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 1pjl_1_B DATA FIRST_RESID 1023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 1023 E HA 0.000 nan 4.350 nan 0.000 0.291 1023 E C 0.000 176.590 176.600 -0.016 0.000 1.382 1023 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 1023 E CB 0.000 29.694 29.700 -0.011 0.000 0.812 1024 K N 1.719 122.102 120.400 -0.028 0.000 2.213 1024 K HA 0.948 5.258 4.320 -0.017 0.000 0.254 1024 K C 0.655 177.219 176.600 -0.060 0.000 1.062 1024 K CA -0.521 55.739 56.287 -0.046 0.000 0.884 1024 K CB 0.828 33.299 32.500 -0.049 0.000 1.437 1024 K HN 0.849 nan 8.250 nan 0.000 0.464 1025 G N 0.859 109.606 108.800 -0.089 0.000 2.528 1025 G HA2 -0.373 3.577 3.960 -0.017 0.000 0.262 1025 G HA3 -0.373 3.577 3.960 -0.017 0.000 0.262 1025 G C 0.554 175.396 174.900 -0.096 0.000 1.200 1025 G CA 0.660 45.703 45.100 -0.094 0.000 0.951 1025 G HN 0.799 nan 8.290 nan 0.000 0.566 1026 K N 1.477 121.836 120.400 -0.069 0.000 2.097 1026 K HA 0.044 4.353 4.320 -0.017 0.000 0.206 1026 K C 0.097 176.677 176.600 -0.033 0.000 1.049 1026 K CA 2.303 58.559 56.287 -0.052 0.000 0.933 1026 K CB -0.962 31.515 32.500 -0.038 0.000 0.717 1026 K HN 0.347 nan 8.250 nan 0.000 0.442 1027 P HA -0.164 nan 4.420 nan 0.000 0.216 1027 P C 0.387 177.685 177.300 -0.004 0.000 1.150 1027 P CA 0.642 63.730 63.100 -0.019 0.000 0.843 1027 P CB 0.036 31.722 31.700 -0.023 0.000 0.787 1031 N N 2.223 120.928 118.700 0.010 0.000 2.437 1031 N HA 0.257 4.987 4.740 -0.017 0.000 0.259 1031 N C -1.850 173.659 175.510 -0.002 0.000 0.983 1031 N CA -1.489 51.556 53.050 -0.007 0.000 0.937 1031 N CB 2.130 40.614 38.487 -0.006 0.000 1.122 1031 N HN -0.057 nan 8.380 nan 0.000 0.499 1032 P HA -0.154 nan 4.420 nan 0.000 0.218 1032 P C 0.833 178.133 177.300 0.000 0.000 1.146 1032 P CA 1.247 64.330 63.100 -0.028 0.000 0.813 1032 P CB 0.500 32.157 31.700 -0.072 0.000 0.778 1033 R N -0.361 120.140 120.500 0.002 0.000 2.073 1033 R HA -0.018 4.311 4.340 -0.017 0.000 0.229 1033 R C 2.412 178.745 176.300 0.055 0.000 1.120 1033 R CA 2.071 58.193 56.100 0.037 0.000 0.967 1033 R CB -1.199 29.111 30.300 0.016 0.000 0.862 1033 R HN 0.358 nan 8.270 nan 0.000 0.436 1034 T N -1.318 113.260 114.554 0.039 0.000 3.010 1034 T HA -0.023 4.316 4.350 -0.017 0.000 0.252 1034 T C 1.060 175.765 174.700 0.008 0.000 1.047 1034 T CA -0.309 61.819 62.100 0.047 0.000 1.140 1034 T CB -0.361 68.555 68.868 0.080 0.000 0.885 1034 T HN 0.001 nan 8.240 nan 0.000 0.464 1035 N N 2.287 121.006 118.700 0.031 0.000 2.294 1035 N HA -0.038 4.691 4.740 -0.017 0.000 0.248 1035 N C 0.292 175.603 175.510 -0.332 0.000 1.242 1035 N CA 0.618 53.663 53.050 -0.008 0.000 0.848 1035 N CB 0.398 38.908 38.487 0.039 0.000 1.084 1035 N HN 0.427 nan 8.380 nan 0.000 0.457 1036 K N 1.598 121.545 120.400 -0.756 0.000 2.553 1036 K HA 0.199 4.509 4.320 -0.017 0.000 0.205 1036 K C 0.629 176.900 176.600 -0.548 0.000 1.168 1036 K CA 0.052 55.728 56.287 -1.018 0.000 1.043 1036 K CB 0.291 31.746 32.500 -1.741 0.000 0.967 1036 K HN 