610 nan 4.420 nan 0.000 0.277 1299 P C -0.025 177.132 177.300 -0.239 0.000 1.240 1299 P CA -0.227 62.699 63.100 -0.290 0.000 0.798 1299 P CB 1.139 32.692 31.700 -0.246 0.000 0.979 1300 I N -1.842 118.571 120.570 -0.262 0.000 2.769 1300 I HA 0.556 4.727 4.170 0.001 0.000 0.298 1300 I C -0.932 175.075 176.117 -0.184 0.000 1.128 1300 I CA -1.282 59.931 61.300 -0.144 0.000 1.031 1300 I CB 2.433 40.325 38.000 -0.179 0.000 1.235 1300 I HN 0.054 nan 8.210 nan 0.000 0.423 1301 N N 3.862 122.556 118.700 -0.009 0.000 2.485 1301 N HA 0.280 5.021 4.740 0.001 0.000 0.243 1301 N C 0.478 176.017 175.510 0.049 0.000 0.987 1301 N CA -0.537 52.497 53.050 -0.026 0.000 0.940 1301 N CB 1.169 39.670 38.487 0.023 0.000 1.122 1301 N HN 0.818 nan 8.380 nan 0.000 0.509 1302 I N 3.490 123.963 120.570 -0.161 0.000 2.502 1302 I HA -0.174 3.996 4.170 0.001 0.000 0.258 1302 I C 1.721 177.995 176.117 0.262 0.000 1.172 1302 I CA 1.305 62.512 61.300 -0.154 0.000 1.430 1302 I CB -0.027 37.844 38.000 -0.216 0.000 1.086 1302 I HN 0.582 nan 8.210 nan 0.000 0.440 1303 R N 0.258 120.864 120.500 0.177 0.000 2.235 1303 R HA -0.057 4.283 4.340 0.001 0.000 0.213 1303 R C 0.963 177.459 176.300 0.326 0.000 1.059 1303 R CA 0.080 56.289 56.100 0.183 0.000 0.997 1303 R CB -0.652 29.666 30.300 0.030 0.000 0.884 1303 R HN 0.400 nan 8.270 nan 0.000 0.462 1304 N N 1.124 120.019 118.700 0.325 0.000 2.458 1304 N HA -0.044 4.697 4.740 0.001 0.000 0.258 1304 N C 0.785 176.363 175.510 0.113 0.000 1.219 1304 N CA 0.355 53.519 53.050 0.189 0.000 0.902 1304 N CB 1.244 39.792 38.487 0.101 0.000 1.076 1304 N HN 0.072 nan 8.380 nan 0.000 0.455 1305 A N 4.499 127.343 122.820 0.040 0.000 2.032 1305 A HA -0.242 4.079 4.320 0.001 0.000 0.221 1305 A C 2.344 179.787 177.584 -0.235 0.000 1.165 1305 A CA 2.352 54.358 52.037 -0.051 0.000 0.645 1305 A CB -0.730 18.259 19.000 -0.019 0.000 0.807 1305 A HN 0.889 nan 8.150 nan 0.000 0.453 1306 R N -1.354 118.941 120.500 -0.341 0.000 2.193 1306 R HA -0.041 4.300 4.340 0.001 0.000 0.229 1306 R C 1.552 177.506 176.300 -0.576 0.000 1.110 1306 R CA 1.795 57.598 56.100 -0.494 0.000 0.988 1306 R CB -1.408 28.493 30.300 -0.665 0.000 0.871 1306 R HN 0.624 nan 8.270 nan 0.000 0.458 1307 F N 0.768 120.557 119.950 -0.268 0.000 2.727 1307 F HA 0.092 4.619 4.527 0.000 0.000 0.302 1307 F C 2.552 178.094 175.800 -0.431 0.000 1.097 1307 F CA 0.410 58.241 58.000 -0.282 0.000 1.330 1307 F CB 0.207 39.084 39.000 -0.205 0.000 1.084 1307 F HN 0.283 nan 8.300 nan 0.000 0.578 1308 S N -0.149 115.253 115.700 -0.498 0.000 2.419 1308 S HA -0.183 4.288 4.470 0.001 0.000 0.235 1308 S C 1.350 175.921 174.600 -0.047 0.000 1.019 1308 S CA 1.488 59.473 58.200 -0.358 0.000 0.982 1308 S CB -0.301 62.799 63.200 -0.167 0.000 0.789 1308 S HN 0.548 nan 8.310 nan 0.000 0.490 1309 E N 0.375 120.547 120.200 -0.046 0.000 2.660 1309 E HA 0.180 4.530 4.350 0.001 0.000 0.216 1309 E C -0.954 175.660 176.600 0.023 0.000 0.986 1309 E CA -0.235 56.168 56.400 0.005 0.000 1.037 1309 E CB 0.415 30.110 29.700 -0.008 0.000 1.041 1309 E HN 0.340 nan 8.360 nan 0.000 0.480 1310 D N 1.305 121.733 120.400 0.046 0.000 2.344 1310 D HA 0.044 4.684 4.640 0.001 0.000 0.253 1310 D C 0.883 177.235 176.300 0.088 0.000 1.255 1310 D CA 0.064 54.114 54.000 0.083 0.000 0.894 1310 D CB 0.803 41.716 40.800 0.187 0.000 1.067 1310 D HN 0.200 nan 8.370 nan 0.000 0.492 1311 L N 2.954 124.216 121.223 0.064 0.000 2.552 1311 L HA 0.002 4.342 4.340 0.001 0.000 0.227 1311 L C 1.260 178.167 176.870 0.061 0.000 1.146 1311 L CA 0.468 55.345 54.840 0.063 0.000 0.858 1311 L CB -0.142 41.942 42.059 0.042 0.000 0.969 1311 L HN 0.133 nan 8.230 nan 0.000 0.451 1312 K N 1.111 121.547 120.400 0.061 0.000 2.168 1312 K HA 0.204 4.524 4.320 0.001 0.000 0.258 1312 K C -2.138 174.488 176.600 0.043 0.000 1.010 1312 K CA -1.708 54.609 56.287 0.050 0.000 0.929 1312 K CB 0.166 32.697 32.500 0.051 0.000 0.998 1312 K HN -0.160 nan 8.250 nan 0.000 0.479 1313 P HA -0.024 nan 4.420 nan 0.000 0.275 1313 P C 0.677 177.943 177.300 -0.057 0.000 1.266 1313 P CA -0.446 62.664 63.100 0.017 0.000 0.793 1313 P CB 0.507 32.228 31.700 0.035 0.000 1.074 1314 L N -0.376 120.753 121.223 -0.157 0.000 2.021 1314 L HA -0.111 4.230 4.340 0.001 0.000 0.215 1314 L C 1.178 177.903 176.870 -0.242 0.000 1.074 1314 L CA 1.994 56.627 54.840 -0.344 0.000 0.760 1314 L CB -1.206 40.399 42.059 -0.757 0.000 0.889 1314 L HN 0.550 nan 8.230 nan 0.000 0.433 1315 D N -2.339 117.998 120.400 -0.104 0.000 2.896 1315 D HA 0.072 4.712 4.640 0.001 0.000 0.241 1315 D C 0.895 177.269 176.300 0.123 0.000 1.188 1315 D CA 0.536 54.572 54.000 0.060 0.000 0.879 1315 D CB 1.888 42.800 40.800 0.188 0.000 1.553 1315 D HN 0.076 nan 8.370 nan 0.000 0.515 1316 S N 2.788 118.570 115.700 0.135 0.000 2.440 1316 S HA -0.183 4.287 4.470 0.001 0.000 0.240 1316 S C 1.007 175.680 174.600 0.122 0.000 1.014 1316 S CA 1.161 59.432 58.200 0.118 0.000 0.980 1316 S CB -0.031 63.237 63.200 0.112 0.000 0.775 1316 S HN 0.638 nan 8.310 nan 0.000 0.499 1317 E N -0.714 119.600 120.200 0.190 0.000 2.485 1317 E HA 0.232 4.582 4.350 0.001 0.000 0.213 1317 E C 0.412 176.975 176.600 -0.061 0.000 0.923 1317 E CA -0.290 56.165 56.400 0.092 0.000 1.054 1317 E CB 0.631 30.409 29.700 0.131 0.000 1.077 1317 E HN 0.495 nan 8.360 nan 0.000 0.509 1318 C N 2.423 121.813 119.300 0.149 0.000 2.563 1318 C HA -0.069 4.391 4.460 0.001 0.000 0.411 1318 C C 1.457 176.412 174.990 -0.057 0.000 1.386 1318 C CA 0.085 59.176 59.018 0.121 0.000 1.703 1318 C CB -0.205 27.747 27.740 0.354 0.000 2.596 1318 C HN 0.456 nan 8.230 nan 0.000 0.605 1319 H N 3.525 122.728 119.070 0.221 0.000 2.551 1319 H HA 0.107 4.663 4.556 0.000 0.000 0.271 1319 H C 1.459 176.873 175.328 0.143 0.000 0.984 1319 H CA 0.634 56.774 56.048 0.153 0.000 1.164 1319 H CB -0.762 29.073 29.762 0.121 0.000 1.437 1319 H HN 0.906 nan 8.280 nan 0.000 0.550 1320 C N 0.812 120.265 119.300 0.255 0.000 2.741 1320 C HA 0.406 4.866 4.460 0.001 0.000 0.403 1320 C C 2.335 177.442 174.990 0.195 0.000 1.282 1320 C CA 0.072 59.223 59.018 