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 2qom_1_A DATA FIRST_RESID 1024 DATA SEQUENCE NLNKRMGDLR DINGEAGAWA RIMSGTGSAS GGFSDNYTHV QVGVDKKHEL DATA SEQUENCE XXLDLFTGFT VTHTDSSASA DVFSGKTKSV GAGLYASAMF DSGAYIDLIG DATA SEQUENCE KYVHHDNEYT AXXXGLGTRD YSTHSWYAGA EAGYRYHVTE DAWIEPQAEL DATA SEQUENCE VYGSVSGKQF XXXXXXXXLS MKDKDYNPLI GRTGVDVGKS FSGKDWKVTA DATA SEQUENCE RAGLGYQFDL LANGETVLRD ASGEKRIKGE KDSRMLMSVG LNAEIRDNVR DATA SEQUENCE FGLEFEKSAF GKYNVDNAVN ANFRYSFG 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 1024 N HA 0.000 nan 4.740 nan 0.000 0.220 1024 N C 0.000 175.481 175.510 -0.048 0.000 1.280 1024 N CA 0.000 53.053 53.050 0.005 0.000 0.885 1024 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 1025 L N 4.292 125.487 121.223 -0.046 0.000 2.023 1025 L HA 0.268 4.585 4.340 -0.039 0.000 0.205 1025 L C 1.626 178.353 176.870 -0.238 0.000 1.073 1025 L CA 2.018 56.769 54.840 -0.149 0.000 0.745 1025 L CB -0.795 41.193 42.059 -0.117 0.000 0.900 1025 L HN 0.767 nan 8.230 nan 0.000 0.435 1026 N N -0.417 118.160 118.700 -0.205 0.000 2.205 1026 N HA -0.270 4.447 4.740 -0.039 0.000 0.186 1026 N C 1.892 177.305 175.510 -0.162 0.000 1.015 1026 N CA 1.787 54.717 53.050 -0.199 0.000 0.862 1026 N CB -0.101 38.303 38.487 -0.137 0.000 0.986 1026 N HN 0.446 nan 8.380 nan 0.000 0.429 1027 K N -0.206 120.123 120.400 -0.119 0.000 2.128 1027 K HA 0.091 4.388 4.320 -0.039 0.000 0.202 1027 K C 2.161 178.703 176.600 -0.097 0.000 1.050 1027 K CA 0.338 56.578 56.287 -0.078 0.000 0.966 1027 K CB -0.032 32.449 32.500 -0.032 0.000 0.759 1027 K HN 0.047 nan 8.250 nan 0.000 0.454 1028 R N -0.320 120.092 120.500 -0.147 0.000 2.092 1028 R HA -0.049 4.268 4.340 -0.039 0.000 0.231 1028 R C 1.692 177.694 176.300 -0.497 0.000 1.119 1028 R CA 1.607 57.575 56.100 -0.219 0.000 0.970 1028 R CB 0.131 30.284 30.300 -0.246 0.000 0.864 1028 R HN 0.212 nan 8.270 nan 0.000 0.440 1029 M N -2.444 116.838 119.600 -0.530 0.000 2.741 1029 M HA 0.304 4.761 4.480 -0.039 0.000 0.211 1029 M C 0.518 176.548 176.300 -0.450 0.000 1.811 1029 M CA 0.617 55.477 55.300 -0.733 0.000 1.185 1029 M CB 1.873 33.910 32.600 -0.939 0.000 1.320 1029 M HN 0.312 nan 8.290 nan 0.000 0.583 1030 G N -0.043 108.539 108.800 -0.364 0.000 2.339 1030 G HA2 -0.035 3.902 3.960 -0.039 0.000 0.275 1030 G HA3 -0.035 3.902 3.960 -0.039 0.000 0.275 1030 G C -2.079 172.653 174.900 -0.281 0.000 1.323 1030 G CA -0.797 44.136 45.100 -0.278 0.000 0.927 1030 G HN 0.201 nan 8.290 nan 0.000 0.486 1031 D N 0.412 120.671 120.400 -0.236 0.000 2.295 1031 D HA 0.434 5.051 4.640 -0.039 0.000 0.248 1031 D C 1.031 177.165 176.300 -0.276 0.000 1.154 1031 D CA -0.197 53.657 54.000 -0.244 0.000 0.857 1031 D CB 1.458 42.151 40.800 -0.178 0.000 1.117 1031 D HN 0.258 nan 8.370 nan 0.000 0.468 1032 L N 3.426 124.456 121.223 -0.322 0.000 2.640 1032 L HA 0.170 4.487 4.340 -0.039 0.000 0.230 1032 L C 1.095 177.919 176.870 -0.075 0.000 1.123 1032 L CA -0.115 54.502 54.840 -0.371 0.000 0.900 1032 L CB 0.217 41.891 42.059 -0.642 0.000 1.146 1032 L HN 0.097 nan 8.230 nan 0.000 0.484 1033 R N 1.190 121.635 120.500 -0.092 0.000 2.442 1033 R HA 0.006 4.323 4.340 -0.039 0.000 0.291 1033 R C -0.217 176.078 176.300 -0.009 0.000 1.069 1033 R CA -0.086 55.990 56.100 -0.040 0.000 1.022 1033 R CB 0.189 30.420 30.300 -0.114 0.000 0.976 1033 R HN 0.152 nan 8.270 nan 0.000 0.443 1034 D N 1.552 121.962 120.400 0.017 0.000 2.737 1034 D HA -0.202 4.415 4.640 -0.039 0.000 0.233 1034 D C 0.038 176.356 176.300 0.029 0.000 1.155 1034 D CA 0.984 54.986 54.000 0.004 0.000 0.667 1034 D CB -0.645 40.135 40.800 -0.034 0.000 1.060 1034 D HN 0.475 nan 8.370 nan 0.000 0.427 1035 I N 0.989 121.618 120.570 0.099 0.000 2.587 1035 I HA -0.024 4.123 4.170 -0.039 0.000 0.284 1035 I C 1.160 177.319 176.117 0.069 0.000 1.134 1035 I CA 0.211 61.573 61.300 0.104 0.000 1.410 1035 I CB 0.061 38.180 38.000 0.199 0.000 1.392 1035 I HN -0.117 nan 8.210 nan 0.000 0.545 1036 N N 4.248 122.967 118.700 0.032 0.000 2.530 1036 N HA 0.469 5.186 4.740 -0.039 0.000 0.273 1036 N C 0.188 175.705 175.510 0.012 0.000 1.173 1036 N CA 0.204 53.260 53.050 0.010 0.000 0.967 1036 N CB 1.005 39.493 38.487 0.002 0.000 1.109 1036 N HN 0.896 nan 8.380 nan 0.000 0.453 1037 G N -0.174 108.618 108.800 -0.012 0.000 3.338 1037 G HA2 -0.177 3.760 3.960 -0.039 0.000 0.686 1037 G HA3 -0.177 3.760 3.960 -0.039 0.000 0.686 1037 G C 0.231 175.097 174.900 -0.057 0.000 1.053 1037 G CA -0.697 44.380 45.100 -0.038 0.000 0.852 1037 G HN 0.411 nan 8.290 nan 0.000 0.545 1038 E N 0.007 120.145 120.200 -0.103 0.000 2.216 1038 E HA 0.399 4.726 4.350 -0.039 0.000 0.192 1038 E C 1.897 178.416 176.600 -0.135 0.000 0.988 1038 E CA 1.517 57.857 56.400 -0.099 0.000 0.834 1038 E CB 0.348 29.998 29.700 -0.083 0.000 0.772 1038 E HN 1.705 nan 8.360 nan 0.000 0.479 1039 A N -0.022 122.611 122.820 -0.313 0.000 2.252 1039 A HA 0.785 5.082 4.320 -0.039 0.000 0.305 1039 A C 0.615 178.022 177.584 -0.295 0.000 1.097 1039 A CA 0.129 51.878 52.037 -0.480 0.000 0.849 1039 A CB 1.271 19.584 19.000 -1.145 0.000 1.142 1039 A HN 0.410 nan 8.150 nan 0.000 0.499 1040 G N -1.638 107.156 108.800 -0.010 0.000 2.691 1040 G HA2 0.705 4.641 3.960 -0.039 0.000 0.298 1040 G HA3 0.705 4.641 3.960 -0.039 0.000 0.298 1040 G C -0.986 174.247 174.900 0.555 0.000 1.471 1040 G CA 0.324 45.647 45.100 0.372 0.000 0.912 1040 G HN 1.662 nan 8.290 nan 0.000 0.553 1041 A N 1.885 125.084 122.820 0.633 0.000 2.454 1041 A HA 1.018 5.315 4.320 -0.039 0.000 0.302 1041 A C -0.878 177.006 177.584 0.500 0.000 1.079 1041 A CA -0.755 51.558 52.037 0.460 0.000 0.731 1041 A CB 1.657 20.867 19.000 0.350 0.000 1.299 1041 A HN 1.784 nan 8.150 nan 0.000 0.413 1042 W N -1.233 120.194 121.300 0.211 0.000 3.005 1042 W HA 0.776 5.417 4.660 -0.031 0.000 0.343 1042 W C -1.080 175.536 176.519 0.160 0.000 1.243 1042 W CA -0.605 56.848 57.345 0.180 0.000 1.186 1042 W CB 1.197 30.730 29.460 0.122 0.000 1.453 1042 W HN 1.565 nan 8.180 nan 0.000 0.575 1043 A N 2.029 125.153 122.820 0.507 0.000 2.540 1043 A HA 0.714 5.011 4.320 -0.039 0.000 0.297 1043 A C -1.629 176.234 177.584 0.466 0.000 1.056 1043 A CA -0.923 51.311 52.037 0.329 0.000 0.700 1043 A CB 2.133 21.263 19.000 0.217 0.000 1.280 1043 A HN 0.729 nan 8.150 nan 0.000 0.398 1044 R N 2.201 122.927 120.500 0.376 0.000 2.670 1044 R HA 0.816 5.133 4.340 -0.039 0.000 0.289 1044 R C -1.687 174.750 176.300 0.227 0.000 0.965 1044 R CA -0.601 55.682 56.100 0.304 0.000 0.899 1044 R CB 1.444 31.947 30.300 0.337 0.000 1.173 1044 R HN 0.781 nan 8.270 nan 0.000 0.456 1045 I N 5.047 125.743 120.570 0.210 0.000 2.465 1045 I HA 0.376 4.523 4.170 -0.039 0.000 0.291 1045 I C -1.420 174.810 176.117 0.188 0.000 1.014 1045 I CA -1.075 60.336 61.300 0.185 0.000 1.093 1045 I CB 1.849 39.957 38.000 0.180 0.000 1.267 1045 I HN 0.795 nan 8.210 nan 0.000 0.431 1046 M N 7.398 127.142 119.600 0.241 0.000 2.142 1046 M HA 0.356 4.812 4.480 -0.039 0.000 0.299 1046 M C -1.367 175.032 176.300 0.165 0.000 0.960 1046 M CA -0.155 55.281 55.300 0.227 0.000 0.920 1046 M CB 1.615 34.406 32.600 0.319 0.000 1.541 1046 M HN 0.576 nan 8.290 nan 0.000 0.429 1047 S N 3.168 118.872 115.700 0.007 0.000 2.549 1047 S HA 1.010 5.456 4.470 -0.039 0.000 0.297 1047 S C -0.456 173.907 174.600 -0.394 0.000 1.115 1047 S CA -0.150 57.936 58.200 -0.190 0.000 1.059 1047 S CB 1.592 64.740 63.200 -0.086 0.000 1.046 1047 S HN 0.987 nan 8.310 nan 0.000 0.506 1048 G N 1.349 109.634 108.800 -0.859 0.000 2.559 1048 G HA2 0.618 4.555 3.960 -0.039 0.000 0.291 1048 G HA3 0.618 4.555 3.960 -0.039 0.000 0.291 1048 G C -1.621 172.956 174.900 -0.539 0.000 1.424 1048 G CA -0.551 44.132 45.100 -0.694 0.000 0.786 1048 G HN 0.770 nan 8.290 nan 0.000 0.485 1049 T N -0.817 113.637 114.554 -0.166 0.000 3.041 1049 T HA 0.746 5.072 4.350 -0.039 0.000 0.321 1049 T C -0.013 174.689 174.700 0.003 0.000 1.184 1049 T CA 0.085 62.162 62.100 -0.038 0.000 1.050 1049 T CB 1.785 70.609 68.868 -0.072 0.000 1.159 1049 T HN 1.379 nan 8.240 nan 0.000 0.469 1050 G N 0.926 109.750 108.800 0.041 0.000 2.766 1050 G HA2 0.815 4.752 3.960 -0.039 0.000 0.288 1050 G HA3 0.815 4.752 3.960 -0.039 0.000 0.288 1050 G C -1.309 173.483 174.900 -0.180 0.000 1.408 1050 G CA -0.888 44.108 45.100 -0.173 0.000 0.852 1050 G HN 1.072 nan 8.290 nan 0.000 0.487 1051 S N -1.540 113.948 115.700 -0.353 0.000 2.562 1051 S HA 0.818 5.265 4.470 -0.039 0.000 0.274 1051 S C -0.278 174.371 174.600 0.081 0.000 1.160 1051 S CA 0.012 58.152 58.200 -0.100 0.000 0.933 1051 S CB 1.324 64.461 63.200 -0.104 0.000 1.100 1051 S HN 1.861 nan 8.310 nan 0.000 0.468 1052 A N 2.364 125.456 122.820 0.454 0.000 2.858 1052 A HA 0.977 5.273 4.320 -0.039 0.000 0.232 1052 A C 0.492 178.271 177.584 0.324 0.000 1.258 1052 A CA -0.297 52.018 52.037 0.464 0.000 0.909 1052 A CB 0.279 19.680 19.000 0.670 0.000 1.491 1052 A HN 1.703 nan 8.150 nan 0.000 0.472 1053 S N -1.720 114.130 115.700 0.250 0.000 2.641 1053 S HA 0.473 4.920 4.470 -0.039 0.000 0.261 1053 S C 1.079 175.787 174.600 0.179 0.000 1.257 1053 S CA 0.450 58.751 58.200 0.168 0.000 0.983 1053 S CB 0.268 63.539 63.200 0.119 0.000 0.990 1053 S HN 2.618 nan 8.310 nan 0.000 0.572 1054 G N -0.467 108.407 108.800 0.124 0.000 2.258 1054 G HA2 0.130 4.067 3.960 -0.039 0.000 0.274 1054 G HA3 0.130 4.067 3.960 -0.039 0.000 0.274 1054 G C 1.196 176.169 174.900 0.121 0.000 1.021 1054 G CA 0.702 45.870 45.100 0.113 0.000 0.798 1054 G HN 2.387 