0.823 nan 8.250 nan 0.000 0.585 1040 F N 2.807 122.712 119.950 -0.075 0.000 2.533 1040 F HA 0.313 4.829 4.527 -0.018 0.000 0.378 1040 F C 1.674 177.452 175.800 -0.036 0.000 1.070 1040 F CA 1.323 59.275 58.000 -0.080 0.000 1.172 1040 F CB 0.906 39.865 39.000 -0.068 0.000 1.085 1040 F HN 0.264 nan 8.300 nan 0.000 0.552 1041 T N 3.422 118.080 114.554 0.173 0.000 2.855 1041 T HA -0.039 4.300 4.350 -0.017 0.000 0.314 1041 T C 1.161 175.916 174.700 0.092 0.000 1.077 1041 T CA -0.739 61.424 62.100 0.106 0.000 1.095 1041 T CB 0.742 69.656 68.868 0.076 0.000 0.987 1041 T HN 0.595 nan 8.240 nan 0.000 0.546 1042 L N 1.868 123.125 121.223 0.058 0.000 2.042 1042 L HA -0.012 4.317 4.340 -0.017 0.000 0.210 1042 L C 2.869 179.751 176.870 0.020 0.000 1.076 1042 L CA 2.183 57.043 54.840 0.034 0.000 0.749 1042 L CB -1.283 40.791 42.059 0.025 0.000 0.893 1042 L HN 0.966 nan 8.230 nan 0.000 0.432 1043 Q N -0.598 119.218 119.800 0.026 0.000 2.096 1043 Q HA -0.240 4.089 4.340 -0.017 0.000 0.204 1043 Q C 2.102 178.110 176.000 0.014 0.000 0.982 1043 Q CA 2.223 58.037 55.803 0.018 0.000 0.850 1043 Q CB -0.054 28.699 28.738 0.024 0.000 0.901 1043 Q HN 0.640 nan 8.270 nan 0.000 0.422 1044 E N -0.491 119.733 120.200 0.039 0.000 2.106 1044 E HA -0.167 4.173 4.350 -0.017 0.000 0.192 1044 E C 2.116 178.684 176.600 -0.052 0.000 0.984 1044 E CA 0.579 57.001 56.400 0.036 0.000 0.806 1044 E CB -0.012 29.780 29.700 0.154 0.000 0.750 1044 E HN 0.241 nan 8.360 nan 0.000 0.458 1045 R N 0.881 121.352 120.500 -0.048 0.000 2.070 1045 R HA -0.090 4.240 4.340 -0.017 0.000 0.233 1045 R C 1.288 177.527 176.300 -0.101 0.000 1.137 1045 R CA 1.081 57.110 56.100 -0.118 0.000 0.945 1045 R CB -0.047 30.221 30.300 -0.052 0.000 0.845 1045 R HN 0.159 nan 8.270 nan 0.000 0.430 1049 G N 1.782 110.517 108.800 -0.109 0.000 2.374 1049 G HA2 -0.258 3.691 3.960 -0.017 0.000 0.289 1049 G HA3 -0.258 3.691 3.960 -0.017 0.000 0.289 1049 G C 0.535 175.354 174.900 -0.134 0.000 1.004 1049 G CA 0.795 45.834 45.100 -0.101 0.000 1.292 1049 G HN 0.370 nan 8.290 nan 0.000 0.502 1050 L N -0.564 120.562 121.223 -0.161 0.000 3.128 1050 L HA 0.217 4.546 4.340 -0.017 0.000 0.277 1050 L C 1.444 178.235 176.870 -0.131 0.000 1.171 1050 L CA -0.415 54.306 54.840 -0.197 0.000 1.008 1050 L CB 0.065 41.898 42.059 -0.375 0.000 1.442 1050 L HN 0.328 nan 8.230 nan 0.000 0.584 1051 Q N 0.807 120.550 119.800 -0.096 0.000 2.349 1051 Q HA 0.098 4.428 4.340 -0.017 0.000 0.287 1051 Q C 1.272 177.244 176.000 -0.047 0.000 1.044 1051 Q CA 1.463 57.230 55.803 -0.059 0.000 0.918 1051 Q CB 0.836 29.547 28.738 -0.045 0.000 1.242 1051 Q HN 0.424 nan 8.270 nan 0.000 0.405 1052 G N 1.976 110.757 108.800 -0.031 0.000 2.417 1052 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.233 1052 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.233 1052 G C 0.797 175.683 174.900 -0.023 0.000 1.103 1052 G CA 0.410 45.496 45.100 -0.023 0.000 0.647 1052 G HN 0.564 nan 8.290 nan 0.000 0.512 1053 L N 0.337 121.538 121.223 -0.037 0.000 2.465 1053 L