0.222 0.000 2.053 1320 C CB 0.515 28.398 27.740 0.239 0.000 2.731 1320 C HN 0.489 nan 8.230 nan 0.000 0.680 1321 A N 2.466 125.390 122.820 0.174 0.000 1.948 1321 A HA -0.059 4.261 4.320 0.001 0.000 0.220 1321 A C 2.135 179.819 177.584 0.167 0.000 1.177 1321 A CA 2.381 54.502 52.037 0.140 0.000 0.636 1321 A CB -1.001 18.093 19.000 0.155 0.000 0.815 1321 A HN 1.098 nan 8.150 nan 0.000 0.449 1322 V N -0.948 119.139 119.914 0.288 0.000 2.261 1322 V HA -0.326 3.794 4.120 0.001 0.000 0.246 1322 V C 2.494 178.758 176.094 0.282 0.000 1.047 1322 V CA 2.105 64.656 62.300 0.419 0.000 1.015 1322 V CB -1.192 30.851 31.823 0.367 0.000 0.642 1322 V HN 0.685 nan 8.190 nan 0.000 0.446 1323 C N -0.043 119.378 119.300 0.203 0.000 2.472 1323 C HA 0.020 4.481 4.460 0.001 0.000 0.278 1323 C C 3.107 178.138 174.990 0.070 0.000 1.447 1323 C CA 0.890 59.984 59.018 0.127 0.000 1.773 1323 C CB -1.560 26.264 27.740 0.141 0.000 1.793 1323 C HN 0.747 nan 8.230 nan 0.000 0.544 1324 Q N 0.245 120.068 119.800 0.039 0.000 2.354 1324 Q HA 0.127 4.467 4.340 0.001 0.000 0.203 1324 Q C 1.950 177.858 176.000 -0.153 0.000 0.933 1324 Q CA 1.629 57.417 55.803 -0.026 0.000 0.901 1324 Q CB -0.425 28.309 28.738 -0.008 0.000 1.007 1324 Q HN 0.760 nan 8.270 nan 0.000 0.495 1325 K N -1.902 118.318 120.400 -0.301 0.000 2.474 1325 K HA 0.361 4.681 4.320 0.001 0.000 0.204 1325 K C 0.102 176.283 176.600 -0.698 0.000 1.220 1325 K CA 0.059 55.955 56.287 -0.650 0.000 0.966 1325 K CB 0.495 32.283 32.500 -1.188 0.000 1.049 1325 K HN 0.543 nan 8.250 nan 0.000 0.554 1326 W N 1.317 122.657 121.300 0.067 0.000 2.736 1326 W HA 0.530 5.191 4.660 0.001 0.000 0.335 1326 W C 0.271 176.836 176.519 0.076 0.000 1.059 1326 W CA -1.199 56.202 57.345 0.095 0.000 1.226 1326 W CB 1.661 31.238 29.460 0.196 0.000 1.416 1326 W HN 0.250 nan 8.180 nan 0.000 0.505 1327 S N 1.309 117.207 115.700 0.330 0.000 2.645 1327 S HA 0.378 4.848 4.470 0.001 0.000 0.266 1327 S C 1.031 175.742 174.600 0.185 0.000 1.258 1327 S CA -0.425 57.895 58.200 0.199 0.000 0.990 1327 S CB 1.762 65.060 63.200 0.162 0.000 0.967 1327 S HN 0.497 nan 8.310 nan 0.000 0.556 1328 R N 0.540 121.100 120.500 0.100 0.000 2.092 1328 R HA -0.021 4.319 4.340 0.001 0.000 0.231 1328 R C 2.580 178.960 176.300 0.133 0.000 1.119 1328 R CA 1.256 57.379 56.100 0.038 0.000 0.970 1328 R CB -0.979 29.311 30.300 -0.018 0.000 0.864 1328 R HN 0.812 nan 8.270 nan 0.000 0.440 1329 A N 0.524 123.446 122.820 0.170 0.000 1.908 1329 A HA -0.238 4.083 4.320 0.001 0.000 0.218 1329 A C 1.962 179.730 177.584 0.307 0.000 1.181 1329 A CA 1.334 53.497 52.037 0.209 0.000 0.627 1329 A CB -0.677 18.417 19.000 0.157 0.000 0.818 1329 A HN 0.424 nan 8.150 nan 0.000 0.445 1330 Y N 0.601 120.982 120.300 0.135 0.000 2.220 1330 Y HA -0.132 4.418 4.550 0.000 0.000 0.291 1330 Y C 2.056 178.011 175.900 0.092 0.000 1.129 1330 Y CA 1.035 59.200 58.100 0.108 0.000 1.161 1330 Y CB -0.148 38.370 38.460 0.098 0.000 0.997 1330 Y HN 0.234 nan 8.280 nan 0.000 0.522 1331 I N 0.063 120.631 120.570 -0.003 0.000 2.226 1331 I HA -0.315 3.856 4.170 0.001 0.000 0.245 1331 I C 2.421 178.482 176.117 -0.093 0.000 1.100 1331 I CA 2.067 63.275 61.300 -0.153 0.000 1.374 1331 I CB -1.751 36.199 38.000 -0.084 0.000 1.057 1331 I HN 0.354 nan 8.210 nan 0.000 0.413 1332 H N 0.850 119.888 119.070 -0.052 0.000 2.289 1332 H HA -0.261 4.296 4.556 0.001 0.000 0.296 1332 H C 2.571 177.889 175.328 -0.017 0.000 1.091 1332 H CA 2.469 58.511 56.048 -0.011 0.000 1.274 1332 H CB -0.442 29.370 29.762 0.083 0.000 1.364 1332 H HN 0.349 nan 8.280 nan 0.000 0.490 1333 H N 0.459 119.486 119.070 -0.073 0.000 2.352 1333 H HA -0.124 4.432 4.556 0.001 0.000 0.299 1333 H C 2.292 177.476 175.328 -0.239 0.000 1.097 1333 H CA 1.899 57.867 56.048 -0.133 0.000 1.311 1333 H CB -0.207 29.577 29.762 0.036 0.000 1.377 1333 H HN 0.449 nan 8.280 nan 0.000 0.504 1334 L N 0.217 121.281 121.223 -0.264 0.000 2.027 1334 L HA -0.172 4.168 4.340 0.001 0.000 0.206 1334 L C 2.928 179.614 176.870 -0.306 0.000 1.074 1334 L CA 1.063 55.696 54.840 -0.345 0.000 0.745 1334 L CB -0.323 41.450 42.059 -0.478 0.000 0.898 1334 L HN 0.253 nan 8.230 nan 0.000 0.433 1335 I N -0.616 119.788 120.570 -0.276 0.000 2.315 1335 I HA -0.230 3.940 4.170 0.001 0.000 0.248 1335 I C 2.604 178.576 176.117 -0.241 0.000 1.117 1335 I CA 1.104 62.268 61.300 -0.227 0.000 1.404 1335 I CB -0.307 37.582 38.000 -0.185 0.000 1.071 1335 I HN 0.224 nan 8.210 nan 0.000 0.419 1336 R N 0.804 121.110 120.500 -0.323 0.000 2.189 1336 R HA 0.010 4.350 4.340 0.001 0.000 0.218 1336 R C 2.052 178.191 176.300 -0.268 0.000 1.074 1336 R CA 1.078 56.998 56.100 -0.301 0.000 0.991 1336 R CB -0.179 29.879 30.300 -0.403 0.000 0.883 1336 R HN 0.297 nan 8.270 nan 0.000 0.457 1337 A N 0.258 122.883 122.820 -0.325 0.000 2.251 1337 A HA 0.217 4.537 4.320 0.001 0.000 0.209 1337 A C 1.368 178.838 177.584 -0.190 0.000 1.187 1337 A CA 0.687 52.553 52.037 -0.284 0.000 0.823 1337 A CB 0.004 18.767 19.000 -0.394 0.000 0.846 1337 A HN 0.403 nan 8.150 nan 0.000 0.486 1338 G N -0.404 108.290 108.800 -0.177 0.000 2.143 1338 G HA2 -0.205 3.755 3.960 0.001 0.000 0.248 1338 G HA3 -0.205 3.755 3.960 0.001 0.000 0.248 1338 G C -0.261 174.565 174.900 -0.123 0.000 0.991 1338 G CA 0.232 45.253 45.100 -0.131 0.000 0.689 1338 G HN 0.454 nan 8.290 nan 0.000 0.522 1339 E N 0.383 120.492 120.200 -0.150 0.000 2.290 1339 E HA 0.282 4.632 4.350 0.001 0.000 0.277 1339 E C 1.806 178.328 176.600 -0.130 0.000 1.035 1339 E CA -0.804 55.516 56.400 -0.134 0.000 0.873 1339 E CB 0.602 30.208 29.700 -0.156 0.000 1.029 1339 E HN 0.147 nan 8.360 nan 0.000 0.419 1340 I N 2.832 123.342 120.570 -0.100 0.000 2.335 1340 I HA -0.281 3.889 4.170 0.001 0.000 0.251 1340 I C 2.170 178.224 176.117 -0.106 0.000 1.129 1340 I CA 0.786 62.032 61.300 -0.089 0.000 1.402 1340 I CB -0.794 37.166 38.000 -0.065 0.000 1.069 1340 I HN 0.455 nan 8.210 nan 0.000 0.424 1341 L N 1.725 122.873 121.223 -0.125 0.000 2.081 1341 L HA -0.129 4.211 4.340 0.001 0.000 0.212 1341 L C 2.423 179.173 176.870 -0.199 0.000 