nan 8.290 nan 0.000 0.507 1055 G N -1.816 107.052 108.800 0.113 0.000 2.159 1055 G HA2 -0.111 3.826 3.960 -0.039 0.000 0.256 1055 G HA3 -0.111 3.826 3.960 -0.039 0.000 0.256 1055 G C 0.425 175.387 174.900 0.104 0.000 0.977 1055 G CA 0.458 45.603 45.100 0.076 0.000 0.652 1055 G HN 1.865 nan 8.290 nan 0.000 0.531 1056 F N 2.863 122.832 119.950 0.032 0.000 2.538 1056 F HA 0.521 5.024 4.527 -0.040 0.000 0.371 1056 F C 0.631 176.475 175.800 0.074 0.000 1.087 1056 F CA -0.153 57.881 58.000 0.056 0.000 1.250 1056 F CB 0.964 40.053 39.000 0.148 0.000 1.110 1056 F HN 0.679 nan 8.300 nan 0.000 0.570 1057 S N 4.566 119.875 115.700 -0.651 0.000 2.550 1057 S HA 0.683 5.130 4.470 -0.039 0.000 0.270 1057 S C -1.700 172.490 174.600 -0.683 0.000 1.145 1057 S CA -0.829 56.995 58.200 -0.627 0.000 0.852 1057 S CB 2.238 65.281 63.200 -0.261 0.000 1.119 1057 S HN 0.744 nan 8.310 nan 0.000 0.465 1058 D N -0.168 119.985 120.400 -0.413 0.000 2.523 1058 D HA 0.700 5.317 4.640 -0.039 0.000 0.236 1058 D C -1.207 175.107 176.300 0.023 0.000 1.094 1058 D CA -0.572 53.341 54.000 -0.145 0.000 0.942 1058 D CB 0.897 41.684 40.800 -0.022 0.000 1.447 1058 D HN 0.757 nan 8.370 nan 0.000 0.479 1059 N N -1.495 117.262 118.700 0.096 0.000 2.396 1059 N HA 0.635 5.352 4.740 -0.039 0.000 0.275 1059 N C -1.558 174.070 175.510 0.197 0.000 1.218 1059 N CA -0.960 52.143 53.050 0.089 0.000 0.812 1059 N CB 1.714 40.193 38.487 -0.014 0.000 1.592 1059 N HN 0.618 nan 8.380 nan 0.000 0.480 1060 Y N -3.084 117.246 120.300 0.051 0.000 2.581 1060 Y HA 0.797 5.322 4.550 -0.043 0.000 0.337 1060 Y C -1.675 174.276 175.900 0.085 0.000 1.108 1060 Y CA -0.987 57.154 58.100 0.068 0.000 1.033 1060 Y CB 1.598 40.102 38.460 0.073 0.000 1.318 1060 Y HN 0.489 nan 8.280 nan 0.000 0.459 1061 T N 2.302 116.993 114.554 0.228 0.000 2.847 1061 T HA 0.277 4.603 4.350 -0.039 0.000 0.291 1061 T C -1.914 172.973 174.700 0.312 0.000 0.998 1061 T CA -0.483 61.731 62.100 0.189 0.000 0.967 1061 T CB 0.232 69.168 68.868 0.115 0.000 0.954 1061 T HN 0.819 nan 8.240 nan 0.000 0.441 1062 H N 2.613 121.831 119.070 0.246 0.000 2.587 1062 H HA 0.685 5.220 4.556 -0.035 0.000 0.325 1062 H C -1.113 174.328 175.328 0.188 0.000 1.012 1062 H CA -0.415 55.765 56.048 0.220 0.000 1.213 1062 H CB 0.589 30.503 29.762 0.253 0.000 1.431 1062 H HN 0.352 nan 8.280 nan 0.000 0.492 1063 V N 5.892 125.702 119.914 -0.174 0.000 2.513 1063 V HA 0.381 4.477 4.120 -0.039 0.000 0.299 1063 V C -0.273 175.676 176.094 -0.242 0.000 1.035 1063 V CA -0.554 61.677 62.300 -0.115 0.000 0.889 1063 V CB 1.581 33.414 31.823 0.016 0.000 0.988 1063 V HN 0.862 nan 8.190 nan 0.000 0.440 1064 Q N 2.687 122.418 119.800 -0.115 0.000 2.456 1064 Q HA 0.844 5.161 4.340 -0.039 0.000 0.284 1064 Q C -2.281 173.659 176.000 -0.101 0.000 1.061 1064 Q CA -0.414 55.340 55.803 -0.082 0.000 0.799 1064 Q CB 2.875 31.646 28.738 0.054 0.000 1.445 1064 Q HN 0.514 nan 8.270 nan 0.000 0.411 1065 V N 0.359 120.103 119.914 -0.282 0.000 3.178 1065 V HA 0.949 5.045 4.120 -0.039 0.000 0.302 1065 V C -0.669 174.902 176.094 -0.871 0.000 1.262 1065 V CA 0.160 62.151 62.300 -0.515 0.000 1.030 1065 V CB 2.448 34.118 31.823 -0.256 0.000 1.074 1065 V HN 0.940 nan 8.190 nan 0.000 0.438 1066 G N 1.288 109.328 108.800 -1.268 0.000 2.576 1066 G HA2 0.654 4.590 3.960 -0.039 0.000 0.290 1066 G HA3 0.654 4.590 3.960 -0.039 0.000 0.290 1066 G C -2.300 172.269 174.900 -0.551 0.000 1.442 1066 G CA -0.374 44.162 45.100 -0.940 0.000 0.792 1066 G HN 0.767 nan 8.290 nan 0.000 0.491 1067 V N 0.790 120.744 119.914 0.068 0.000 2.888 1067 V HA 0.784 4.881 4.120 -0.039 0.000 0.309 1067 V C -1.021 175.252 176.094 0.299 0.000 1.114 1067 V CA -0.331 62.106 62.300 0.230 0.000 0.940 1067 V CB 2.271 34.206 31.823 0.187 0.000 1.021 1067 V HN 1.315 nan 8.190 nan 0.000 0.426 1068 D N 1.893 122.467 120.400 0.290 0.000 2.692 1068 D HA 0.773 5.390 4.640 -0.039 0.000 0.303 1068 D C -0.791 175.562 176.300 0.089 0.000 1.278 1068 D CA -0.349 53.734 54.000 0.137 0.000 0.852 1068 D CB 1.946 42.889 40.800 0.238 0.000 1.375 1068 D HN 0.746 nan 8.370 nan 0.000 0.453 1069 K N 0.357 120.752 120.400 -0.009 0.000 2.502 1069 K HA 0.532 4.829 4.320 -0.039 0.000 0.254 1069 K C -0.704 175.783 176.600 -0.188 0.000 0.947 1069 K CA -1.046 55.230 56.287 -0.018 0.000 0.834 1069 K CB 1.467 34.013 32.500 0.077 0.000 1.112 1069 K HN 0.615 nan 8.250 nan 0.000 0.427 1070 K N 2.752 123.064 120.400 -0.146 0.000 2.276 1070 K HA 0.292 4.589 4.320 -0.039 0.000 0.283 1070 K C -0.871 175.620 176.600 -0.182 0.000 1.044 1070 K CA -0.396 55.642 56.287 -0.415 0.000 0.944 1070 K CB 0.324 32.527 32.500 -0.495 0.000 1.012 1070 K HN 0.829 nan 8.250 nan 0.000 0.472 1071 H N 1.302 120.177 119.070 -0.324 0.000 2.616 1071 H HA 0.362 4.895 4.556 -0.039 0.000 0.353 1071 H C 0.281 175.456 175.328 -0.255 0.000 1.170 1071 H CA -0.539 55.369 56.048 -0.234 0.000 1.212 1071 H CB 1.365 31.018 29.762 -0.181 0.000 1.653 1071 H HN 0.792 nan 8.280 nan 0.000 0.537 1072 E N -0.187 119.981 120.200 -0.053 0.000 2.285 1072 E HA 0.953 5.279 4.350 -0.039 0.000 0.254 1072 E C -0.315 176.238 176.600 -0.080 0.000 1.011 1072 E CA -0.238 56.104 56.400 -0.098 0.000 0.873 1072 E CB 1.193 30.842 29.700 -0.084 0.000 1.229 1072 E HN 0.894 nan 8.360 nan 0.000 0.422 1077 D N 2.449 122.652 120.400 -0.329 0.000 2.446 1077 D HA 0.580 5.197 4.640 -0.039 0.000 0.251 1077 D C -0.562 175.448 176.300 -0.483 0.000 1.137 1077 D CA -0.215 53.546 54.000 -0.399 0.000 0.890 1077 D CB 2.487 43.088 40.800 -0.332 0.000 1.071 1077 D HN 0.479 nan 8.370 nan 0.000 0.528 1078 L N 4.419 125.359 121.223 -0.472 0.000 2.407 1078 L HA 0.378 4.695 4.340 -0.039 0.000 0.261 1078 L C -0.937 175.600 176.870 -0.555 0.000 1.108 1078 L CA -0.493 54.116 54.840 -0.384 0.000 0.995 1078 L CB -0.622 41.296 42.059 -0.235 0.000 1.349 1078 L HN 0.061 nan 8.230 nan 0.000 0.423 1079 F N 2.019 121.845 119.950 -0.207 0.000 2.607 1079 F HA 0.395 4.899 4.527 -0.038 0.000 0.374 1079 F C 1.153 176.839 175.800 -0.189 0.000 1.104 1079 F CA 0.299 58.205 58.000 -0.156 0.000 1.296 1079 F CB 0.435 39.447 39.000 0.020 0.000 1.085 1079 F HN 0.508 nan 8.300 nan 0.000 0.584 1080 T N 0.325 114.768 114.554 -0.184 0.000 3.483 1080 T HA 0.728 5.055 4.350 -0.039 0.000 0.329 1080 T C -0.512 173.773 174.700 -0.693 0.000 1.014 1080 T CA -0.589 61.241 62.100 -0.449 0.000 1.056 1080 T CB 0.997 69.643 68.868 -0.370 0.000 1.090 1080 T HN 0.997 nan 8.240 nan 0.000 0.460 1081 G N 1.592 109.577 108.800 -1.358 0.000 2.782 1081 G HA2 0.749 4.686 3.960 -0.039 0.000 0.304 1081 G HA3 0.749 4.686 3.960 -0.039 0.000 0.304 1081 G C -1.977 172.378 174.900 -0.908 0.000 1.315 1081 G CA -0.972 43.510 45.100 -1.031 0.000 0.791 1081 G HN 0.552 nan 8.290 nan 0.000 0.519 1082 F N -0.593 119.359 119.950 0.004 0.000 2.538 1082 F HA 0.818 5.322 4.527 -0.037 0.000 0.325 1082 F C 0.522 176.473 175.800 0.251 0.000 1.066 1082 F CA -0.823 57.255 58.000 0.130 0.000 0.946 1082 F CB 2.686 41.728 39.000 0.069 0.000 1.199 1082 F HN 0.488 nan 8.300 nan 0.000 0.473 1083 T N 1.223 116.043 114.554 0.443 0.000 2.923 1083 T HA 0.733 5.060 4.350 -0.039 0.000 0.311 1083 T C -1.889 172.912 174.700 0.168 0.000 1.183 1083 T CA -0.468 61.787 62.100 0.258 0.000 1.020 1083 T CB 1.268 70.380 68.868 0.407 0.000 1.165 1083 T HN 0.387 nan 8.240 nan 0.000 0.482 1084 V N 3.850 123.793 119.914 0.049 0.000 2.769 1084 V HA 0.844 4.940 4.120 -0.039 0.000 0.312 1084 V C 0.185 176.295 176.094 0.027 0.000 1.061 1084 V CA -0.682 61.646 62.300 0.046 0.000 0.931 1084 V CB 2.203 34.032 31.823 0.010 0.000 1.010 1084 V HN 1.148 nan 8.190 nan 0.000 0.433 1085 T N 0.219 114.808 114.554 0.058 0.000 2.906 1085 T HA 0.754 5.081 4.350 -0.039 0.000 0.295 1085 T C -1.134 173.609 174.700 0.071 0.000 1.061 1085 T CA -0.739 61.376 62.100 0.026 0.000 1.000 1085 T CB 1.932 70.876 68.868 0.127 0.000 1.103 1085 T HN 0.875 nan 8.240 nan 0.000 0.486 1086 H N -0.051 118.965 119.070 -0.091 0.000 2.877 1086 H HA 0.585 5.137 4.556 -0.007 0.000 0.347 1086 H C -1.385 173.957 175.328 0.024 0.000 1.042 1086 H CA -0.345 55.694 56.048 -0.017 0.000 1.276 1086 H CB 1.901 31.651 29.762 -0.020 0.000 1.681 1086 H HN 0.806 nan 8.280 nan 0.000 0.521 1087 T N 5.208 119.567 114.554 -0.326 0.000 2.892 1087 T HA 0.171 4.498 4.350 -0.039 0.000 0.311 1087 T C -0.843 173.771 174.700 -0.143 0.000 1.033 1087 T CA -0.871 61.203 62.100 -0.043 0.000 0.991 1087 T CB 0.653 69.615 68.868 0.156 0.000 0.981 1087 T HN 0.545 nan 8.240 nan 0.000 0.457 1088 D N 2.310 122.705 120.400 -0.008 0.000 2.264 1088 D HA 0.413 5.030 4.640 -0.039 0.000 0.250 1088 D C -0.359 176.017 176.300 0.127 0.000 1.113 1088 D CA 0.306 54.341 54.000 0.057 0.000 0.871 1088 D CB 1.585 42.458 40.800 0.122 0.000 1.167 1088 D HN 0.490 nan 8.370 nan 0.000 0.447 1089 S N 1.166 116.932 115.700 0.111 0.000 2.572 1089 S HA 0.512 4.959 4.470 -0.039 0.000 0.274 1089 S C -0.954 173.720 174.600 0.123 0.000 1.150 1089 S CA -0.655 57.634 58.200 0.149 0.000 0.944 1089 S CB 1.001 64.279 63.200 0.130 0.000 1.071 1089 S HN 0.399 nan 8.310 nan 0.000 0.479 1090 S N 2.915 118.692 115.700 0.130 0.000 2.634 1090 S HA 1.014 5.460 4.470 -0.039 0.000 0.296 1090 S C -0.469 174.206 174.600 0.125 0.000 1.104 1090 S CA -0.490 57.780 58.200 0.117 0.000 0.920 1090 S CB 1.604 64.850 63.200 0.077 0.000 1.111 1090 S HN 1.706 nan 8.310 nan 0.000 0.493 1091 A N 0.369 123.279 122.820 0.150 0.000 2.608 1091 A HA 0.878 5.175 4.320 -0.039 0.000 0.292 1091 A