HA 0.345 4.675 4.340 -0.017 0.000 0.224 1053 L C 1.089 177.949 176.870 -0.017 0.000 1.145 1053 L CA 0.587 55.406 54.840 -0.035 0.000 0.834 1053 L CB -0.092 41.930 42.059 -0.062 0.000 0.944 1053 L HN 0.275 nan 8.230 nan 0.000 0.451 1054 L N -0.827 120.390 121.223 -0.010 0.000 2.381 1054 L HA 0.437 4.767 4.340 -0.017 0.000 0.268 1054 L C -2.154 174.730 176.870 0.023 0.000 0.997 1054 L CA -2.044 52.809 54.840 0.020 0.000 0.818 1054 L CB 1.986 44.070 42.059 0.043 0.000 1.310 1054 L HN -0.238 nan 8.230 nan 0.000 0.416 1055 P HA 0.002 nan 4.420 nan 0.000 0.267 1055 P C -2.192 175.125 177.300 0.029 0.000 1.195 1055 P CA -0.683 62.434 63.100 0.028 0.000 0.773 1055 P CB -0.114 31.606 31.700 0.034 0.000 0.837 1056 P HA -0.030 nan 4.420 nan 0.000 0.263 1056 P C 0.023 177.340 177.300 0.028 0.000 1.386 1056 P CA 0.906 64.019 63.100 0.022 0.000 0.797 1056 P CB 0.212 31.921 31.700 0.015 0.000 1.381 1057 K N 1.682 122.104 120.400 0.036 0.000 2.339 1057 K HA 0.269 4.579 4.320 -0.017 0.000 0.264 1057 K C -0.485 176.146 176.600 0.052 0.000 0.986 1057 K CA -0.916 55.395 56.287 0.040 0.000 0.866 1057 K CB 1.083 33.606 32.500 0.038 0.000 1.103 1057 K HN -0.077 nan 8.250 nan 0.000 0.441 1058 I N 3.780 124.380 120.570 0.051 0.000 2.322 1058 I HA 0.198 4.358 4.170 -0.017 0.000 0.292 1058 I C 0.744 176.896 176.117 0.058 0.000 1.060 1058 I CA -0.258 61.079 61.300 0.061 0.000 1.309 1058 I CB 0.556 38.590 38.000 0.057 0.000 1.415 1058 I HN 0.588 nan 8.210 nan 0.000 0.492 1059 E N 4.068 124.307 120.200 0.066 0.000 2.561 1059 E HA 0.506 4.846 4.350 -0.017 0.000 0.254 1059 E C -0.026 176.619 176.600 0.076 0.000 1.213 1059 E CA -0.325 56.115 56.400 0.067 0.000 0.995 1059 E CB 1.117 30.862 29.700 0.075 0.000 1.233 1059 E HN 0.714 nan 8.360 nan 0.000 0.556 1060 T N -2.268 112.330 114.554 0.074 0.000 2.906 1060 T HA 0.177 4.517 4.350 -0.017 0.000 0.295 1060 T C 0.688 175.428 174.700 0.068 0.000 1.061 1060 T CA -0.772 61.372 62.100 0.073 0.000 1.000 1060 T CB 1.596 70.489 68.868 0.041 0.000 1.103 1060 T HN 0.522 nan 8.240 nan 0.000 0.486 1061 Q N 0.588 120.411 119.800 0.037 0.000 2.096 1061 Q HA -0.258 4.072 4.340 -0.017 0.000 0.208 1061 Q C 1.298 177.281 176.000 -0.027 0.000 0.993 1061 Q CA 2.619 58.386 55.803 -0.061 0.000 0.862 1061 Q CB -0.250 28.305 28.738 -0.306 0.000 0.915 1061 Q HN 0.782 nan 8.270 nan 0.000 0.416 1062 D N 0.063 120.449 120.400 -0.023 0.000 2.133 1062 D HA -0.196 4.434 4.640 -0.017 0.000 0.195 1062 D C 1.862 178.182 176.300 0.034 0.000 0.997 1062 D CA 1.424 55.422 54.000 -0.003 0.000 0.840 1062 D CB -0.263 40.532 40.800 -0.009 0.000 0.947 1062 D HN 0.440 nan 8.370 nan 0.000 0.452 1063 I N 0.879 121.476 120.570 0.044 0.000 2.439 1063 I HA -0.223 3.937 4.170 -0.017 0.000 0.251 1063 I C 2.499 178.667 176.117 0.086 0.000 1.139 1063 I CA 0.709 62.046 61.300 0.061 0.000 1.438 1063 I CB -0.217 37.817 38.000 0.056 0.000 1.085 1063 I HN -0.027 nan 8.210 nan 0.000 0.427 1064 Q N 1.139 120.991 119.800 0.087 0.000 1.993 1064 Q HA -0.182 4.147 4.340 -0.017 0.000 