1.080 1341 L CA 2.286 57.031 54.840 -0.158 0.000 0.754 1341 L CB -1.247 40.699 42.059 -0.188 0.000 0.893 1341 L HN 0.218 nan 8.230 nan 0.000 0.433 1342 G N -1.140 107.527 108.800 -0.221 0.000 2.446 1342 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 1342 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 1342 G C 1.601 176.408 174.900 -0.156 0.000 1.168 1342 G CA 0.946 45.908 45.100 -0.230 0.000 0.771 1342 G HN 0.666 nan 8.290 nan 0.000 0.551 1343 A N 0.356 123.102 122.820 -0.124 0.000 1.902 1343 A HA 0.035 4.355 4.320 0.001 0.000 0.217 1343 A C 2.454 179.999 177.584 -0.064 0.000 1.181 1343 A CA 1.986 53.971 52.037 -0.087 0.000 0.623 1343 A CB -0.350 18.605 19.000 -0.076 0.000 0.818 1343 A HN 0.286 nan 8.150 nan 0.000 0.443 1344 M N -0.977 118.582 119.600 -0.068 0.000 2.080 1344 M HA -0.119 4.361 4.480 0.001 0.000 0.260 1344 M C 2.070 178.358 176.300 -0.020 0.000 1.068 1344 M CA 1.313 56.588 55.300 -0.041 0.000 1.109 1344 M CB -1.366 31.206 32.600 -0.047 0.000 1.342 1344 M HN 0.328 nan 8.290 nan 0.000 0.405 1345 L N -0.199 120.992 121.223 -0.054 0.000 2.017 1345 L HA -0.166 4.174 4.340 0.001 0.000 0.208 1345 L C 2.483 179.381 176.870 0.046 0.000 1.073 1345 L CA 1.646 56.478 54.840 -0.014 0.000 0.745 1345 L CB -1.028 40.961 42.059 -0.117 0.000 0.894 1345 L HN 0.280 nan 8.230 nan 0.000 0.432 1346 M N -1.327 118.273 119.600 -0.001 0.000 2.080 1346 M HA -0.182 4.298 4.480 0.001 0.000 0.260 1346 M C 2.180 178.528 176.300 0.080 0.000 1.068 1346 M CA 1.830 57.145 55.300 0.025 0.000 1.109 1346 M CB -1.417 31.157 32.600 -0.042 0.000 1.342 1346 M HN 0.259 nan 8.290 nan 0.000 0.405 1347 T N 0.653 115.231 114.554 0.041 0.000 2.737 1347 T HA -0.124 4.226 4.350 0.001 0.000 0.265 1347 T C 2.123 176.863 174.700 0.067 0.000 1.038 1347 T CA 2.113 64.239 62.100 0.043 0.000 1.144 1347 T CB -0.544 68.332 68.868 0.013 0.000 0.866 1347 T HN 0.632 nan 8.240 nan 0.000 0.434 1348 E N 1.394 121.643 120.200 0.081 0.000 2.085 1348 E HA -0.272 4.078 4.350 0.001 0.000 0.194 1348 E C 1.762 178.441 176.600 0.131 0.000 0.994 1348 E CA 2.098 58.560 56.400 0.104 0.000 0.801 1348 E CB -1.285 28.488 29.700 0.123 0.000 0.743 1348 E HN 0.878 nan 8.360 nan 0.000 0.453 1349 H N 1.167 120.296 119.070 0.100 0.000 2.326 1349 H HA -0.063 4.493 4.556 0.000 0.000 0.301 1349 H C 2.123 177.548 175.328 0.162 0.000 1.081 1349 H CA 2.036 58.157 56.048 0.122 0.000 1.334 1349 H CB -0.068 29.743 29.762 0.081 0.000 1.385 1349 H HN 0.334 nan 8.280 nan 0.000 0.504 1350 N N 0.557 119.229 118.700 -0.047 0.000 2.043 1350 N HA -0.148 4.592 4.740 0.001 0.000 0.193 1350 N C 2.194 177.739 175.510 0.058 0.000 1.037 1350 N CA 1.667 54.741 53.050 0.039 0.000 0.851 1350 N CB -0.370 38.239 38.487 0.203 0.000 1.027 1350 N HN 0.453 nan 8.380 nan 0.000 0.422 1351 I N 0.950 121.533 120.570 0.021 0.000 2.264 1351 I HA -0.262 3.909 4.170 0.001 0.000 0.248 1351 I C 2.205 178.371 176.117 0.080 0.000 1.111 1351 I CA 1.097 62.419 61.300 0.036 0.000 1.382 1351 I CB -0.286 37.749 38.000 0.058 0.000 