C -0.806 176.790 177.584 0.021 0.000 1.066 1091 A CA -0.640 51.478 52.037 0.134 0.000 0.676 1091 A CB 1.378 20.626 19.000 0.414 0.000 1.277 1091 A HN 1.280 nan 8.150 nan 0.000 0.413 1092 S N -0.888 114.679 115.700 -0.223 0.000 2.566 1092 S HA 0.763 5.209 4.470 -0.039 0.000 0.273 1092 S C -0.235 174.070 174.600 -0.492 0.000 1.157 1092 S CA 0.367 58.253 58.200 -0.524 0.000 0.938 1092 S CB 1.349 64.377 63.200 -0.286 0.000 1.087 1092 S HN 2.180 nan 8.310 nan 0.000 0.474 1093 A N 2.609 124.956 122.820 -0.790 0.000 3.184 1093 A HA 0.718 5.015 4.320 -0.039 0.000 0.206 1093 A C 0.001 177.480 177.584 -0.174 0.000 1.262 1093 A CA -0.282 51.604 52.037 -0.252 0.000 0.891 1093 A CB 0.124 19.121 19.000 -0.005 0.000 1.526 1093 A HN 0.674 nan 8.150 nan 0.000 0.508 1094 D N -0.525 119.860 120.400 -0.026 0.000 2.347 1094 D HA 0.026 4.643 4.640 -0.039 0.000 0.213 1094 D C 1.639 177.947 176.300 0.013 0.000 0.985 1094 D CA 1.573 55.567 54.000 -0.009 0.000 0.879 1094 D CB 0.242 41.059 40.800 0.027 0.000 0.919 1094 D HN 0.351 nan 8.370 nan 0.000 0.526 1095 V N -2.198 117.759 119.914 0.073 0.000 3.661 1095 V HA 0.349 4.446 4.120 -0.039 0.000 0.271 1095 V C 0.153 176.374 176.094 0.212 0.000 1.315 1095 V CA -0.185 62.214 62.300 0.164 0.000 1.072 1095 V CB -0.683 31.298 31.823 0.263 0.000 0.830 1095 V HN 0.012 nan 8.190 nan 0.000 0.443 1096 F N -0.643 119.281 119.950 -0.042 0.000 2.741 1096 F HA 0.848 5.351 4.527 -0.041 0.000 0.311 1096 F C -0.897 174.816 175.800 -0.146 0.000 1.149 1096 F CA -0.398 57.469 58.000 -0.222 0.000 0.930 1096 F CB 0.949 39.562 39.000 -0.644 0.000 1.312 1096 F HN 0.017 nan 8.300 nan 0.000 0.450 1097 S N 0.764 116.409 115.700 -0.091 0.000 2.566 1097 S HA 1.024 5.471 4.470 -0.039 0.000 0.298 1097 S C -0.674 174.072 174.600 0.243 0.000 1.083 1097 S CA -0.194 57.972 58.200 -0.058 0.000 0.978 1097 S CB 1.594 64.759 63.200 -0.059 0.000 1.073 1097 S HN 1.836 nan 8.310 nan 0.000 0.491 1098 G N 0.728 109.703 108.800 0.292 0.000 2.649 1098 G HA2 0.677 4.613 3.960 -0.039 0.000 0.290 1098 G HA3 0.677 4.613 3.960 -0.039 0.000 0.290 1098 G C -2.071 172.943 174.900 0.189 0.000 1.426 1098 G CA -1.009 44.251 45.100 0.267 0.000 0.794 1098 G HN 0.756 nan 8.290 nan 0.000 0.483 1099 K N -0.544 119.937 120.400 0.135 0.000 2.508 1099 K HA 0.772 5.069 4.320 -0.039 0.000 0.260 1099 K C -1.491 175.141 176.600 0.053 0.000 0.949 1099 K CA -0.785 55.558 56.287 0.094 0.000 0.834 1099 K CB 2.764 35.307 32.500 0.073 0.000 1.365 1099 K HN 0.457 nan 8.250 nan 0.000 0.437 1100 T N 0.804 115.386 114.554 0.045 0.000 3.143 1100 T HA 0.205 4.532 4.350 -0.039 0.000 0.312 1100 T C -1.267 173.445 174.700 0.020 0.000 0.986 1100 T CA -0.768 61.338 62.100 0.011 0.000 1.024 1100 T CB 1.295 70.163 68.868 0.000 0.000 1.030 1100 T HN 0.148 nan 8.240 nan 0.000 0.448 1101 K N 2.081 122.485 120.400 0.008 0.000 2.183 1101 K HA 0.831 5.128 4.320 -0.039 0.000 0.274 1101 K C -0.238 176.338 176.600 -0.041 0.000 1.009 1101 K CA -0.855 55.414 56.287 -0.031 0.000 0.888 1101 K CB 1.608 34.128 32.500 0.034 0.000 1.078 1101 K HN 0.774 nan 8.250 nan 0.000 0.459 1102 S N 0.358 115.968 115.700 -0.149 0.000 2.549 1102 S HA 0.650 5.097 4.470 -0.039 0.000 0.280 1102 S C -1.155 173.363 174.600 -0.136 0.000 1.109 1102 S CA -0.851 57.287 58.200 -0.105 0.000 0.905 1102 S CB 1.997 65.174 63.200 -0.039 0.000 1.081 1102 S HN 0.450 nan 8.310 nan 0.000 0.477 1103 V N 1.401 121.293 119.914 -0.037 0.000 2.709 1103 V HA 0.931 5.027 4.120 -0.039 0.000 0.308 1103 V C -0.134 175.973 176.094 0.020 0.000 1.062 1103 V CA 0.018 62.340 62.300 0.037 0.000 0.901 1103 V CB 1.777 33.658 31.823 0.098 0.000 1.003 1103 V HN 1.154 nan 8.190 nan 0.000 0.425 1104 G N 3.587 112.418 108.800 0.051 0.000 2.642 1104 G HA2 0.950 4.887 3.960 -0.039 0.000 0.293 1104 G HA3 0.950 4.887 3.960 -0.039 0.000 0.293 1104 G C -1.190 173.772 174.900 0.103 0.000 1.341 1104 G CA -0.187 44.954 45.100 0.067 0.000 0.916 1104 G HN 1.459 nan 8.290 nan 0.000 0.474 1105 A N -1.141 121.760 122.820 0.136 0.000 2.556 1105 A HA 1.039 5.336 4.320 -0.039 0.000 0.294 1105 A C -0.166 177.544 177.584 0.210 0.000 1.091 1105 A CA -0.124 52.001 52.037 0.147 0.000 0.704 1105 A CB 1.973 21.029 19.000 0.094 0.000 1.300 1105 A HN 2.289 nan 8.150 nan 0.000 0.406 1106 G N -0.600 108.359 108.800 0.265 0.000 2.579 1106 G HA2 0.611 4.548 3.960 -0.039 0.000 0.292 1106 G HA3 0.611 4.548 3.960 -0.039 0.000 0.292 1106 G C -2.041 173.103 174.900 0.408 0.000 1.484 1106 G CA -0.626 44.671 45.100 0.328 0.000 0.813 1106 G HN 0.803 nan 8.290 nan 0.000 0.515 1107 L N 0.456 121.903 121.223 0.373 0.000 2.331 1107 L HA 0.816 5.133 4.340 -0.039 0.000 0.275 1107 L C -0.323 176.715 176.870 0.280 0.000 1.022 1107 L CA -1.080 53.932 54.840 0.286 0.000 0.812 1107 L CB 1.552 43.750 42.059 0.231 0.000 1.257 1107 L HN 0.759 nan 8.230 nan 0.000 0.435 1108 Y N -0.073 120.291 120.300 0.107 0.000 2.562 1108 Y HA 0.938 5.464 4.550 -0.041 0.000 0.345 1108 Y C -1.032 174.895 175.900 0.046 0.000 1.045 1108 Y CA -1.522 56.637 58.100 0.099 0.000 1.028 1108 Y CB 1.852 40.390 38.460 0.130 0.000 1.297 1108 Y HN 0.684 nan 8.280 nan 0.000 0.463 1109 A N 2.084 125.045 122.820 0.234 0.000 2.353 1109 A HA 0.729 5.026 4.320 -0.039 0.000 0.299 1109 A C -1.322 176.401 177.584 0.232 0.000 1.089 1109 A CA -0.710 51.414 52.037 0.145 0.000 0.736 1109 A CB 1.075 20.113 19.000 0.064 0.000 1.195 1109 A HN 0.683 nan 8.150 nan 0.000 0.447 1110 S N 1.381 117.238 115.700 0.262 0.000 2.566 1110 S HA 0.623 5.070 4.470 -0.039 0.000 0.324 1110 S C -0.050 174.661 174.600 0.184 0.000 1.081 1110 S CA -0.247 58.093 58.200 0.234 0.000 1.105 1110 S CB 1.364 64.691 63.200 0.213 0.000 0.981 1110 S HN 1.284 nan 8.310 nan 0.000 0.464 1111 A N 4.988 127.886 122.820 0.128 0.000 2.260 1111 A HA 0.643 4.940 4.320 -0.039 0.000 0.312 1111 A C -0.117 177.482 177.584 0.025 0.000 1.321 1111 A CA -0.558 51.450 52.037 -0.048 0.000 0.928 1111 A CB 0.054 18.995 19.000 -0.099 0.000 1.158 1111 A HN 0.693 nan 8.150 nan 0.000 0.542 1112 M N 3.974 123.548 119.600 -0.043 0.000 2.055 1112 M HA 0.345 4.802 4.480 -0.039 0.000 0.346 1112 M C -1.198 175.050 176.300 -0.086 0.000 1.074 1112 M CA -0.168 55.166 55.300 0.057 0.000 1.009 1112 M CB -0.319 32.362 32.600 0.135 0.000 1.423 1112 M HN 0.536 nan 8.290 nan 0.000 0.410 1113 F N 2.620 122.597 119.950 0.046 0.000 2.410 1113 F HA 0.116 4.620 4.527 -0.039 0.000 0.334 1113 F C 1.822 177.609 175.800 -0.022 0.000 1.134 1113 F CA -0.080 57.926 58.000 0.011 0.000 1.227 1113 F CB 0.621 39.633 39.000 0.020 0.000 1.194 1113 F HN 0.581 nan 8.300 nan 0.000 0.571 1114 D N -0.806 119.679 120.400 0.141 0.000 2.347 1114 D HA -0.114 4.503 4.640 -0.039 0.000 0.213 1114 D C 1.701 178.027 176.300 0.043 0.000 0.985 1114 D CA 1.065 55.095 54.000 0.050 0.000 0.879 1114 D CB -0.486 40.324 40.800 0.018 0.000 0.919 1114 D HN 0.492 nan 8.370 nan 0.000 0.526 1115 S N -0.455 115.301 115.700 0.093 0.000 2.515 1115 S HA 0.220 4.667 4.470 -0.039 0.000 0.231 1115 S C 1.837 176.379 174.600 -0.098 0.000 0.987 1115 S CA 0.989 59.213 58.200 0.041 0.000 0.936 1115 S CB -0.198 63.052 63.200 0.083 0.000 0.766 1115 S HN 0.519 nan 8.310 nan 0.000 0.528 1116 G N 0.474 109.189 108.800 -0.142 0.000 2.278 1116 G HA2 -0.029 3.907 3.960 -0.039 0.000 0.210 1116 G HA3 -0.029 3.907 3.960 -0.039 0.000 0.210 1116 G C 0.293 174.947 174.900 -0.410 0.000 1.000 1116 G CA -0.120 44.764 45.100 -0.359 0.000 0.635 1116 G HN 1.241 nan 8.290 nan 0.000 0.495 1117 A N 0.102 122.748 122.820 -0.290 0.000 2.386 1117 A HA 0.729 5.026 4.320 -0.039 0.000 0.248 1117 A C -0.179 177.564 177.584 0.264 0.000 1.082 1117 A CA 0.767 52.777 52.037 -0.045 0.000 0.789 1117 A CB 0.105 19.056 19.000 -0.082 0.000 1.025 1117 A HN 1.879 nan 8.150 nan 0.000 0.490 1118 Y N -1.329 119.061 120.300 0.149 0.000 2.534 1118 Y HA 0.780 5.306 4.550 -0.039 0.000 0.345 1118 Y C -1.214 174.818 175.900 0.219 0.000 1.031 1118 Y CA -1.518 56.734 58.100 0.254 0.000 1.022 1118 Y CB 1.041 39.571 38.460 0.116 0.000 1.292 1118 Y HN 0.481 nan 8.280 nan 0.000 0.459 1119 I N 2.921 123.700 120.570 0.349 0.000 2.509 1119 I HA 0.373 4.520 4.170 -0.039 0.000 0.293 1119 I C -1.465 174.814 176.117 0.270 0.000 1.020 1119 I CA -0.598 60.826 61.300 0.206 0.000 1.088 1119 I CB 2.121 40.254 38.000 0.222 0.000 1.267 1119 I HN 0.732 nan 8.210 nan 0.000 0.430 1120 D N 6.875 127.411 120.400 0.227 0.000 2.620 1120 D HA 0.504 5.121 4.640 -0.039 0.000 0.252 1120 D C -1.384 175.016 176.300 0.166 0.000 1.207 1120 D CA -0.228 53.895 54.000 0.206 0.000 0.884 1120 D CB 1.254 42.177 40.800 0.206 0.000 1.262 1120 D HN 0.295 nan 8.370 nan 0.000 0.552 1121 L N 4.450 125.775 121.223 0.171 0.000 2.307 1121 L HA 0.626 4.943 4.340 -0.039 0.000 0.284 1121 L C -0.246 176.745 176.870 0.201 0.000 1.023 1121 L CA -0.976 53.963 54.840 0.166 0.000 0.810 1121 L CB 1.834 43.980 42.059 0.145 0.000 1.231 1121 L HN 0.409 nan 8.230 nan 0.000 0.423 1122 I N 1.313 122.003 120.570 0.201 0.000 2.619 1122 I HA 0.673 4.820 4.170 -0.039 0.000 0.292 1122 I C -0.629 175.633 176.117 0.241 0.000 1.100 1122 I CA -0.305 61.139 61.300 0.241 0.000 1.043 1122 I CB 2.378 40.510 38.000 0.219 0.000 1.239 1122 I HN 0.650 nan 8.210 nan 0.000 0.420 1123 G N 5.006 113.967 108.800 0.269 0.000 2.683 1123 G HA2 0.585 4.522 3.960 -0.039 0.000 0.299 1123 G HA3 0.585 4.522 3.960 -0.039 0.000 0.299 1123 G C -1.361 173.740 174.900 0.335 0.000 1.432 1123 G CA -0.396 44.882 45.100 0.297 0.000 0.978 1123 G