0.202 1064 Q C 2.539 178.622 176.000 0.139 0.000 0.984 1064 Q CA 1.815 57.683 55.803 0.108 0.000 0.837 1064 Q CB -0.438 28.360 28.738 0.101 0.000 0.902 1064 Q HN 0.542 nan 8.270 nan 0.000 0.423 1065 A N 1.264 124.148 122.820 0.106 0.000 1.978 1065 A HA -0.173 4.136 4.320 -0.017 0.000 0.220 1065 A C 2.099 179.877 177.584 0.323 0.000 1.170 1065 A CA 1.281 53.410 52.037 0.153 0.000 0.636 1065 A CB -0.576 18.472 19.000 0.081 0.000 0.810 1065 A HN 0.357 nan 8.150 nan 0.000 0.448 1066 L N 0.194 121.546 121.223 0.215 0.000 2.056 1066 L HA -0.082 4.247 4.340 -0.017 0.000 0.207 1066 L C 2.319 179.320 176.870 0.219 0.000 1.078 1066 L CA 2.471 57.433 54.840 0.203 0.000 0.749 1066 L CB -0.730 41.392 42.059 0.105 0.000 0.901 1066 L HN 0.482 nan 8.230 nan 0.000 0.433 1067 R N -1.363 119.252 120.500 0.191 0.000 2.152 1067 R HA -0.222 4.108 4.340 -0.017 0.000 0.232 1067 R C 2.245 178.667 176.300 0.203 0.000 1.117 1067 R CA 1.671 57.868 56.100 0.162 0.000 0.981 1067 R CB -0.575 29.812 30.300 0.144 0.000 0.870 1067 R HN 0.493 nan 8.270 nan 0.000 0.451 1068 F N 0.647 120.669 119.950 0.120 0.000 2.128 1068 F HA -0.089 4.427 4.527 -0.017 0.000 0.295 1068 F C 1.702 177.533 175.800 0.052 0.000 1.100 1068 F CA 1.789 59.851 58.000 0.103 0.000 1.260 1068 F CB -0.159 38.803 39.000 -0.065 0.000 1.009 1068 F HN 0.084 nan 8.300 nan 0.000 0.476 1069 H N -0.298 118.925 119.070 0.256 0.000 2.276 1069 H HA -0.016 4.530 4.556 -0.017 0.000 0.301 1069 H C 2.251 177.570 175.328 -0.015 0.000 1.073 1069 H CA 1.904 58.017 56.048 0.108 0.000 1.311 1069 H CB -0.477 29.385 29.762 0.167 0.000 1.379 1069 H HN 0.041 nan 8.280 nan 0.000 0.494 1070 R N 0.370 120.960 120.500 0.150 0.000 2.244 1070 R HA -0.165 4.164 4.340 -0.017 0.000 0.252 1070 R C 1.707 177.993 176.300 -0.024 0.000 1.177 1070 R CA 1.421 57.554 56.100 0.056 0.000 1.004 1070 R CB -0.065 30.271 30.300 0.060 0.000 0.873 1070 R HN 0.452 nan 8.270 nan 0.000 0.469 1071 N N -0.658 117.990 118.700 -0.085 0.000 2.428 1071 N HA -0.071 4.659 4.740 -0.017 0.000 0.181 1071 N C 1.581 176.926 175.510 -0.276 0.000 1.028 1071 N CA 0.404 53.334 53.050 -0.199 0.000 0.877 1071 N CB 0.083 38.419 38.487 -0.253 0.000 1.064 1071 N HN 0.089 nan 8.380 nan 0.000 0.434 1072 L N 2.597 123.625 121.223 -0.324 0.000 2.127 1072 L HA -0.143 4.187 4.340 -0.017 0.000 0.211 1072 L C 2.210 179.002 176.870 -0.130 0.000 1.089 1072 L CA 1.569 56.245 54.840 -0.274 0.000 0.757 1072 L CB -0.204 41.629 42.059 -0.378 0.000 0.899 1072 L HN 0.017 nan 8.230 nan 0.000 0.434 1073 K N -0.155 120.195 120.400 -0.084 0.000 1.978 1073 K HA -0.175 4.134 4.320 -0.017 0.000 0.214 1073 K C 0.858 177.428 176.600 -0.051 0.000 1.049 1073 K CA 1.452 57.718 56.287 -0.035 0.000 0.939 1073 K CB -0.095 32.398 32.500 -0.011 0.000 0.721 1073 K HN 0.329 nan 8.250 nan 0.000 0.441 1077 S N 4.105 119.814 115.700 0.014 0.000 2.563 1077 S HA 0.254 4.714 4.470 -0.017 0.000 0.284 1077 S C -1.195 173.427 174.600 0.037 0.000 1.331 1077 S CA -0.398 57.815 58.200 0.022 0.000 1.047 1077 S CB 0.812 