1.060 1351 I HN 0.091 nan 8.210 nan 0.000 0.418 1352 A N 0.454 123.308 122.820 0.057 0.000 1.930 1352 A HA -0.233 4.087 4.320 0.001 0.000 0.217 1352 A C 2.213 179.824 177.584 0.044 0.000 1.175 1352 A CA 1.176 53.255 52.037 0.069 0.000 0.627 1352 A CB -0.880 18.173 19.000 0.089 0.000 0.815 1352 A HN 0.458 nan 8.150 nan 0.000 0.443 1353 F N -0.751 119.078 119.950 -0.202 0.000 2.134 1353 F HA -0.189 4.338 4.527 0.000 0.000 0.299 1353 F C 2.067 177.742 175.800 -0.209 0.000 1.097 1353 F CA 1.720 59.566 58.000 -0.255 0.000 1.264 1353 F CB -0.357 38.394 39.000 -0.414 0.000 1.001 1353 F HN 0.284 nan 8.300 nan 0.000 0.479 1354 Y N 0.817 120.970 120.300 -0.246 0.000 2.165 1354 Y HA -0.251 4.299 4.550 0.001 0.000 0.286 1354 Y C 2.610 178.306 175.900 -0.341 0.000 1.155 1354 Y CA 1.781 59.600 58.100 -0.468 0.000 1.164 1354 Y CB -0.807 37.207 38.460 -0.743 0.000 0.978 1354 Y HN 0.131 nan 8.280 nan 0.000 0.513 1355 Q N -0.036 119.764 119.800 -0.000 0.000 2.119 1355 Q HA -0.198 4.143 4.340 0.001 0.000 0.201 1355 Q C 2.139 178.122 176.000 -0.029 0.000 0.972 1355 Q CA 1.351 57.177 55.803 0.038 0.000 0.847 1355 Q CB -0.402 28.395 28.738 0.097 0.000 0.903 1355 Q HN 0.620 nan 8.270 nan 0.000 0.433 1356 Q N 0.050 119.806 119.800 -0.073 0.000 2.119 1356 Q HA -0.120 4.221 4.340 0.001 0.000 0.201 1356 Q C 2.084 178.052 176.000 -0.052 0.000 0.972 1356 Q CA 0.793 56.588 55.803 -0.013 0.000 0.847 1356 Q CB -0.116 28.664 28.738 0.070 0.000 0.903 1356 Q HN 0.197 nan 8.270 nan 0.000 0.433 1357 L N 0.101 121.154 121.223 -0.282 0.000 2.012 1357 L HA -0.210 4.131 4.340 0.001 0.000 0.210 1357 L C 1.940 178.699 176.870 -0.185 0.000 1.073 1357 L CA 1.764 56.459 54.840 -0.241 0.000 0.748 1357 L CB -0.336 41.323 42.059 -0.667 0.000 0.891 1357 L HN 0.230 nan 8.230 nan 0.000 0.431 1358 M N -1.020 118.474 119.600 -0.176 0.000 2.159 1358 M HA -0.163 4.317 4.480 0.001 0.000 0.263 1358 M C 2.321 178.559 176.300 -0.104 0.000 1.063 1358 M CA 1.571 56.805 55.300 -0.109 0.000 1.110 1358 M CB -1.508 31.088 32.600 -0.006 0.000 1.374 1358 M HN 0.398 nan 8.290 nan 0.000 0.411 1359 Q N 1.073 120.826 119.800 -0.079 0.000 2.050 1359 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 1359 Q C 1.898 177.805 176.000 -0.154 0.000 0.980 1359 Q CA 1.863 57.619 55.803 -0.079 0.000 0.840 1359 Q CB -0.157 28.561 28.738 -0.033 0.000 0.898 1359 Q HN 0.468 nan 8.270 nan 0.000 0.424 1360 K N -0.285 119.992 120.400 -0.205 0.000 2.147 1360 K HA -0.085 4.236 4.320 0.001 0.000 0.205 1360 K C 2.124 178.346 176.600 -0.630 0.000 1.049 1360 K CA 1.318 57.357 56.287 -0.414 0.000 0.936 1360 K CB -0.170 32.048 32.500 -0.469 0.000 0.722 1360 K HN 0.299 nan 8.250 nan 0.000 0.446 1361 I N 0.822 121.103 120.570 -0.483 0.000 2.202 1361 I HA -0.282 3.889 4.170 0.001 0.000 0.242 1361 I C 2.453 178.379 176.117 -0.317 0.000 1.091 1361 I CA 1.263 62.335 61.300 -0.380 0.000 1.368 1361 I CB -0.226 37.646 38.000 -0.213 0.000 1.058 1361 I HN 0.156 nan 8.210 nan 0.000 0.410 1362 R N 0.622 120.984 120.500 -0.230 0.000 2.083 