HN 0.574 nan 8.290 nan 0.000 0.513 1124 K N 1.034 121.646 120.400 0.353 0.000 2.443 1124 K HA 0.787 5.084 4.320 -0.039 0.000 0.251 1124 K C -1.895 174.872 176.600 0.279 0.000 0.972 1124 K CA -1.281 55.194 56.287 0.313 0.000 0.833 1124 K CB 1.743 34.395 32.500 0.254 0.000 1.317 1124 K HN 0.899 nan 8.250 nan 0.000 0.441 1125 Y N 0.281 120.558 120.300 -0.038 0.000 2.393 1125 Y HA 0.664 5.188 4.550 -0.044 0.000 0.341 1125 Y C -1.286 174.461 175.900 -0.255 0.000 0.988 1125 Y CA -0.863 56.988 58.100 -0.415 0.000 1.078 1125 Y CB 2.079 40.042 38.460 -0.829 0.000 1.203 1125 Y HN 0.630 nan 8.280 nan 0.000 0.453 1126 V N 5.756 125.127 119.914 -0.904 0.000 2.588 1126 V HA 0.261 4.358 4.120 -0.039 0.000 0.304 1126 V C -1.335 174.217 176.094 -0.903 0.000 1.042 1126 V CA -0.803 61.108 62.300 -0.649 0.000 0.877 1126 V CB 1.581 33.151 31.823 -0.422 0.000 0.996 1126 V HN 0.841 nan 8.190 nan 0.000 0.425 1127 H N 3.912 122.611 119.070 -0.618 0.000 2.551 1127 H HA 0.531 5.064 4.556 -0.039 0.000 0.321 1127 H C -0.659 174.419 175.328 -0.417 0.000 1.028 1127 H CA -0.464 55.349 56.048 -0.391 0.000 1.215 1127 H CB 0.663 30.392 29.762 -0.056 0.000 1.414 1127 H HN 0.739 nan 8.280 nan 0.000 0.480 1128 H N 4.294 123.080 119.070 -0.473 0.000 2.467 1128 H HA 0.258 4.791 4.556 -0.038 0.000 0.326 1128 H C -0.720 174.341 175.328 -0.446 0.000 1.094 1128 H CA -0.785 55.064 56.048 -0.332 0.000 1.253 1128 H CB 1.394 31.000 29.762 -0.261 0.000 1.439 1128 H HN 0.759 nan 8.280 nan 0.000 0.479 1129 D N 1.886 122.221 120.400 -0.107 0.000 2.819 1129 D HA 0.372 4.988 4.640 -0.039 0.000 0.232 1129 D C -0.799 175.432 176.300 -0.115 0.000 1.160 1129 D CA -0.883 53.043 54.000 -0.123 0.000 0.858 1129 D CB 1.426 42.244 40.800 0.031 0.000 1.610 1129 D HN 0.510 nan 8.370 nan 0.000 0.481 1130 N N 0.154 118.719 118.700 -0.225 0.000 2.777 1130 N HA 0.237 4.954 4.740 -0.039 0.000 0.260 1130 N C -2.057 173.202 175.510 -0.419 0.000 1.113 1130 N CA -0.450 52.314 53.050 -0.477 0.000 0.996 1130 N CB 2.095 39.995 38.487 -0.978 0.000 1.584 1130 N HN 0.531 nan 8.380 nan 0.000 0.573 1131 E N 2.950 123.051 120.200 -0.164 0.000 2.275 1131 E HA 0.334 4.660 4.350 -0.039 0.000 0.270 1131 E C -1.983 174.748 176.600 0.217 0.000 0.882 1131 E CA -0.573 55.858 56.400 0.052 0.000 0.758 1131 E CB 1.884 31.620 29.700 0.061 0.000 1.195 1131 E HN 0.511 nan 8.360 nan 0.000 0.419 1132 Y N 2.572 122.985 120.300 0.188 0.000 2.433 1132 Y HA 0.467 4.992 4.550 -0.041 0.000 0.337 1132 Y C -1.393 174.630 175.900 0.204 0.000 1.026 1132 Y CA -0.287 57.938 58.100 0.208 0.000 1.037 1132 Y CB 2.300 40.895 38.460 0.226 0.000 1.245 1132 Y HN 0.464 nan 8.280 nan 0.000 0.443 1133 T N 4.325 118.794 114.554 -0.142 0.000 3.767 1133 T HA 0.811 5.138 4.350 -0.039 0.000 0.360 1133 T C -1.834 172.831 174.700 -0.057 0.000 1.181 1133 T CA 0.303 62.402 62.100 -0.002 0.000 1.110 1133 T CB 0.191 69.099 68.868 0.066 0.000 1.201 1133 T HN 1.353 nan 8.240 nan 0.000 0.474 1139 L N -2.530 118.718 121.223 0.041 0.000 2.999 1139 L HA 1.064 5.381 4.340 -0.039 0.000 0.274 1139 L C 0.819 177.737 176.870 0.080 0.000 1.044 1139 L CA 0.340 55.212 54.840 0.053 0.000 0.943 1139 L CB 0.860 42.942 42.059 0.039 0.000 1.522 1139 L HN 2.949 nan 8.230 nan 0.000 0.400 1140 G N -0.334 108.513 108.800 0.077 0.000 2.879 1140 G HA2 0.387 4.323 3.960 -0.039 0.000 0.686 1140 G HA3 0.387 4.323 3.960 -0.039 0.000 0.686 1140 G C -0.119 174.854 174.900 0.121 0.000 1.115 1140 G CA 0.639 45.793 45.100 0.090 0.000 0.770 1140 G HN 2.615 nan 8.290 nan 0.000 0.601 1141 T N 1.800 116.421 114.554 0.112 0.000 2.869 1141 T HA 0.605 4.932 4.350 -0.039 0.000 0.295 1141 T C 0.633 175.430 174.700 0.162 0.000 0.987 1141 T CA -0.124 62.059 62.100 0.139 0.000 1.109 1141 T CB 0.175 69.107 68.868 0.107 0.000 0.932 1141 T HN 0.607 nan 8.240 nan 0.000 0.518 1142 R N 4.215 124.854 120.500 0.232 0.000 2.388 1142 R HA 0.268 4.585 4.340 -0.039 0.000 0.314 1142 R C -1.057 175.448 176.300 0.342 0.000 0.959 1142 R CA -0.843 55.404 56.100 0.246 0.000 0.851 1142 R CB 1.227 31.649 30.300 0.204 0.000 1.168 1142 R HN 0.640 nan 8.270 nan 0.000 0.472 1143 D N 3.424 123.973 120.400 0.247 0.000 2.277 1143 D HA 0.223 4.840 4.640 -0.039 0.000 0.249 1143 D C -0.727 175.743 176.300 0.283 0.000 1.134 1143 D CA 0.286 54.404 54.000 0.197 0.000 0.863 1143 D CB 0.728 41.597 40.800 0.116 0.000 1.143 1143 D HN 0.385 nan 8.370 nan 0.000 0.458 1144 Y N -0.341 119.973 120.300 0.023 0.000 2.853 1144 Y HA 0.560 5.091 4.550 -0.033 0.000 0.326 1144 Y C -1.272 174.623 175.900 -0.008 0.000 1.384 1144 Y CA -1.271 56.828 58.100 -0.002 0.000 1.077 1144 Y CB 0.904 39.338 38.460 -0.043 0.000 1.395 1144 Y HN 0.134 nan 8.280 nan 0.000 0.451 1145 S N 0.327 116.065 115.700 0.063 0.000 2.536 1145 S HA 0.840 5.287 4.470 -0.039 0.000 0.271 1145 S C -1.194 173.378 174.600 -0.048 0.000 1.134 1145 S CA 0.241 58.393 58.200 -0.080 0.000 0.897 1145 S CB 1.385 64.594 63.200 0.016 0.000 1.094 1145 S HN 1.472 nan 8.310 nan 0.000 0.473 1146 T N 0.747 115.201 114.554 -0.166 0.000 2.838 1146 T HA 0.873 5.200 4.350 -0.039 0.000 0.292 1146 T C -0.879 173.728 174.700 -0.156 0.000 1.113 1146 T CA -0.715 61.304 62.100 -0.135 0.000 1.008 1146 T CB 1.370 70.190 68.868 -0.080 0.000 1.259 1146 T HN 1.176 nan 8.240 nan 0.000 0.520 1147 H N -1.561 117.435 119.070 -0.124 0.000 2.960 1147 H HA 0.853 5.385 4.556 -0.040 0.000 0.323 1147 H C -1.133 174.007 175.328 -0.314 0.000 1.326 1147 H CA -0.593 55.278 56.048 -0.295 0.000 1.124 1147 H CB 1.280 30.838 29.762 -0.340 0.000 1.853 1147 H HN 1.005 nan 8.280 nan 0.000 0.536 1148 S N -0.776 114.731 115.700 -0.322 0.000 2.550 1148 S HA 0.528 4.974 4.470 -0.039 0.000 0.270 1148 S C -1.957 172.314 174.600 -0.548 0.000 1.145 1148 S CA -1.086 56.907 58.200 -0.345 0.000 0.852 1148 S CB 1.059 64.068 63.200 -0.319 0.000 1.119 1148 S HN 0.658 nan 8.310 nan 0.000 0.465 1149 W N 0.691 121.819 121.300 -0.286 0.000 2.529 1149 W HA 0.709 5.350 4.660 -0.032 0.000 0.321 1149 W C -1.302 175.014 176.519 -0.339 0.000 1.047 1149 W CA -0.414 56.841 57.345 -0.150 0.000 1.216 1149 W CB 1.276 30.717 29.460 -0.032 0.000 1.357 1149 W HN 0.657 nan 8.180 nan 0.000 0.489 1150 Y N 1.723 122.167 120.300 0.240 0.000 2.442 1150 Y HA 0.687 5.212 4.550 -0.041 0.000 0.344 1150 Y C 0.045 176.064 175.900 0.197 0.000 0.976 1150 Y CA -1.439 56.749 58.100 0.146 0.000 1.040 1150 Y CB 2.082 40.588 38.460 0.078 0.000 1.228 1150 Y HN 0.448 nan 8.280 nan 0.000 0.451 1151 A N 1.891 124.928 122.820 0.363 0.000 2.343 1151 A HA 0.863 5.160 4.320 -0.039 0.000 0.316 1151 A C -0.378 177.368 177.584 0.268 0.000 1.104 1151 A CA -0.327 51.884 52.037 0.290 0.000 0.768 1151 A CB 0.857 20.009 19.000 0.254 0.000 1.213 1151 A HN 0.881 nan 8.150 nan 0.000 0.456 1152 G N 0.156 109.086 108.800 0.216 0.000 2.524 1152 G HA2 0.781 4.717 3.960 -0.039 0.000 0.310 1152 G HA3 0.781 4.717 3.960 -0.039 0.000 0.310 1152 G C -0.684 174.307 174.900 0.152 0.000 1.279 1152 G CA 0.039 45.243 45.100 0.174 0.000 0.974 1152 G HN 1.606 nan 8.290 nan 0.000 0.484 1153 A N 1.222 124.121 122.820 0.132 0.000 2.393 1153 A HA 0.855 5.152 4.320 -0.039 0.000 0.306 1153 A C -0.749 176.895 177.584 0.100 0.000 1.050 1153 A CA -0.649 51.456 52.037 0.113 0.000 0.724 1153 A CB 2.008 21.067 19.000 0.097 0.000 1.248 1153 A HN 0.675 nan 8.150 nan 0.000 0.424 1154 E N 1.074 121.333 120.200 0.098 0.000 2.292 1154 E HA 0.682 5.008 4.350 -0.039 0.000 0.272 1154 E C -1.028 175.569 176.600 -0.006 0.000 0.881 1154 E CA -0.672 55.777 56.400 0.082 0.000 0.754 1154 E CB 2.004 31.800 29.700 0.159 0.000 1.201 1154 E HN 1.034 nan 8.360 nan 0.000 0.425 1155 A N 2.605 125.357 122.820 -0.113 0.000 2.414 1155 A HA 0.901 5.198 4.320 -0.039 0.000 0.306 1155 A C -0.498 176.805 177.584 -0.467 0.000 1.054 1155 A CA -0.024 51.834 52.037 -0.299 0.000 0.724 1155 A CB 1.893 20.808 19.000 -0.141 0.000 1.267 1155 A HN 0.648 nan 8.150 nan 0.000 0.418 1156 G N -0.812 107.444 108.800 -0.906 0.000 2.687 1156 G HA2 0.588 4.525 3.960 -0.039 0.000 0.291 1156 G HA3 0.588 4.525 3.960 -0.039 0.000 0.291 1156 G C -2.093 172.707 174.900 -0.167 0.000 1.420 1156 G CA -0.434 44.355 45.100 -0.519 0.000 0.796 1156 G HN 1.299 nan 8.290 nan 0.000 0.485 1157 Y N 0.198 120.516 120.300 0.029 0.000 2.287 1157 Y HA 0.569 5.096 4.550 -0.039 0.000 0.321 1157 Y C -0.271 175.737 175.900 0.180 0.000 1.173 1157 Y CA -0.854 57.306 58.100 0.101 0.000 1.124 1157 Y CB 1.554 40.036 38.460 0.036 0.000 1.201 1157 Y HN 0.603 nan 8.280 nan 0.000 0.421 1158 R N 5.523 126.005 120.500 -0.030 0.000 2.196 1158 R HA 0.256 4.573 4.340 -0.039 0.000 0.340 1158 R C -1.888 174.473 176.300 0.102 0.000 1.043 1158 R CA -0.408 55.712 56.100 0.033 0.000 0.883 1158 R CB 0.453 30.623 30.300 -0.217 0.000 1.078 1158 R HN 0.685 nan 8.270 nan 0.000 0.462 1159 Y N 3.643 124.084 120.300 0.236 0.000 2.331 1159 Y HA 0.244 4.771 4.550 -0.039 0.000 0.338 1159 Y C -0.946 175.084 175.900 0.216 0.000 0.976 1159 Y CA -0.756 57.519 58.100 0.292 0.000 1.137 1159 Y CB 0.793 39.462 38.460 0.348 0.000 1.172 1159 Y HN 0.623 nan 8.280 nan 0.000 0.478 1160 H N 4.656 123.522 119.070 -0.340 0.000 2.723 1160 H HA 0.242 4.775 4.556 -0.039 0.000 0.294 1160 H C 0.863 175.968 175.328 -0.373 0.000 1.079 1160 H CA 0.005 55.938 56.048 -0.192 0.000 1.411 1160 H CB 1.285 30.966 29.762 -0.135 0.000 1.439 1160 H HN 0.671 nan 8.280 nan 0.000 0.474 1161 V N 2.525 122.405 119.914 -0.058 0.000 2.255 1161 V HA -0.116 3.981 4.120 -0.039 0.000 0.243 