64.025 63.200 0.022 0.000 0.859 1077 S HN 0.355 nan 8.310 nan 0.000 0.514 1078 P HA -0.015 nan 4.420 nan 0.000 0.220 1078 P C 1.616 178.968 177.300 0.087 0.000 1.152 1078 P CA 0.452 63.586 63.100 0.056 0.000 0.812 1078 P CB -0.022 31.700 31.700 0.036 0.000 0.792 1079 L N 0.452 121.713 121.223 0.062 0.000 2.156 1079 L HA -0.061 4.269 4.340 -0.017 0.000 0.208 1079 L C 2.607 179.572 176.870 0.159 0.000 1.095 1079 L CA 1.673 56.559 54.840 0.077 0.000 0.770 1079 L CB -0.944 41.123 42.059 0.013 0.000 0.914 1079 L HN -0.120 nan 8.230 nan 0.000 0.439 1080 E N -0.218 120.048 120.200 0.112 0.000 2.023 1080 E HA -0.274 4.066 4.350 -0.017 0.000 0.196 1080 E C 2.009 178.707 176.600 0.164 0.000 1.003 1080 E CA 1.582 58.050 56.400 0.113 0.000 0.809 1080 E CB -0.049 29.685 29.700 0.056 0.000 0.755 1080 E HN 0.441 nan 8.360 nan 0.000 0.449 1081 K N -0.066 120.423 120.400 0.149 0.000 2.044 1081 K HA -0.253 4.057 4.320 -0.017 0.000 0.210 1081 K C 2.218 178.950 176.600 0.221 0.000 1.049 1081 K CA 1.729 58.121 56.287 0.174 0.000 0.927 1081 K CB -0.887 31.692 32.500 0.131 0.000 0.713 1081 K HN 0.320 nan 8.250 nan 0.000 0.443 1082 Y N 2.313 122.672 120.300 0.099 0.000 1.977 1082 Y HA -0.334 4.206 4.550 -0.017 0.000 0.264 1082 Y C 2.239 178.202 175.900 0.105 0.000 1.167 1082 Y CA 1.898 60.055 58.100 0.095 0.000 1.102 1082 Y CB -0.610 37.895 38.460 0.075 0.000 0.948 1082 Y HN -0.055 nan 8.280 nan 0.000 0.489 1083 I N -0.832 119.936 120.570 0.330 0.000 2.103 1083 I HA -0.446 3.714 4.170 -0.017 0.000 0.241 1083 I C 2.351 178.527 176.117 0.098 0.000 1.036 1083 I CA 2.236 63.648 61.300 0.185 0.000 1.300 1083 I CB -0.991 37.134 38.000 0.208 0.000 1.010 1083 I HN 0.408 nan 8.210 nan 0.000 0.406 1084 Y N 1.278 121.596 120.300 0.031 0.000 2.151 1084 Y HA -0.180 4.359 4.550 -0.017 0.000 0.284 1084 Y C 1.495 177.458 175.900 0.105 0.000 1.166 1084 Y CA 0.756 58.873 58.100 0.028 0.000 1.163 1084 Y CB -0.398 38.042 38.460 -0.032 0.000 0.974 1084 Y HN 0.084 nan 8.280 nan 0.000 0.511 1088 I N 2.376 122.880 120.570 -0.109 0.000 2.423 1088 I HA -0.184 3.975 4.170 -0.017 0.000 0.254 1088 I C 2.527 178.558 176.117 -0.143 0.000 1.151 1088 I CA 1.988 63.253 61.300 -0.059 0.000 1.421 1088 I CB -1.013 36.977 38.000 -0.018 0.000 1.079 1088 I HN 0.506 nan 8.210 nan 0.000 0.431 1089 Q N 1.193 120.746 119.800 -0.412 0.000 2.079 1089 Q HA -0.175 4.155 4.340 -0.017 0.000 0.200 1089 Q C 1.357 177.092 176.000 -0.441 0.000 0.974 1089 Q CA 1.311 56.592 55.803 -0.870 0.000 0.840 1089 Q CB 0.125 28.066 28.738 -1.328 0.000 0.898 1089 Q HN 0.351 nan 8.270 nan 0.000 0.430 1090 E N 0.166 120.187 120.200 -0.298 0.000 2.403 1090 E HA -0.021 4.318 4.350 -0.017 0.000 0.187 1090 E C 0.990 177.517 176.600 -0.122 0.000 1.073 1090 E CA 0.274 56.558 56.400 -0.194 0.000 0.888 1090 E CB 0.501 30.096 29.700 -0.176 0.000 1.035 1090 E HN 0.545 nan 8.360 nan 0.000 0.471 1091 R N -0.444 119.994 120.500 -0.103 0.000 2.576 1091 R HA 0.140 4.470 4.340 -0.017 0.000 0.237 1091 R C 0.214 176.504 176.300 -0.017 0.000 