1362 R HA -0.180 4.160 4.340 0.001 0.000 0.237 1362 R C 1.959 178.164 176.300 -0.157 0.000 1.137 1362 R CA 1.712 57.709 56.100 -0.171 0.000 0.951 1362 R CB -0.451 29.785 30.300 -0.105 0.000 0.851 1362 R HN 0.383 nan 8.270 nan 0.000 0.434 1363 D N 0.296 120.598 120.400 -0.163 0.000 2.097 1363 D HA -0.137 4.503 4.640 0.001 0.000 0.195 1363 D C 2.102 178.333 176.300 -0.115 0.000 0.989 1363 D CA 1.952 55.874 54.000 -0.129 0.000 0.827 1363 D CB -0.318 40.403 40.800 -0.131 0.000 0.966 1363 D HN 0.221 nan 8.370 nan 0.000 0.456 1364 S N 0.491 116.098 115.700 -0.156 0.000 2.368 1364 S HA -0.127 4.343 4.470 0.001 0.000 0.225 1364 S C 2.314 176.935 174.600 0.034 0.000 1.030 1364 S CA 0.644 58.819 58.200 -0.042 0.000 0.999 1364 S CB -0.692 62.498 63.200 -0.017 0.000 0.844 1364 S HN 0.258 nan 8.310 nan 0.000 0.459 1365 I N 1.756 122.302 120.570 -0.041 0.000 2.179 1365 I HA -0.148 4.022 4.170 0.001 0.000 0.242 1365 I C 3.020 179.114 176.117 -0.039 0.000 1.088 1365 I CA 1.435 62.700 61.300 -0.059 0.000 1.357 1365 I CB -0.611 37.248 38.000 -0.236 0.000 1.051 1365 I HN 0.425 nan 8.210 nan 0.000 0.409 1366 S N 0.366 116.028 115.700 -0.063 0.000 2.419 1366 S HA -0.201 4.269 4.470 0.001 0.000 0.235 1366 S C 1.666 176.250 174.600 -0.027 0.000 1.019 1366 S CA 1.511 59.681 58.200 -0.049 0.000 0.982 1366 S CB -0.251 62.914 63.200 -0.059 0.000 0.789 1366 S HN 0.453 nan 8.310 nan 0.000 0.490 1367 E N -0.491 119.700 120.200 -0.015 0.000 2.474 1367 E HA 0.248 4.598 4.350 0.001 0.000 0.195 1367 E C 0.988 177.600 176.600 0.021 0.000 1.039 1367 E CA 0.235 56.634 56.400 -0.001 0.000 0.881 1367 E CB 0.118 29.815 29.700 -0.005 0.000 0.970 1367 E HN 0.580 nan 8.360 nan 0.000 0.486 1368 G N 2.914 111.736 108.800 0.036 0.000 2.198 1368 G HA2 -0.347 3.614 3.960 0.001 0.000 0.260 1368 G HA3 -0.347 3.614 3.960 0.001 0.000 0.260 1368 G C 0.551 175.499 174.900 0.079 0.000 1.025 1368 G CA 0.762 45.897 45.100 0.057 0.000 0.769 1368 G HN 0.425 nan 8.290 nan 0.000 0.507 1369 R N -1.519 119.044 120.500 0.105 0.000 2.642 1369 R HA 0.463 4.803 4.340 0.001 0.000 0.435 1369 R C 1.272 177.681 176.300 0.181 0.000 1.046 1369 R CA -0.188 55.978 56.100 0.110 0.000 1.103 1369 R CB -0.192 30.156 30.300 0.080 0.000 1.425 1369 R HN 0.236 nan 8.270 nan 0.000 0.586 1370 F N 2.511 122.497 119.950 0.061 0.000 2.146 1370 F HA -0.137 4.390 4.527 0.000 0.000 0.298 1370 F C 2.365 178.256 175.800 0.151 0.000 1.096 1370 F CA 1.815 59.879 58.000 0.106 0.000 1.275 1370 F CB -0.071 38.961 39.000 0.054 0.000 1.008 1370 F HN 0.203 nan 8.300 nan 0.000 0.480 1371 S N -0.189 115.444 115.700 -0.111 0.000 2.370 1371 S HA -0.318 4.152 4.470 0.001 0.000 0.226 1371 S C 2.084 176.586 174.600 -0.163 0.000 1.033 1371 S CA 1.496 59.566 58.200 -0.216 0.000 1.011 1371 S CB -0.874 62.293 63.200 -0.054 0.000 0.852 1371 S HN 0.554 nan 8.310 nan 0.000 0.457 1372 Q N 0.518 120.291 119.800 -0.046 0.000 2.084 1372 Q HA -0.032 4.309 4.340 0.001 0.000 0.202 1372 Q C 1.800 177.792 176.000 -0.014 0.000 0.978 1372 Q CA 1.891 