1161 V C 1.310 177.406 176.094 0.004 0.000 1.038 1161 V CA 1.988 64.290 62.300 0.003 0.000 1.008 1161 V CB -0.242 31.614 31.823 0.056 0.000 0.645 1161 V HN 0.888 nan 8.190 nan 0.000 0.449 1162 T N -3.616 110.954 114.554 0.028 0.000 2.905 1162 T HA 0.267 4.593 4.350 -0.039 0.000 0.283 1162 T C 0.749 175.508 174.700 0.098 0.000 1.031 1162 T CA 0.300 62.419 62.100 0.031 0.000 1.002 1162 T CB 1.926 70.797 68.868 0.006 0.000 1.200 1162 T HN 0.011 nan 8.240 nan 0.000 0.560 1163 E N -0.174 120.055 120.200 0.048 0.000 2.150 1163 E HA -0.130 4.197 4.350 -0.039 0.000 0.193 1163 E C 1.350 178.022 176.600 0.120 0.000 0.985 1163 E CA 1.692 58.120 56.400 0.047 0.000 0.814 1163 E CB -0.886 28.791 29.700 -0.037 0.000 0.752 1163 E HN 0.761 nan 8.360 nan 0.000 0.466 1164 D N -0.463 119.963 120.400 0.043 0.000 2.234 1164 D HA 0.191 4.808 4.640 -0.039 0.000 0.205 1164 D C 0.299 176.593 176.300 -0.010 0.000 0.962 1164 D CA 1.207 55.191 54.000 -0.027 0.000 0.855 1164 D CB 0.313 41.032 40.800 -0.136 0.000 0.951 1164 D HN 0.407 nan 8.370 nan 0.000 0.500 1165 A N 0.117 122.944 122.820 0.011 0.000 2.393 1165 A HA 0.634 4.931 4.320 -0.039 0.000 0.306 1165 A C -1.358 176.130 177.584 -0.159 0.000 1.050 1165 A CA -0.917 51.017 52.037 -0.172 0.000 0.724 1165 A CB 1.183 20.079 19.000 -0.173 0.000 1.248 1165 A HN 0.216 nan 8.150 nan 0.000 0.424 1166 W N 1.196 122.315 121.300 -0.302 0.000 3.083 1166 W HA 0.767 5.403 4.660 -0.039 0.000 0.333 1166 W C -1.951 174.477 176.519 -0.150 0.000 1.217 1166 W CA -1.075 56.035 57.345 -0.392 0.000 1.170 1166 W CB 1.196 30.131 29.460 -0.875 0.000 1.437 1166 W HN 0.708 nan 8.180 nan 0.000 0.557 1167 I N 1.410 122.157 120.570 0.296 0.000 2.545 1167 I HA 0.346 4.493 4.170 -0.039 0.000 0.292 1167 I C -1.001 175.362 176.117 0.411 0.000 1.040 1167 I CA -0.471 60.988 61.300 0.265 0.000 1.068 1167 I CB 2.255 40.363 38.000 0.181 0.000 1.251 1167 I HN 0.650 nan 8.210 nan 0.000 0.424 1168 E N 9.139 129.573 120.200 0.391 0.000 2.731 1168 E HA 0.416 4.743 4.350 -0.039 0.000 0.248 1168 E C -2.636 174.128 176.600 0.274 0.000 1.084 1168 E CA -2.121 54.504 56.400 0.375 0.000 0.776 1168 E CB 1.222 31.184 29.700 0.437 0.000 1.404 1168 E HN 0.262 nan 8.360 nan 0.000 0.395 1169 P HA -0.002 nan 4.420 nan 0.000 0.268 1169 P C -0.928 176.463 177.300 0.153 0.000 1.205 1169 P CA 0.144 63.337 63.100 0.155 0.000 0.771 1169 P CB 0.904 32.668 31.700 0.107 0.000 0.858 1170 Q N 0.672 120.548 119.800 0.128 0.000 2.389 1170 Q HA 0.774 5.090 4.340 -0.039 0.000 0.277 1170 Q C -1.206 174.845 176.000 0.086 0.000 1.082 1170 Q CA -0.988 54.885 55.803 0.116 0.000 0.810 1170 Q CB 2.824 31.669 28.738 0.178 0.000 1.374 1170 Q HN 0.520 nan 8.270 nan 0.000 0.422 1171 A N 1.792 124.646 122.820 0.056 0.000 2.455 1171 A HA 0.649 4.946 4.320 -0.039 0.000 0.300 1171 A C -1.464 176.161 177.584 0.068 0.000 1.040 1171 A CA -0.566 51.513 52.037 0.069 0.000 0.697 1171 A CB 1.617 20.646 19.000 0.048 0.000 1.265 1171 A HN 0.759 nan 8.150 nan 0.000 0.407 1172 E N 1.760 122.017 120.200 0.095 0.000 2.331 1172 E HA 0.669 4.996 4.350 -0.039 0.000 0.275 1172 E C -2.283 174.384 176.600 0.111 0.000 0.895 1172 E CA -0.731 55.727 56.400 0.096 0.000 0.753 1172 E CB 1.866 31.626 29.700 0.100 0.000 1.216 1172 E HN 0.524 nan 8.360 nan 0.000 0.434 1173 L N 3.376 124.665 121.223 0.110 0.000 2.381 1173 L HA 0.494 4.811 4.340 -0.039 0.000 0.274 1173 L C -1.652 175.308 176.870 0.149 0.000 0.988 1173 L CA -0.691 54.224 54.840 0.126 0.000 0.824 1173 L CB 1.966 44.087 42.059 0.104 0.000 1.263 1173 L HN 0.558 nan 8.230 nan 0.000 0.410 1174 V N 4.900 124.919 119.914 0.174 0.000 2.495 1174 V HA 0.442 4.538 4.120 -0.039 0.000 0.298 1174 V C -1.263 175.024 176.094 0.322 0.000 1.031 1174 V CA -0.708 61.719 62.300 0.211 0.000 0.871 1174 V CB 1.554 33.451 31.823 0.123 0.000 0.988 1174 V HN 0.622 nan 8.190 nan 0.000 0.432 1175 Y N 2.937 123.362 120.300 0.208 0.000 2.409 1175 Y HA 0.832 5.359 4.550 -0.037 0.000 0.343 1175 Y C 0.202 176.231 175.900 0.214 0.000 0.973 1175 Y CA -0.613 57.598 58.100 0.184 0.000 1.064 1175 Y CB 2.140 40.667 38.460 0.113 0.000 1.207 1175 Y HN 0.742 nan 8.280 nan 0.000 0.452 1176 G N 1.380 109.861 108.800 -0.533 0.000 2.642 1176 G HA2 0.456 4.393 3.960 -0.039 0.000 0.293 1176 G HA3 0.456 4.393 3.960 -0.039 0.000 0.293 1176 G C -1.577 172.841 174.900 -0.803 0.000 1.341 1176 G CA -0.960 43.721 45.100 -0.697 0.000 0.916 1176 G HN 0.638 nan 8.290 nan 0.000 0.474 1177 S N 0.586 115.919 115.700 -0.611 0.000 2.158 1177 S HA 0.425 4.872 4.470 -0.039 0.000 0.160 1177 S C -0.374 174.009 174.600 -0.362 0.000 1.693 1177 S CA -0.483 57.488 58.200 -0.381 0.000 1.251 1177 S CB 0.169 63.292 63.200 -0.128 0.000 1.153 1177 S HN 0.519 nan 8.310 nan 0.000 0.439 1178 V N 4.341 123.885 119.914 -0.618 0.000 2.498 1178 V HA 0.455 4.552 4.120 -0.039 0.000 0.279 1178 V C 0.501 176.288 176.094 -0.513 0.000 1.048 1178 V CA -0.376 61.539 62.300 -0.642 0.000 0.967 1178 V CB 1.477 32.702 31.823 -0.997 0.000 0.988 1178 V HN 0.899 nan 8.190 nan 0.000 0.473 1179 S N 3.538 119.016 115.700 -0.371 0.000 2.532 1179 S HA 0.725 5.171 4.470 -0.039 0.000 0.318 1179 S C 0.162 174.631 174.600 -0.220 0.000 1.083 1179 S CA -0.188 57.847 58.200 -0.276 0.000 1.131 1179 S CB 1.187 64.184 63.200 -0.338 0.000 0.973 1179 S HN 0.924 nan 8.310 nan 0.000 0.468 1180 G N 2.376 111.166 108.800 -0.017 0.000 3.008 1180 G HA2 0.687 4.624 3.960 -0.039 0.000 0.181 1180 G HA3 0.687 4.624 3.960 -0.039 0.000 0.181 1180 G C -0.893 173.974 174.900 -0.055 0.000 1.309 1180 G CA -0.830 44.275 45.100 0.008 0.000 1.009 1180 G HN 0.520 nan 8.290 nan 0.000 0.584 1181 K N 0.106 120.422 120.400 -0.140 0.000 2.385 1181 K HA 0.401 4.698 4.320 -0.039 0.000 0.248 1181 K C -0.550 175.829 176.600 -0.370 0.000 0.955 1181 K CA -0.482 55.639 56.287 -0.276 0.000 0.816 1181 K CB 2.089 34.330 32.500 -0.431 0.000 1.250 1181 K HN 0.859 nan 8.250 nan 0.000 0.434 1182 Q N 0.573 120.156 119.800 -0.360 0.000 2.458 1182 Q HA 0.548 4.865 4.340 -0.039 0.000 0.282 1182 Q C -0.712 175.045 176.000 -0.406 0.000 1.106 1182 Q CA -0.806 54.777 55.803 -0.366 0.000 0.814 1182 Q CB 1.213 29.832 28.738 -0.197 0.000 1.425 1182 Q HN 0.304 nan 8.270 nan 0.000 0.437 1193 S N -0.375 115.369 115.700 0.074 0.000 2.672 1193 S HA 0.915 5.362 4.470 -0.039 0.000 0.271 1193 S C -0.934 173.670 174.600 0.006 0.000 1.171 1193 S CA -0.313 57.908 58.200 0.035 0.000 0.817 1193 S CB 1.713 64.915 63.200 0.003 0.000 1.150 1193 S HN 1.578 nan 8.310 nan 0.000 0.478 1194 M N 1.846 121.376 119.600 -0.116 0.000 2.016 1194 M HA 0.399 4.856 4.480 -0.039 0.000 0.315 1194 M C -0.469 175.705 176.300 -0.210 0.000 0.930 1194 M CA -0.373 54.767 55.300 -0.266 0.000 0.899 1194 M CB 1.529 33.831 32.600 -0.497 0.000 1.401 1194 M HN 0.648 nan 8.290 nan 0.000 0.386 1195 K N 2.291 122.597 120.400 -0.157 0.000 2.237 1195 K HA 0.135 4.432 4.320 -0.039 0.000 0.270 1195 K C -0.468 176.046 176.600 -0.144 0.000 1.015 1195 K CA -0.318 55.899 56.287 -0.115 0.000 0.949 1195 K CB 0.886 33.341 32.500 -0.075 0.000 0.976 1195 K HN 0.591 nan 8.250 nan 0.000 0.472 1196 D N 2.207 122.545 120.400 -0.103 0.000 2.362 1196 D HA 0.149 4.765 4.640 -0.039 0.000 0.242 1196 D C -0.715 175.540 176.300 -0.074 0.000 1.132 1196 D CA -0.244 53.699 54.000 -0.095 0.000 0.907 1196 D CB 0.928 41.690 40.800 -0.063 0.000 1.195 1196 D HN 0.163 nan 8.370 nan 0.000 0.429 1197 K N 0.287 120.651 120.400 -0.060 0.000 2.652 1197 K HA 0.289 4.586 4.320 -0.039 0.000 0.249 1197 K C -2.021 174.623 176.600 0.074 0.000 0.986 1197 K CA -0.476 55.797 56.287 -0.023 0.000 0.867 1197 K CB 1.421 33.873 32.500 -0.079 0.000 1.201 1197 K HN 0.299 nan 8.250 nan 0.000 0.450 1198 D N 3.500 123.945 120.400 0.074 0.000 2.210 1198 D HA 0.539 5.156 4.640 -0.039 0.000 0.249 1198 D C -0.659 175.755 176.300 0.190 0.000 1.062 1198 D CA 0.122 54.173 54.000 0.084 0.000 0.891 1198 D CB 0.674 41.482 40.800 0.013 0.000 1.186 1198 D HN 0.496 nan 8.370 nan 0.000 0.432 1199 Y N -1.899 118.354 120.300 -0.079 0.000 2.670 1199 Y HA 0.530 5.057 4.550 -0.039 0.000 0.334 1199 Y C -1.292 174.551 175.900 -0.096 0.000 1.185 1199 Y CA -1.643 56.417 58.100 -0.067 0.000 1.053 1199 Y CB 1.238 39.660 38.460 -0.064 0.000 1.298 1199 Y HN 0.202 nan 8.280 nan 0.000 0.459 1200 N N 3.139 121.828 118.700 -0.018 0.000 2.682 1200 N HA 0.280 4.996 4.740 -0.039 0.000 0.252 1200 N C -3.142 172.347 175.510 -0.034 0.000 1.081 1200 N CA -1.360 51.586 53.050 -0.175 0.000 0.844 1200 N CB 1.916 40.368 38.487 -0.059 0.000 1.167 1200 N HN 0.437 nan 8.380 nan 0.000 0.523 1201 P HA 0.070 nan 4.420 nan 0.000 0.268 1201 P C -0.482 176.915 177.300 0.161 0.000 1.205 1201 P CA -0.457 62.709 63.100 0.109 0.000 0.771 1201 P CB 1.242 33.035 31.700 0.155 0.000 0.858 1202 L N 5.010 126.381 121.223 0.246 0.000 2.343 1202 L HA 0.479 4.796 4.340 -0.039 0.000 0.278 1202 L C -0.767 176.241 176.870 0.230 0.000 0.996 1202 L CA -0.526 54.500 54.840 0.310 0.000 0.831 1202 L CB 0.701 42.939 42.059 0.298 0.000 1.232 1202 L HN 0.243 nan 8.230 nan 0.000 0.413 1203 I N 4.453 125.155 120.570 0.221 0.000 2.406 1203 I HA 0.602 4.748 4.170 -0.039 0.000 0.290 1203 I C 0.371 176.604 176.117 0.193 0.000 0.999 1203 I CA -0.601 60.812 61.300 0.189 0.000 1.124 1203 I CB 1.863 39.943 38.000 0.132 0.000 1.289 1203 I HN 0.723 nan 8.210 nan 0.000 0.441 1204 G N 5.333 114.281 108.800 0.246 0.000 2.452 1204 G HA2 0.718 4.655 3.960 -0.039 0.000 0.324 1204 G HA3 0.718 4.655 3.960 -0.039 0.000 