0.917 1091 R CA -0.047 56.026 56.100 -0.045 0.000 1.002 1091 R CB 0.619 30.905 30.300 -0.024 0.000 1.428 1091 R HN -0.120 nan 8.270 nan 0.000 0.603 1092 N N 1.140 119.830 118.700 -0.017 0.000 3.112 1092 N HA 0.052 4.781 4.740 -0.017 0.000 0.231 1092 N C -0.679 174.885 175.510 0.091 0.000 1.385 1092 N CA -0.161 52.916 53.050 0.043 0.000 0.790 1092 N CB 1.317 39.846 38.487 0.070 0.000 1.563 1092 N HN 0.256 nan 8.380 nan 0.000 0.613 1093 E N 2.030 122.291 120.200 0.101 0.000 1.969 1093 E HA -0.240 4.099 4.350 -0.017 0.000 0.222 1093 E C 0.905 177.741 176.600 0.395 0.000 0.996 1093 E CA 1.325 57.845 56.400 0.200 0.000 0.886 1093 E CB 0.098 29.928 29.700 0.217 0.000 0.810 1093 E HN 0.469 nan 8.360 nan 0.000 0.545 1094 K N -0.052 120.647 120.400 0.499 0.000 2.113 1094 K HA -0.313 3.997 4.320 -0.017 0.000 0.224 1094 K C 2.203 178.966 176.600 0.271 0.000 0.975 1094 K CA 2.092 58.662 56.287 0.472 0.000 0.973 1094 K CB -1.204 31.546 32.500 0.417 0.000 0.867 1094 K HN 0.189 nan 8.250 nan 0.000 0.470 1095 L N 0.663 122.001 121.223 0.192 0.000 1.963 1095 L HA -0.234 4.096 4.340 -0.017 0.000 0.220 1095 L C 2.420 179.286 176.870 -0.007 0.000 1.076 1095 L CA 2.084 56.947 54.840 0.039 0.000 0.772 1095 L CB -0.834 41.278 42.059 0.088 0.000 0.892 1095 L HN 0.305 nan 8.230 nan 0.000 0.435 1096 F N -0.684 119.173 119.950 -0.154 0.000 2.048 1096 F HA -0.413 4.104 4.527 -0.015 0.000 0.296 1096 F C 2.186 177.800 175.800 -0.311 0.000 1.109 1096 F CA 2.437 60.240 58.000 -0.329 0.000 1.214 1096 F CB -0.931 37.840 39.000 -0.382 0.000 0.963 1096 F HN 0.219 nan 8.300 nan 0.000 0.491 1097 Y N -0.039 120.275 120.300 0.022 0.000 2.114 1097 Y HA -0.273 4.265 4.550 -0.019 0.000 0.284 1097 Y C 2.713 178.534 175.900 -0.131 0.000 1.143 1097 Y CA 1.638 59.700 58.100 -0.062 0.000 1.135 1097 Y CB -0.651 37.994 38.460 0.308 0.000 0.980 1097 Y HN 0.116 nan 8.280 nan 0.000 0.499 1098 R N 1.138 121.687 120.500 0.080 0.000 2.136 1098 R HA -0.254 4.075 4.340 -0.017 0.000 0.242 1098 R C 1.861 178.093 176.300 -0.114 0.000 1.131 1098 R CA 2.444 58.512 56.100 -0.054 0.000 0.937 1098 R CB -1.395 28.824 30.300 -0.136 0.000 0.863 1098 R HN 0.443 nan 8.270 nan 0.000 0.435 1099 I N 0.082 120.522 120.570 -0.217 0.000 2.151 1099 I HA -0.299 3.860 4.170 -0.017 0.000 0.243 1099 I C 2.127 178.077 176.117 -0.278 0.000 1.080 1099 I CA 1.287 62.411 61.300 -0.293 0.000 1.339 1099 I CB -0.503 37.069 38.000 -0.714 0.000 1.039 1099 I HN 0.318 nan 8.210 nan 0.000 0.409 1100 L N 1.133 122.112 121.223 -0.407 0.000 1.925 1100 L HA -0.312 4.017 4.340 -0.017 0.000 0.232 1100 L C 2.434 179.228 176.870 -0.126 0.000 1.089 1100 L CA 2.135 56.770 54.840 -0.341 0.000 0.806 1100 L CB -1.368 40.452 42.059 -0.399 0.000 0.899 1100 L HN 0.347 nan 8.230 nan 0.000 0.435 1101 Q N -0.813 118.960 119.800 -0.045 0.000 2.458 1101 Q HA -0.249 4.080 4.340 -0.017 0.000 0.215 1101 Q C 1.690 177.671 176.000 -0.032 0.000 0.989 1101 Q CA 1.418 57.210 55.803 -0.019 0.000 0.895 1101 Q CB -0.505 28.238 28.738 0.008 0.000 0.934 1101 Q HN 