57.685 55.803 -0.015 0.000 0.844 1372 Q CB -0.895 27.861 28.738 0.029 0.000 0.898 1372 Q HN 0.673 nan 8.270 nan 0.000 0.426 1373 F N 0.314 120.202 119.950 -0.104 0.000 2.095 1373 F HA -0.140 4.387 4.527 0.000 0.000 0.298 1373 F C 1.899 177.648 175.800 -0.084 0.000 1.104 1373 F CA 1.709 59.667 58.000 -0.069 0.000 1.232 1373 F CB -0.773 38.220 39.000 -0.011 0.000 0.987 1373 F HN 0.134 nan 8.300 nan 0.000 0.475 1374 A N 0.215 122.838 122.820 -0.329 0.000 1.908 1374 A HA -0.235 4.086 4.320 0.001 0.000 0.218 1374 A C 2.260 179.747 177.584 -0.161 0.000 1.181 1374 A CA 2.844 54.672 52.037 -0.348 0.000 0.627 1374 A CB -1.665 17.031 19.000 -0.506 0.000 0.818 1374 A HN 0.571 nan 8.150 nan 0.000 0.445 1375 Q N -0.235 119.479 119.800 -0.144 0.000 2.020 1375 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 1375 Q C 1.793 177.747 176.000 -0.076 0.000 0.982 1375 Q CA 1.976 57.737 55.803 -0.069 0.000 0.838 1375 Q CB -1.098 27.607 28.738 -0.055 0.000 0.899 1375 Q HN 0.730 nan 8.270 nan 0.000 0.423 1376 D N -0.496 119.833 120.400 -0.119 0.000 2.123 1376 D HA -0.112 4.529 4.640 0.001 0.000 0.196 1376 D C 1.609 177.814 176.300 -0.158 0.000 0.992 1376 D CA 1.430 55.356 54.000 -0.122 0.000 0.833 1376 D CB -0.524 40.204 40.800 -0.120 0.000 0.954 1376 D HN 0.549 nan 8.370 nan 0.000 0.455 1377 F N 2.013 121.707 119.950 -0.426 0.000 2.069 1377 F HA -0.180 4.347 4.527 0.000 0.000 0.298 1377 F C 2.322 178.062 175.800 -0.100 0.000 1.113 1377 F CA 1.586 59.359 58.000 -0.378 0.000 1.214 1377 F CB -0.132 38.482 39.000 -0.644 0.000 0.978 1377 F HN -0.204 nan 8.300 nan 0.000 0.474 1378 R N 0.075 120.455 120.500 -0.199 0.000 2.096 1378 R HA -0.086 4.254 4.340 0.001 0.000 0.235 1378 R C 2.427 178.757 176.300 0.049 0.000 1.127 1378 R CA 1.084 57.163 56.100 -0.035 0.000 0.968 1378 R CB -0.797 29.645 30.300 0.237 0.000 0.861 1378 R HN 0.430 nan 8.270 nan 0.000 0.440 1379 A N 0.941 123.756 122.820 -0.009 0.000 1.930 1379 A HA -0.161 4.159 4.320 0.001 0.000 0.217 1379 A C 2.114 179.691 177.584 -0.011 0.000 1.175 1379 A CA 1.197 53.243 52.037 0.015 0.000 0.627 1379 A CB -0.312 18.684 19.000 -0.005 0.000 0.815 1379 A HN 0.206 nan 8.150 nan 0.000 0.443 1380 R N -2.598 117.858 120.500 -0.074 0.000 2.090 1380 R HA -0.040 4.301 4.340 0.001 0.000 0.219 1380 R C 2.015 178.254 176.300 -0.101 0.000 1.100 1380 R CA 1.047 57.114 56.100 -0.056 0.000 0.991 1380 R CB -0.402 29.885 30.300 -0.022 0.000 0.893 1380 R HN 0.499 nan 8.270 nan 0.000 0.443 1381 Y N 0.077 120.103 120.300 -0.457 0.000 2.333 1381 Y HA -0.076 4.474 4.550 0.000 0.000 0.290 1381 Y C -0.137 175.400 175.900 -0.605 0.000 1.144 1381 Y CA 1.079 58.783 58.100 -0.659 0.000 1.228 1381 Y CB 0.116 37.769 38.460 -1.346 0.000 0.985 1381 Y HN -0.083 nan 8.280 nan 0.000 0.542 1382 F N 0.000 119.888 119.950 -0.103 0.000 2.286 1382 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1382 F CA 0.000 57.944 58.000 -0.093 0.000 1.383 1382 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 1382 F HN 0.000 nan 8.300 nan 0.000 0.574