0.324 1204 G C -1.160 173.928 174.900 0.314 0.000 1.214 1204 G CA -0.639 44.622 45.100 0.269 0.000 0.947 1204 G HN 0.621 nan 8.290 nan 0.000 0.478 1205 R N 0.114 120.756 120.500 0.236 0.000 2.604 1205 R HA 0.658 4.975 4.340 -0.039 0.000 0.281 1205 R C -1.588 174.827 176.300 0.193 0.000 1.020 1205 R CA -0.515 55.700 56.100 0.191 0.000 0.899 1205 R CB 2.381 32.751 30.300 0.117 0.000 1.205 1205 R HN 0.606 nan 8.270 nan 0.000 0.450 1206 T N 1.699 116.378 114.554 0.207 0.000 2.952 1206 T HA 0.789 5.116 4.350 -0.039 0.000 0.305 1206 T C -1.020 173.761 174.700 0.133 0.000 1.064 1206 T CA -0.135 62.071 62.100 0.177 0.000 1.008 1206 T CB 1.578 70.574 68.868 0.215 0.000 1.078 1206 T HN 0.834 nan 8.240 nan 0.000 0.459 1207 G N 1.636 110.495 108.800 0.099 0.000 2.550 1207 G HA2 0.607 4.544 3.960 -0.039 0.000 0.293 1207 G HA3 0.607 4.544 3.960 -0.039 0.000 0.293 1207 G C -2.013 172.931 174.900 0.072 0.000 1.402 1207 G CA -0.432 44.702 45.100 0.057 0.000 0.784 1207 G HN 0.890 nan 8.290 nan 0.000 0.482 1208 V N 0.366 120.312 119.914 0.054 0.000 2.709 1208 V HA 0.606 4.702 4.120 -0.039 0.000 0.308 1208 V C -1.362 174.777 176.094 0.075 0.000 1.062 1208 V CA -0.779 61.570 62.300 0.081 0.000 0.901 1208 V CB 2.198 34.059 31.823 0.064 0.000 1.003 1208 V HN 0.716 nan 8.190 nan 0.000 0.425 1209 D N 1.878 122.356 120.400 0.129 0.000 2.350 1209 D HA 0.694 5.311 4.640 -0.039 0.000 0.245 1209 D C -0.638 175.691 176.300 0.048 0.000 1.036 1209 D CA -0.095 53.973 54.000 0.112 0.000 0.848 1209 D CB 2.264 43.197 40.800 0.221 0.000 1.307 1209 D HN 0.536 nan 8.370 nan 0.000 0.469 1210 V N -1.064 118.754 119.914 -0.160 0.000 2.735 1210 V HA 1.037 5.134 4.120 -0.039 0.000 0.310 1210 V C 0.157 175.779 176.094 -0.786 0.000 1.061 1210 V CA -0.764 61.273 62.300 -0.439 0.000 0.913 1210 V CB 1.694 33.360 31.823 -0.262 0.000 1.005 1210 V HN 0.546 nan 8.190 nan 0.000 0.428 1211 G N 1.345 109.235 108.800 -1.518 0.000 2.659 1211 G HA2 0.653 4.589 3.960 -0.039 0.000 0.296 1211 G HA3 0.653 4.589 3.960 -0.039 0.000 0.296 1211 G C -1.578 172.721 174.900 -1.002 0.000 1.369 1211 G CA -0.822 43.494 45.100 -1.307 0.000 0.937 1211 G HN 0.831 nan 8.290 nan 0.000 0.485 1212 K N -0.228 119.904 120.400 -0.447 0.000 2.422 1212 K HA 0.825 5.122 4.320 -0.039 0.000 0.251 1212 K C -0.117 176.346 176.600 -0.228 0.000 0.933 1212 K CA -0.412 55.679 56.287 -0.327 0.000 0.798 1212 K CB 1.685 34.014 32.500 -0.286 0.000 1.238 1212 K HN 1.257 nan 8.250 nan 0.000 0.428 1213 S N 1.774 117.291 115.700 -0.306 0.000 2.621 1213 S HA 0.856 5.303 4.470 -0.039 0.000 0.302 1213 S C -0.732 173.508 174.600 -0.599 0.000 1.093 1213 S CA -0.734 57.340 58.200 -0.209 0.000 1.017 1213 S CB 0.794 63.997 63.200 0.004 0.000 1.077 1213 S HN 0.520 nan 8.310 nan 0.000 0.517 1214 F N 0.008 120.010 119.950 0.086 0.000 2.578 1214 F HA 0.710 5.213 4.527 -0.039 0.000 0.311 1214 F C -0.016 175.674 175.800 -0.183 0.000 1.094 1214 F CA -0.524 57.540 58.000 0.106 0.000 0.923 1214 F CB 2.579 41.781 39.000 0.336 0.000 1.230 1214 F HN 0.651 nan 8.300 nan 0.000 0.450 1215 S N 0.080 115.473 115.700 -0.513 0.000 2.533 1215 S HA 0.743 5.189 4.470 -0.039 0.000 0.271 1215 S C -0.205 173.547 174.600 -1.413 0.000 1.143 1215 S CA -0.883 56.616 58.200 -1.168 0.000 0.891 1215 S CB 1.818 64.717 63.200 -0.501 0.000 1.105 1215 S HN 0.989 nan 8.310 nan 0.000 0.468 1216 G N 0.852 108.459 108.800 -1.988 0.000 2.940 1216 G HA2 0.601 4.538 3.960 -0.039 0.000 0.164 1216 G HA3 0.601 4.538 3.960 -0.039 0.000 0.164 1216 G C 0.649 175.288 174.900 -0.435 0.000 1.326 1216 G CA -0.053 44.573 45.100 -0.790 0.000 1.020 1216 G HN 0.813 nan 8.290 nan 0.000 0.586 1217 K N -1.054 119.246 120.400 -0.166 0.000 2.356 1217 K HA 0.212 4.508 4.320 -0.039 0.000 0.195 1217 K C 1.559 178.122 176.600 -0.062 0.000 1.037 1217 K CA 1.692 57.923 56.287 -0.093 0.000 1.014 1217 K CB -0.207 32.282 32.500 -0.018 0.000 0.815 1217 K HN 0.378 nan 8.250 nan 0.000 0.507 1218 D N -1.273 119.115 120.400 -0.020 0.000 2.840 1218 D HA 0.050 4.667 4.640 -0.039 0.000 0.277 1218 D C 0.794 177.147 176.300 0.087 0.000 1.066 1218 D CA 0.243 54.289 54.000 0.077 0.000 0.979 1218 D CB -0.202 40.712 40.800 0.192 0.000 1.157 1218 D HN 0.688 nan 8.370 nan 0.000 0.466 1219 W N 2.108 123.442 121.300 0.056 0.000 2.316 1219 W HA 0.618 5.255 4.660 -0.039 0.000 0.321 1219 W C -0.178 176.376 176.519 0.059 0.000 1.203 1219 W CA -0.615 56.768 57.345 0.063 0.000 1.214 1219 W CB 0.770 30.273 29.460 0.072 0.000 1.169 1219 W HN -0.301 nan 8.180 nan 0.000 0.561 1220 K N 2.197 122.662 120.400 0.108 0.000 2.371 1220 K HA 0.585 4.882 4.320 -0.039 0.000 0.251 1220 K C -1.879 174.856 176.600 0.225 0.000 0.934 1220 K CA -0.811 55.490 56.287 0.023 0.000 0.798 1220 K CB 2.650 35.116 32.500 -0.058 0.000 1.204 1220 K HN 0.441 nan 8.250 nan 0.000 0.427 1221 V N 2.666 122.762 119.914 0.304 0.000 2.567 1221 V HA 0.238 4.335 4.120 -0.039 0.000 0.298 1221 V C -0.973 175.296 176.094 0.292 0.000 1.047 1221 V CA -0.690 61.775 62.300 0.275 0.000 0.880 1221 V CB 2.038 34.059 31.823 0.331 0.000 1.009 1221 V HN 0.815 nan 8.190 nan 0.000 0.429 1222 T N 4.943 119.606 114.554 0.181 0.000 2.801 1222 T HA 0.594 4.921 4.350 -0.039 0.000 0.306 1222 T C 0.365 175.163 174.700 0.163 0.000 1.020 1222 T CA -0.107 62.113 62.100 0.200 0.000 0.948 1222 T CB 1.223 70.241 68.868 0.251 0.000 0.962 1222 T HN 0.871 nan 8.240 nan 0.000 0.465 1223 A N 4.661 127.593 122.820 0.187 0.000 2.440 1223 A HA 0.645 4.942 4.320 -0.039 0.000 0.251 1223 A C 0.616 178.211 177.584 0.018 0.000 1.089 1223 A CA -0.463 51.641 52.037 0.112 0.000 0.779 1223 A CB 0.278 19.370 19.000 0.154 0.000 1.022 1223 A HN 0.924 nan 8.150 nan 0.000 0.492 1224 R N 0.660 121.163 120.500 0.004 0.000 2.739 1224 R HA 0.842 5.159 4.340 -0.039 0.000 0.271 1224 R C -1.014 175.268 176.300 -0.029 0.000 1.010 1224 R CA -0.350 55.715 56.100 -0.058 0.000 0.897 1224 R CB 1.703 32.017 30.300 0.024 0.000 1.236 1224 R HN 1.275 nan 8.270 nan 0.000 0.466 1225 A N 0.414 123.198 122.820 -0.059 0.000 2.606 1225 A HA 0.857 5.154 4.320 -0.039 0.000 0.293 1225 A C -1.157 176.414 177.584 -0.022 0.000 1.082 1225 A CA -0.399 51.625 52.037 -0.022 0.000 0.685 1225 A CB 2.124 21.109 19.000 -0.025 0.000 1.284 1225 A HN 1.023 nan 8.150 nan 0.000 0.408 1226 G N -0.252 108.546 108.800 -0.003 0.000 2.696 1226 G HA2 0.621 4.558 3.960 -0.039 0.000 0.295 1226 G HA3 0.621 4.558 3.960 -0.039 0.000 0.295 1226 G C -1.570 173.319 174.900 -0.018 0.000 1.398 1226 G CA -0.499 44.601 45.100 0.000 0.000 0.920 1226 G HN 0.724 nan 8.290 nan 0.000 0.492 1227 L N 0.070 121.273 121.223 -0.033 0.000 2.323 1227 L HA 0.963 5.280 4.340 -0.039 0.000 0.265 1227 L C 0.588 177.401 176.870 -0.094 0.000 1.012 1227 L CA -0.654 54.140 54.840 -0.076 0.000 0.820 1227 L CB 2.619 44.619 42.059 -0.097 0.000 1.334 1227 L HN 0.943 nan 8.230 nan 0.000 0.427 1228 G N -0.319 108.379 108.800 -0.170 0.000 2.441 1228 G HA2 0.495 4.432 3.960 -0.039 0.000 0.294 1228 G HA3 0.495 4.432 3.960 -0.039 0.000 0.294 1228 G C -2.507 172.233 174.900 -0.268 0.000 1.393 1228 G CA -0.369 44.636 45.100 -0.159 0.000 0.796 1228 G HN 0.184 nan 8.290 nan 0.000 0.494 1229 Y N -0.133 120.133 120.300 -0.057 0.000 2.446 1229 Y HA 0.748 5.274 4.550 -0.039 0.000 0.345 1229 Y C 0.251 175.932 175.900 -0.364 0.000 0.984 1229 Y CA -0.758 57.207 58.100 -0.225 0.000 1.058 1229 Y CB 2.673 40.996 38.460 -0.228 0.000 1.220 1229 Y HN 0.590 nan 8.280 nan 0.000 0.455 1230 Q N 2.765 122.348 119.800 -0.361 0.000 2.347 1230 Q HA 0.667 4.984 4.340 -0.039 0.000 0.271 1230 Q C -2.094 173.572 176.000 -0.557 0.000 1.064 1230 Q CA -0.592 55.016 55.803 -0.326 0.000 0.800 1230 Q CB 1.647 30.341 28.738 -0.074 0.000 1.304 1230 Q HN 0.627 nan 8.270 nan 0.000 0.438 1231 F N 1.641 121.655 119.950 0.107 0.000 2.588 1231 F HA 0.542 5.046 4.527 -0.039 0.000 0.314 1231 F C -0.487 175.366 175.800 0.089 0.000 1.069 1231 F CA -0.918 57.135 58.000 0.087 0.000 0.931 1231 F CB 1.907 40.944 39.000 0.062 0.000 1.260 1231 F HN 0.392 nan 8.300 nan 0.000 0.465 1232 D N 1.952 122.517 120.400 0.274 0.000 2.819 1232 D HA 0.424 5.041 4.640 -0.039 0.000 0.232 1232 D C -1.573 174.832 176.300 0.175 0.000 1.160 1232 D CA -0.398 53.725 54.000 0.204 0.000 0.858 1232 D CB 3.134 44.027 40.800 0.155 0.000 1.610 1232 D HN 0.537 nan 8.370 nan 0.000 0.481 1233 L N 1.476 122.796 121.223 0.161 0.000 2.319 1233 L HA 0.365 4.681 4.340 -0.039 0.000 0.281 1233 L C -1.004 175.954 176.870 0.147 0.000 1.005 1233 L CA -0.776 54.144 54.840 0.133 0.000 0.828 1233 L CB 0.994 43.122 42.059 0.114 0.000 1.227 1233 L HN 0.302 nan 8.230 nan 0.000 0.415 1234 L N 5.967 127.267 121.223 0.128 0.000 2.315 1234 L HA 0.426 4.743 4.340 -0.039 0.000 0.278 1234 L C 0.612 177.565 176.870 0.137 0.000 1.088 1234 L CA -0.413 54.523 54.840 0.160 0.000 0.899 1234 L CB 0.998 43.123 42.059 0.110 0.000 1.277 1234 L HN 0.686 nan 8.230 nan 0.000 0.431 1235 A N 4.311 127.231 122.820 0.166 0.000 2.444 1235 A HA 0.218 4.514 4.320 -0.039 0.000 0.287 1235 A C 0.667 178.329 177.584 0.129 0.000 1.195 1235 A CA -0.179 51.938 52.037 0.132 0.000 0.858 1235 A CB -0.351 18.739 19.000 0.149 0.000 1.117 1235 A HN 0.880 nan 8.150 nan 0.000 0.521 1236 N N 1.236 119.977 118.700 0.068 0.000 2.814 1236 N HA -0.166 4.551 4.740 -0.039 0.000 0.247 1236 N C 0.544 176.051 175.510 -0.005 0.000 1.089 1236 N CA 1.750 54.822 53.050 0.037 0.000 0.682 1236 N CB -1.397 37.124 38.487 0.057 0.000 0.970 1236 N HN 1.868 nan 8.380 nan 0.000 