0.604 nan 8.270 nan 0.000 0.475 1102 D N 1.214 121.590 120.400 -0.041 0.000 2.092 1102 D HA -0.139 4.490 4.640 -0.017 0.000 0.193 1102 D C 0.327 176.619 176.300 -0.014 0.000 0.994 1102 D CA 1.255 55.237 54.000 -0.030 0.000 0.828 1102 D CB 0.008 40.804 40.800 -0.007 0.000 0.963 1102 D HN 0.166 nan 8.370 nan 0.000 0.450 1103 D N -0.803 119.608 120.400 0.019 0.000 2.861 1103 D HA 0.051 4.681 4.640 -0.017 0.000 0.357 1103 D C 0.963 177.274 176.300 0.019 0.000 1.250 1103 D CA -0.367 53.656 54.000 0.039 0.000 0.802 1103 D CB -0.292 40.587 40.800 0.131 0.000 1.141 1103 D HN -0.017 nan 8.370 nan 0.000 0.489 1104 I N 0.818 121.383 120.570 -0.009 0.000 2.248 1104 I HA -0.171 3.988 4.170 -0.017 0.000 0.248 1104 I C 1.839 177.951 176.117 -0.008 0.000 1.107 1104 I CA 1.748 63.037 61.300 -0.019 0.000 1.373 1104 I CB -0.035 37.947 38.000 -0.030 0.000 1.055 1104 I HN 0.355 nan 8.210 nan 0.000 0.418 1105 E N -0.137 120.061 120.200 -0.003 0.000 2.031 1105 E HA -0.213 4.127 4.350 -0.017 0.000 0.193 1105 E C 2.152 178.767 176.600 0.025 0.000 0.994 1105 E CA 1.907 58.309 56.400 0.004 0.000 0.800 1105 E CB -0.104 29.600 29.700 0.007 0.000 0.752 1105 E HN 0.624 nan 8.360 nan 0.000 0.447 1106 S N 0.397 116.120 115.700 0.038 0.000 2.428 1106 S HA -0.035 4.425 4.470 -0.017 0.000 0.230 1106 S C 0.945 175.583 174.600 0.063 0.000 1.014 1106 S CA 0.197 58.430 58.200 0.055 0.000 0.957 1106 S CB 0.108 63.351 63.200 0.072 0.000 0.784 1106 S HN 0.080 nan 8.310 nan 0.000 0.499 1110 I N 0.575 121.230 120.570 0.141 0.000 2.400 1110 I HA -0.031 4.129 4.170 -0.017 0.000 0.248 1110 I C 2.108 178.407 176.117 0.303 0.000 1.109 1110 I CA 0.799 62.213 61.300 0.190 0.000 1.425 1110 I CB -0.344 37.751 38.000 0.158 0.000 1.094 1110 I HN -0.211 nan 8.210 nan 0.000 0.425 1111 V N -0.188 119.868 119.914 0.237 0.000 2.871 1111 V HA -0.147 3.962 4.120 -0.017 0.000 0.256 1111 V C 1.203 177.543 176.094 0.409 0.000 1.082 1111 V CA 1.284 63.741 62.300 0.262 0.000 1.105 1111 V CB -0.585 31.317 31.823 0.132 0.000 0.713 1111 V HN 0.317 nan 8.190 nan 0.000 0.473 1112 Y N 0.455 120.846 120.300 0.151 0.000 3.321 1112 Y HA 0.428 4.968 4.550 -0.017 0.000 0.273 1112 Y C 1.063 177.002 175.900 0.065 0.000 2.038 1112 Y CA -0.663 57.503 58.100 0.110 0.000 0.871 1112 Y CB 0.509 39.029 38.460 0.100 0.000 1.458 1112 Y HN 0.048 nan 8.280 nan 0.000 0.600 1113 T N 1.689 116.059 114.554 -0.308 0.000 2.913 1113 T HA 0.337 4.677 4.350 -0.017 0.000 0.297 1113 T C -2.421 172.240 174.700 -0.065 0.000 1.029 1113 T CA -1.454 60.469 62.100 -0.295 0.000 1.104 1113 T CB 1.262 69.924 68.868 -0.343 0.000 0.964 1113 T HN 0.362 nan 8.240 nan 0.000 0.532 1114 P HA 0.290 nan 4.420 nan 0.000 0.257 1114 P C 0.522 177.762 177.300 -0.099 0.000 1.737 1114 P CA -0.422 62.611 63.100 -0.111 0.000 1.130 1114 P CB 0.215 31.863 31.700 -0.086 0.000 1.572 1115 T N -2.102 112.405 114.554 -0.078 0.000 3.023 1115 T HA -0.020 4.320 4.350 -0.017 0.000 0.249 1115 T C 1.670 176.259 174.700 -0.185 0.000 1.050 1115 T CA 0.297 62.347 62.100 -0.082 