0.554 1237 G N 0.604 109.325 108.800 -0.132 0.000 2.013 1237 G HA2 -0.176 3.761 3.960 -0.039 0.000 0.076 1237 G HA3 -0.176 3.761 3.960 -0.039 0.000 0.076 1237 G C 0.292 175.094 174.900 -0.163 0.000 1.053 1237 G CA 0.345 45.382 45.100 -0.106 0.000 1.230 1237 G HN 0.259 nan 8.290 nan 0.000 0.431 1238 E N 0.055 120.197 120.200 -0.098 0.000 2.267 1238 E HA -0.092 4.235 4.350 -0.039 0.000 0.197 1238 E C 1.945 178.479 176.600 -0.111 0.000 0.998 1238 E CA 1.985 58.333 56.400 -0.087 0.000 0.830 1238 E CB -0.122 29.550 29.700 -0.047 0.000 0.751 1238 E HN 0.414 nan 8.360 nan 0.000 0.491 1239 T N -0.295 114.179 114.554 -0.133 0.000 3.069 1239 T HA 0.134 4.461 4.350 -0.039 0.000 0.252 1239 T C 0.017 174.600 174.700 -0.195 0.000 1.053 1239 T CA -0.156 61.871 62.100 -0.122 0.000 0.964 1239 T CB 0.231 69.048 68.868 -0.086 0.000 1.005 1239 T HN -0.076 nan 8.240 nan 0.000 0.532 1240 V N 3.926 123.655 119.914 -0.308 0.000 2.572 1240 V HA 0.275 4.372 4.120 -0.039 0.000 0.291 1240 V C 0.480 176.361 176.094 -0.355 0.000 1.039 1240 V CA -0.796 61.252 62.300 -0.420 0.000 1.055 1240 V CB 0.339 31.685 31.823 -0.796 0.000 0.969 1240 V HN 0.457 nan 8.190 nan 0.000 0.482 1241 L N 5.654 126.639 121.223 -0.397 0.000 2.397 1241 L HA 0.413 4.730 4.340 -0.039 0.000 0.271 1241 L C 0.283 176.936 176.870 -0.362 0.000 1.148 1241 L CA 0.180 54.754 54.840 -0.443 0.000 0.825 1241 L CB 0.309 41.861 42.059 -0.845 0.000 1.117 1241 L HN 0.620 nan 8.230 nan 0.000 0.456 1242 R N 3.006 123.330 120.500 -0.294 0.000 2.202 1242 R HA 0.291 4.608 4.340 -0.039 0.000 0.334 1242 R C -0.940 175.188 176.300 -0.287 0.000 1.036 1242 R CA -0.336 55.603 56.100 -0.269 0.000 0.878 1242 R CB 0.336 30.465 30.300 -0.286 0.000 1.067 1242 R HN 1.009 nan 8.270 nan 0.000 0.457 1243 D N 2.675 122.969 120.400 -0.175 0.000 2.720 1243 D HA 0.203 4.819 4.640 -0.039 0.000 0.232 1243 D C 0.072 176.480 176.300 0.179 0.000 1.173 1243 D CA -0.553 53.397 54.000 -0.083 0.000 1.082 1243 D CB 0.167 40.968 40.800 0.001 0.000 1.235 1243 D HN 0.265 nan 8.370 nan 0.000 0.636 1244 A N -0.719 122.216 122.820 0.192 0.000 2.337 1244 A HA 0.214 4.511 4.320 -0.039 0.000 0.227 1244 A C 1.630 179.258 177.584 0.073 0.000 1.259 1244 A CA 0.558 52.727 52.037 0.219 0.000 0.870 1244 A CB -0.811 18.315 19.000 0.209 0.000 0.927 1244 A HN 0.358 nan 8.150 nan 0.000 0.497 1245 S N -0.462 115.212 115.700 -0.044 0.000 2.461 1245 S HA 0.240 4.687 4.470 -0.039 0.000 0.228 1245 S C 1.561 176.030 174.600 -0.219 0.000 1.005 1245 S CA 1.618 59.679 58.200 -0.232 0.000 0.942 1245 S CB -0.296 62.629 63.200 -0.459 0.000 0.776 1245 S HN 1.798 nan 8.310 nan 0.000 0.514 1246 G N 0.848 109.582 108.800 -0.110 0.000 2.141 1246 G HA2 -0.226 3.711 3.960 -0.039 0.000 0.242 1246 G HA3 -0.226 3.711 3.960 -0.039 0.000 0.242 1246 G C 0.428 175.235 174.900 -0.155 0.000 0.982 1246 G CA 0.555 45.573 45.100 -0.136 0.000 0.662 1246 G HN 0.613 nan 8.290 nan 0.000 0.527 1247 E N 0.209 120.320 120.200 -0.148 0.000 2.025 1247 E HA 0.054 4.381 4.350 -0.039 0.000 0.198 1247 E C 1.160 177.749 176.600 -0.019 0.000 0.955 1247 E CA 0.252 56.613 56.400 -0.066 0.000 0.862 1247 E CB 0.050 29.738 29.700 -0.020 0.000 0.837 1247 E HN 0.382 nan 8.360 nan 0.000 0.488 1248 K N 1.285 121.659 120.400 -0.043 0.000 2.349 1248 K HA 0.087 4.384 4.320 -0.039 0.000 0.288 1248 K C 0.411 176.875 176.600 -0.228 0.000 1.058 1248 K CA 0.098 56.307 56.287 -0.131 0.000 0.953 1248 K CB 0.536 32.905 32.500 -0.218 0.000 0.997 1248 K HN 0.001 nan 8.250 nan 0.000 0.477 1249 R N 4.487 124.830 120.500 -0.262 0.000 2.509 1249 R HA 0.276 4.593 4.340 -0.039 0.000 0.300 1249 R C -0.092 176.016 176.300 -0.321 0.000 0.985 1249 R CA -0.106 55.753 56.100 -0.402 0.000 1.092 1249 R CB 0.069 30.052 30.300 -0.529 0.000 1.237 1249 R HN 0.620 nan 8.270 nan 0.000 0.546 1250 I N -3.811 116.629 120.570 -0.215 0.000 3.191 1250 I HA 0.469 4.616 4.170 -0.039 0.000 0.313 1250 I C -1.295 174.768 176.117 -0.090 0.000 1.193 1250 I CA -1.348 59.903 61.300 -0.081 0.000 0.968 1250 I CB 2.211 40.217 38.000 0.010 0.000 1.262 1250 I HN -0.214 nan 8.210 nan 0.000 0.456 1251 K N 2.294 122.676 120.400 -0.031 0.000 2.258 1251 K HA 0.598 4.894 4.320 -0.039 0.000 0.284 1251 K C 0.276 176.866 176.600 -0.016 0.000 1.051 1251 K CA 0.480 56.752 56.287 -0.025 0.000 0.923 1251 K CB 1.198 33.701 32.500 0.005 0.000 1.046 1251 K HN 1.034 nan 8.250 nan 0.000 0.474 1252 G N 2.389 111.168 108.800 -0.034 0.000 2.545 1252 G HA2 -0.265 3.672 3.960 -0.039 0.000 0.216 1252 G HA3 -0.265 3.672 3.960 -0.039 0.000 0.216 1252 G C -0.013 174.871 174.900 -0.028 0.000 1.314 1252 G CA -0.027 45.060 45.100 -0.022 0.000 0.906 1252 G HN 0.729 nan 8.290 nan 0.000 0.563 1253 E N -1.221 118.979 120.200 0.000 0.000 2.641 1253 E HA 0.421 4.747 4.350 -0.039 0.000 0.224 1253 E C 0.263 176.894 176.600 0.052 0.000 0.951 1253 E CA -0.029 56.380 56.400 0.016 0.000 1.102 1253 E CB 0.819 30.528 29.700 0.016 0.000 1.091 1253 E HN 0.329 nan 8.360 nan 0.000 0.507 1254 K N 0.943 121.377 120.400 0.057 0.000 2.371 1254 K HA 0.565 4.862 4.320 -0.039 0.000 0.251 1254 K C -1.582 175.077 176.600 0.099 0.000 0.934 1254 K CA -0.790 55.547 56.287 0.084 0.000 0.798 1254 K CB 2.232 34.777 32.500 0.074 0.000 1.204 1254 K HN 0.185 nan 8.250 nan 0.000 0.427 1255 D N -0.456 120.024 120.400 0.132 0.000 2.654 1255 D HA 0.464 5.081 4.640 -0.039 0.000 0.231 1255 D C -1.610 174.784 176.300 0.158 0.000 1.239 1255 D CA -0.224 53.857 54.000 0.136 0.000 0.790 1255 D CB 1.888 42.769 40.800 0.135 0.000 1.480 1255 D HN 0.540 nan 8.370 nan 0.000 0.442 1256 S N 1.335 117.108 115.700 0.122 0.000 2.572 1256 S HA 0.812 5.259 4.470 -0.039 0.000 0.274 1256 S C -0.705 173.918 174.600 0.038 0.000 1.150 1256 S CA -1.012 57.212 58.200 0.040 0.000 0.944 1256 S CB 1.806 65.062 63.200 0.093 0.000 1.071 1256 S HN 0.466 nan 8.310 nan 0.000 0.479 1257 R N 1.275 121.766 120.500 -0.014 0.000 2.854 1257 R HA 0.556 4.873 4.340 -0.039 0.000 0.271 1257 R C -0.879 175.501 176.300 0.134 0.000 0.996 1257 R CA -0.826 55.320 56.100 0.076 0.000 0.961 1257 R CB 2.085 32.408 30.300 0.038 0.000 1.182 1257 R HN 0.739 nan 8.270 nan 0.000 0.479 1258 M N 3.240 122.963 119.600 0.206 0.000 2.209 1258 M HA 0.357 4.814 4.480 -0.039 0.000 0.355 1258 M C -1.338 174.961 176.300 -0.001 0.000 1.171 1258 M CA -0.475 54.904 55.300 0.132 0.000 1.069 1258 M CB 0.739 33.489 32.600 0.251 0.000 1.622 1258 M HN 0.424 nan 8.290 nan 0.000 0.459 1259 L N 6.175 127.357 121.223 -0.068 0.000 2.295 1259 L HA 0.515 4.832 4.340 -0.039 0.000 0.285 1259 L C -0.855 175.969 176.870 -0.075 0.000 1.035 1259 L CA -0.417 54.382 54.840 -0.069 0.000 0.806 1259 L CB 1.619 43.644 42.059 -0.057 0.000 1.214 1259 L HN 0.797 nan 8.230 nan 0.000 0.426 1260 M N 3.272 122.830 119.600 -0.070 0.000 2.393 1260 M HA 0.541 4.998 4.480 -0.039 0.000 0.316 1260 M C -0.547 175.722 176.300 -0.051 0.000 1.087 1260 M CA -0.321 54.949 55.300 -0.049 0.000 0.937 1260 M CB 2.334 34.914 32.600 -0.032 0.000 1.668 1260 M HN 0.603 nan 8.290 nan 0.000 0.438 1261 S N 1.484 117.175 115.700 -0.015 0.000 2.550 1261 S HA 0.888 5.335 4.470 -0.039 0.000 0.270 1261 S C -1.501 173.131 174.600 0.053 0.000 1.145 1261 S CA -0.892 57.309 58.200 0.003 0.000 0.852 1261 S CB 2.312 65.504 63.200 -0.014 0.000 1.119 1261 S HN 0.751 nan 8.310 nan 0.000 0.465 1262 V N 0.623 120.597 119.914 0.100 0.000 2.817 1262 V HA 0.902 4.998 4.120 -0.039 0.000 0.303 1262 V C -0.138 176.019 176.094 0.105 0.000 1.151 1262 V CA 0.833 63.192 62.300 0.098 0.000 0.929 1262 V CB 1.363 33.254 31.823 0.114 0.000 1.030 1262 V HN 1.867 nan 8.190 nan 0.000 0.427 1263 G N 4.901 113.742 108.800 0.068 0.000 2.488 1263 G HA2 0.631 4.567 3.960 -0.039 0.000 0.301 1263 G HA3 0.631 4.567 3.960 -0.039 0.000 0.301 1263 G C -2.584 172.341 174.900 0.043 0.000 1.339 1263 G CA -0.706 44.431 45.100 0.061 0.000 0.803 1263 G HN 0.828 nan 8.290 nan 0.000 0.482 1264 L N -0.158 121.078 121.223 0.021 0.000 2.354 1264 L HA 0.554 4.871 4.340 -0.039 0.000 0.264 1264 L C -0.255 176.568 176.870 -0.077 0.000 1.008 1264 L CA -0.917 53.916 54.840 -0.011 0.000 0.819 1264 L CB 2.114 44.155 42.059 -0.030 0.000 1.339 1264 L HN 0.606 nan 8.230 nan 0.000 0.420 1265 N N 0.795 119.449 118.700 -0.076 0.000 2.518 1265 N HA 0.708 5.425 4.740 -0.039 0.000 0.254 1265 N C -0.861 174.521 175.510 -0.214 0.000 0.979 1265 N CA -0.427 52.532 53.050 -0.151 0.000 0.930 1265 N CB 1.793 40.243 38.487 -0.061 0.000 1.152 1265 N HN 0.789 nan 8.380 nan 0.000 0.505 1266 A N 2.107 124.624 122.820 -0.504 0.000 2.279 1266 A HA 0.512 4.809 4.320 -0.039 0.000 0.303 1266 A C -0.228 177.230 177.584 -0.210 0.000 1.108 1266 A CA -0.273 51.474 52.037 -0.484 0.000 0.830 1266 A CB 0.803 19.055 19.000 -1.247 0.000 1.106 1266 A HN 0.692 nan 8.150 nan 0.000 0.493 1267 E N 1.100 121.294 120.200 -0.011 0.000 2.294 1267 E HA 0.504 4.831 4.350 -0.039 0.000 0.272 1267 E C -1.853 174.834 176.600 0.146 0.000 0.896 1267 E CA -0.234 56.200 56.400 0.057 0.000 0.802 1267 E CB 1.059 30.773 29.700 0.022 0.000 1.267 1267 E HN 0.593 nan 8.360 nan 0.000 0.406 1268 I N 5.220 125.894 120.570 0.174 0.000 2.382 1268 I HA 0.389 4.536 4.170 -0.039 0.000 0.286 1268 I C 0.938 177.143 176.117 0.146 0.000 1.002 1268 I CA -0.573 60.846 61.300 0.200 0.000 1.135 1268 I CB 1.272 39.418 38.000 0.243 0.000 1.288 1268 I HN 0.765 nan 8.210 nan 0.000 0.448 1269 R N 3.104 123.681 120.500 0.129 0.000 3.812 1269 R HA -0.274 4.042 4.340 -0.039 0.000 0.448 1269 R C 0.113 176.450 176.300 0.062 0.000 0.241 1269 R CA 2.242 58.395 56.100 0.088 0.000 1.418 1269 R CB -0.661 29.693 30.300 0.090 0.000 0.951 1269 R HN 0.664 nan 8.270 nan 0.000 0.584 1270 D N -1.273 119.161 120.400 0.055 0.000 2.479 1270 D HA 0.136 4.753 4.640 -0.039 0.000 0.221 1270 D C 0.745 177.062 176.300 0.029 0.000 1.104 1270 D CA 0.606 54.627 54.000 0.035 0.000 0.849 1270 D CB 0.077 40.893 40.800 0.027 0.000 1.072 1270 D HN 0.284 nan 8.370 nan 0.000 0.502 1271 N N -0.691 118.029 118.700 0.034 0.000 2.460 1271 N HA 0.085 4.801 4.740 -0.039 0.000 0.193 1271 N C -0.154 175.384 175.510 0.047 0.000 1.080 1271 N CA 0.247 53.289 53.050 -0.013 0.000 0.869 1271 N CB 1.510 39.941 38.487 -0.094 0.000 1.201 1271 N HN -0.158 nan 8.380 nan 0.000 0.457 1272 V N 2.225 122.212 119.914 0.120 0.000 2.370 1272 V HA 0.457 4.554 4.120 -0.039 0.000 0.283 1272 V C -0.241 175.983 176.094 0.217 0.000 1.023 1272 V CA -0.608 61.814 62.300 0.203 0.000 0.857 1272 V CB 1.290 33.256 31.823 0.239 0.000 0.985 1272 V HN 0.129 nan 8.190 nan 0.000 0.443 1273 R N 4.417 125.053 120.500 0.227 0.000 2.740 1273 R HA 0.801 5.118 4.340 -0.039 0.000 0.282 1273 R C -1.277 175.202 176.300 0.298 0.000 0.969 1273 R CA -0.599 55.611 56.100 0.183 0.000 0.918 1273 R CB 2.730 33.064 30.300 0.056 0.000 1.175 1273 R HN 0.707 nan 8.270 nan 0.000 0.464 1274 F N -1.755 118.241 119.950 0.077 0.000 2.641 1274 F HA 0.791 5.295 4.527 -0.038 0.000 0.308 1274 F C -1.028 174.726 175.800 -0.076 0.000 1.105 1274 F CA -0.949 57.043 58.000 -0.014 0.000 0.964 1274 F CB 2.144 41.210 39.000 0.110 0.000 1.294 1274 F HN 0.556 nan 8.300 nan 0.000 0.442 1275 G N 2.916 111.651 108.800 -0.107 0.000 2.739 1275 G HA2 0.557 4.494 3.960 -0.039 0.000 0.292 1275 G HA3 0.557 4.494 3.960 -0.039 0.000 0.292 1275 G C -2.750 172.112 174.900 -0.064 0.000 1.444 1275 G CA -0.808 44.196 45.100 -0.160 0.000 1.144 1275 G HN 0.930 nan 8.290 nan 0.000 0.550 1276 L N 1.203 122.427 121.223 0.001 0.000 2.325 1276 L HA 0.849 5.165 4.340 -0.039 0.000 0.278 1276 L C -0.557 176.341 176.870 0.046 0.000 1.023 1276 L CA -0.513 54.357 54.840 0.050 0.000 0.811 1276 L CB 1.725 43.860 42.059 0.127 0.000 1.249 1276 L HN 0.426 nan 8.230 nan 0.000 0.431 1277 E N 3.602 123.840 120.200 0.062 0.000 2.314 1277 E HA 0.308 4.635 4.350 -0.039 0.000 0.272 1277 E C -1.887 174.797 176.600 0.140 0.000 0.884 1277 E CA -0.397 56.051 56.400 0.079 0.000 0.753 1277 E CB 2.614 32.335 29.700 0.034 0.000 1.213 1277 E HN 0.476 nan 8.360 nan 0.000 0.432 1278 F N 1.227 121.181 119.950 0.006 0.000 2.467 1278 F HA 0.369 4.872 4.527 -0.039 0.000 0.336 1278 F C -0.402 175.397 175.800 -0.002 0.000 1.123 1278 F CA -0.267 57.734 58.000 0.001 0.000 0.964 1278 F CB 1.197 40.195 39.000 -0.004 0.000 1.136 1278 F HN 0.131 nan 8.300 nan 0.000 0.447 1279 E N 4.034 123.756 120.200 -0.796 0.000 2.339 1279 E HA 0.674 5.001 4.350 -0.039 0.000 0.262 1279 E C -1.395 174.720 176.600 -0.809 0.000 0.934 1279 E CA -1.151 54.889 56.400 -0.600 0.000 0.802 1279 E CB 2.652 32.190 29.700 -0.271 0.000 1.275 1279 E HN 0.734 nan 8.360 nan 0.000 0.427 1280 K N -0.289 119.860 120.400 -0.419 0.000 2.625 1280 K HA 0.468 4.765 4.320 -0.039 0.000 0.284 1280 K C -1.433 175.060 176.600 -0.177 0.000 0.984 1280 K CA -0.295 55.815 56.287 -0.295 0.000 0.865 1280 K CB 1.857 34.223 32.500 -0.223 0.000 1.468 1280 K HN 0.689 nan 8.250 nan 0.000 0.407 1281 S N 0.929 116.532 115.700 -0.161 0.000 2.661 1281 S HA 0.960 5.407 4.470 -0.039 0.000 0.285 1281 S C -1.432 173.057 174.600 -0.185 0.000 1.138 1281 S CA -0.375 57.745 58.200 -0.134 0.000 0.855 1281 S CB 2.044 65.185 63.200 -0.098 0.000 1.136 1281 S HN 0.888 nan 8.310 nan 0.000 0.484 1282 A N 0.016 122.719 122.820 -0.196 0.000 2.587 1282 A HA 0.808 5.104 4.320 -0.039 0.000 0.293 1282 A C -0.486 176.942 177.584 -0.261 0.000 1.087 1282 A CA -0.591 51.181 52.037 -0.443 0.000 0.692 1282 A CB -0.096 18.385 19.000 -0.865 0.000 1.291 1282 A HN 1.639 nan 8.150 nan 0.000 0.407 1283 F N -1.476 118.479 119.950 0.009 0.000 2.748 1283 F HA -0.210 4.295 4.527 -0.038 0.000 0.370 1283 F C 1.204 177.023 175.800 0.030 0.000 0.620 1283 F CA 0.872 58.888 58.000 0.026 0.000 1.233 1283 F CB -1.633 37.394 39.000 0.045 0.000 1.708 1283 F HN 1.058 nan 8.300 nan 0.000 0.298 1284 G N 0.041 108.917 108.800 0.127 0.000 2.537 1284 G HA2 0.447 4.384 3.960 -0.039 0.000 0.273 1284 G HA3 0.447 4.384 3.960 -0.039 0.000 0.273 1284 G C 0.760 175.725 174.900 0.109 0.000 1.189 1284 G CA -0.274 44.895 45.100 0.115 0.000 0.881 1284 G HN 0.259 nan 8.290 nan 0.000 0.535 1285 K N -0.864 119.618 120.400 0.136 0.000 2.062 1285 K HA -0.019 4.277 4.320 -0.039 0.000 0.205 1285 K C 0.238 176.964 176.600 0.209 0.000 1.051 1285 K CA 0.846 57.222 56.287 0.148 0.000 0.941 1285 K CB -0.032 32.551 32.500 0.139 0.000 0.719 1285 K HN 0.497 nan 8.250 nan 0.000 0.440 1286 Y N 1.075 121.437 120.300 0.103 0.000 2.420 1286 Y HA 0.351 4.877 4.550 -0.039 0.000 0.334 1286 Y C -0.988 174.961 175.900 0.082 0.000 1.094 1286 Y CA -1.162 57.016 58.100 0.129 0.000 1.126 1286 Y CB 1.165 39.719 38.460 0.158 0.000 1.217 1286 Y HN -0.111 nan 8.280 nan 0.000 0.462 1287 N N 3.507 121.750 118.700 -0.763 0.000 2.369 1287 N HA 0.240 4.957 4.740 -0.039 0.000 0.287 1287 N C -1.768 173.332 175.510 -0.682 0.000 1.067 1287 N CA -0.522 52.215 53.050 -0.521 0.000 0.888 1287 N CB 2.595 40.913 38.487 -0.280 0.000 1.616 1287 N HN 0.425 nan 8.380 nan 0.000 0.482 1288 V N 2.776 122.454 119.914 -0.393 0.000 2.446 1288 V HA 0.028 4.124 4.120 -0.039 0.000 0.276 1288 V C 0.956 176.922 176.094 -0.212 0.000 1.030 1288 V CA 0.356 62.515 62.300 -0.235 0.000 1.033 1288 V CB 0.412 32.171 31.823 -0.106 0.000 0.993 1288 V HN 0.576 nan 8.190 nan 0.000 0.477 1289 D N 2.789 123.080 120.400 -0.182 0.000 2.240 1289 D HA 0.070 4.687 4.640 -0.039 0.000 0.206 1289 D C 0.502 176.747 176.300 -0.092 0.000 0.963 1289 D CA 0.849 54.771 54.000 -0.130 0.000 0.863 1289 D CB 0.413 41.149 40.800 -0.107 0.000 0.973 1289 D HN 0.524 nan 8.370 nan 0.000 0.501 1290 N N -0.541 118.096 118.700 -0.104 0.000 2.396 1290 N HA 0.580 5.297 4.740 -0.039 0.000 0.275 1290 N C -1.525 173.887 175.510 -0.164 0.000 1.218 1290 N CA -0.411 52.577 53.050 -0.103 0.000 0.812 1290 N CB 3.002 41.511 38.487 0.037 0.000 1.592 1290 N HN -0.043 nan 8.380 nan 0.000 0.480 1291 A N 0.659 123.335 122.820 -0.240 0.000 2.547 1291 A HA 0.531 4.828 4.320 -0.039 0.000 0.298 1291 A C -1.497 176.035 177.584 -0.088 0.000 1.062 1291 A CA -0.510 51.433 52.037 -0.156 0.000 0.748 1291 A CB 0.756 19.687 19.000 -0.116 0.000 1.288 1291 A HN 0.234 nan 8.150 nan 0.000 0.396 1292 V N 1.715 121.633 119.914 0.007 0.000 2.628 1292 V HA 0.641 4.738 4.120 -0.039 0.000 0.306 1292 V C -0.097 176.037 176.094 0.066 0.000 1.045 1292 V CA -0.718 61.628 62.300 0.078 0.000 0.905 1292 V CB 1.959 33.849 31.823 0.111 0.000 0.997 1292 V HN 0.923 nan 8.190 nan 0.000 0.436 1293 N N 2.046 120.788 118.700 0.070 0.000 2.410 1293 N HA 0.713 5.430 4.740 -0.039 0.000 0.287 1293 N C -0.801 174.731 175.510 0.037 0.000 1.044 1293 N CA -0.204 52.885 53.050 0.066 0.000 0.881 1293 N CB 1.776 40.293 38.487 0.050 0.000 1.405 1293 N HN 0.985 nan 8.380 nan 0.000 0.490 1294 A N 2.891 125.722 122.820 0.017 0.000 2.330 1294 A HA 0.581 4.877 4.320 -0.039 0.000 0.327 1294 A C -0.603 176.850 177.584 -0.218 0.000 1.155 1294 A CA -0.776 51.182 52.037 -0.132 0.000 0.803 1294 A CB 0.587 19.496 19.000 -0.152 0.000 1.208 1294 A HN 0.753 nan 8.150 nan 0.000 0.477 1295 N N 0.061 118.556 118.700 -0.342 0.000 2.476 1295 N HA 0.758 5.475 4.740 -0.039 0.000 0.276 1295 N C -1.510 173.625 175.510 -0.625 0.000 1.204 1295 N CA 0.127 53.029 53.050 -0.248 0.000 0.974 1295 N CB 0.973 39.374 38.487 -0.144 0.000 1.204 1295 N HN 0.459 nan 8.380 nan 0.000 0.543 1296 F N -0.195 119.897 119.950 0.235 0.000 2.651 1296 F HA 0.326 4.829 4.527 -0.040 0.000 0.329 1296 F C 0.026 175.987 175.800 0.269 0.000 1.186 1296 F CA -0.729 57.418 58.000 0.244 0.000 1.046 1296 F CB 1.643 40.754 39.000 0.184 0.000 1.296 1296 F HN 0.152 nan 8.300 nan 0.000 0.497 1297 R N 2.936 123.676 120.500 0.399 0.000 2.451 1297 R HA 0.363 4.679 4.340 -0.039 0.000 0.307 1297 R C -1.873 174.639 176.300 0.354 0.000 0.965 1297 R CA -0.780 55.530 56.100 0.350 0.000 0.865 1297 R CB 1.134 31.544 30.300 0.184 0.000 1.174 1297 R HN 0.737 nan 8.270 nan 0.000 0.455 1298 Y N 3.710 124.162 120.300 0.255 0.000 2.535 1298 Y HA 0.292 4.820 4.550 -0.037 0.000 0.349 1298 Y C -1.047 175.054 175.900 0.335 0.000 0.992 1298 Y CA -0.090 58.138 58.100 0.214 0.000 1.248 1298 Y CB 0.905 39.425 38.460 0.101 0.000 1.124 1298 Y HN 0.439 nan 8.280 nan 0.000 0.520 1299 S N 7.854 123.565 115.700 0.019 0.000 2.462 1299 S HA 0.675 5.121 4.470 -0.039 0.000 0.294 1299 S C -1.022 173.579 174.600 0.001 0.000 1.144 1299 S CA -0.575 57.685 58.200 0.101 0.000 1.088 1299 S CB 0.622 63.874 63.200 0.087 0.000 1.009 1299 S HN 0.620 nan 8.310 nan 0.000 0.484 1300 F N -0.736 119.088 119.950 -0.210 0.000 2.754 1300 F HA 1.001 5.505 4.527 -0.039 0.000 0.320 1300 F C 0.093 175.872 175.800 -0.035 0.000 1.156 1300 F CA -0.679 57.208 58.000 -0.189 0.000 0.950 1300 F CB 0.825 39.670 39.000 -0.258 0.000 1.388 1300 F HN 0.973 nan 8.300 nan 0.000 0.485 1301 G N 0.000 108.795 108.800 -0.009 0.000 5.446 1301 G HA2 0.000 3.937 3.960 -0.039 0.000 0.244 1301 G HA3 0.000 3.937 3.960 -0.039 0.000 0.244 1301 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 1301 G HN 0.000 nan 8.290 nan 0.000 0.925