0.000 1.088 1115 T CB -0.490 68.382 68.868 0.007 0.000 0.946 1115 T HN -0.055 nan 8.240 nan 0.000 0.480 1116 V N 2.500 122.311 119.914 -0.172 0.000 2.252 1116 V HA -0.146 3.963 4.120 -0.017 0.000 0.249 1116 V C 2.543 178.470 176.094 -0.278 0.000 1.056 1116 V CA 2.697 64.858 62.300 -0.232 0.000 1.022 1116 V CB -1.200 30.512 31.823 -0.186 0.000 0.641 1116 V HN 0.538 nan 8.190 nan 0.000 0.445 1117 G N -0.691 107.969 108.800 -0.233 0.000 2.469 1117 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.220 1117 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.220 1117 G C 1.647 176.448 174.900 -0.164 0.000 1.136 1117 G CA 1.186 46.174 45.100 -0.187 0.000 0.759 1117 G HN 0.546 nan 8.290 nan 0.000 0.562 1118 L N 0.312 121.431 121.223 -0.173 0.000 2.079 1118 L HA -0.061 4.268 4.340 -0.017 0.000 0.210 1118 L C 3.221 179.989 176.870 -0.170 0.000 1.081 1118 L CA 1.306 56.059 54.840 -0.145 0.000 0.752 1118 L CB -0.157 41.821 42.059 -0.134 0.000 0.896 1118 L HN 0.332 nan 8.230 nan 0.000 0.433 1119 A N -1.860 120.776 122.820 -0.306 0.000 2.021 1119 A HA -0.150 4.159 4.320 -0.017 0.000 0.216 1119 A C 2.263 179.732 177.584 -0.192 0.000 1.163 1119 A CA 1.119 52.948 52.037 -0.346 0.000 0.676 1119 A CB -0.867 17.585 19.000 -0.913 0.000 0.818 1119 A HN 0.565 nan 8.150 nan 0.000 0.453 1120 C N -1.297 117.859 119.300 -0.240 0.000 2.466 1120 C HA -0.018 4.431 4.460 -0.017 0.000 0.278 1120 C C 3.172 178.195 174.990 0.056 0.000 1.288 1120 C CA 1.249 60.125 59.018 -0.237 0.000 1.722 1120 C CB -1.069 26.544 27.740 -0.212 0.000 2.017 1120 C HN 0.579 nan 8.230 nan 0.000 0.488 1121 S N -0.136 115.590 115.700 0.042 0.000 2.399 1121 S HA -0.145 4.315 4.470 -0.017 0.000 0.231 1121 S C 1.905 176.622 174.600 0.195 0.000 1.022 1121 S CA 1.283 59.556 58.200 0.122 0.000 0.983 1121 S CB -0.227 62.979 63.200 0.010 0.000 0.803 1121 S HN 0.616 nan 8.310 nan 0.000 0.480 1122 Q N -0.647 119.217 119.800 0.106 0.000 2.319 1122 Q HA 0.172 4.502 4.340 -0.017 0.000 0.202 1122 Q C -0.427 175.658 176.000 0.142 0.000 0.896 1122 Q CA -0.123 55.741 55.803 0.103 0.000 0.942 1122 Q CB 0.005 28.769 28.738 0.044 0.000 1.083 1122 Q HN 0.491 nan 8.270 nan 0.000 0.510 1123 Y N 1.083 121.295 120.300 -0.147 0.000 2.890 1123 Y HA 0.007 4.547 4.550 -0.017 0.000 0.341 1123 Y C 1.753 177.329 175.900 -0.540 0.000 1.269 1123 Y CA 1.873 59.759 58.100 -0.357 0.000 1.517 1123 Y CB 0.201 38.352 38.460 -0.514 0.000 1.314 1123 Y HN 0.449 nan 8.280 nan 0.000 0.622 1124 G N 2.165 110.799 108.800 -0.277 0.000 2.480 1124 G HA2 -0.424 3.525 3.960 -0.017 0.000 0.246 1124 G HA3 -0.424 3.525 3.960 -0.017 0.000 0.246 1124 G C 1.122 175.980 174.900 -0.069 0.000 1.073 1124 G CA 1.020 46.031 45.100 -0.147 0.000 0.643 1124 G HN 0.764 nan 8.290 nan 0.000 0.525 1125 H N 0.574 119.555 119.070 -0.148 0.000 2.539 1125 H HA 0.467 5.012 4.556 -0.017 0.000 0.267 1125 H C 2.440 177.666 175.328 -0.171 0.000 0.982 1125 H CA 1.286 57.181 56.048 -0.254 0.000 1.146 1125 H CB 0.065 29.763 29.762 -0.107 0.000 1.382 1125 H HN 0.712 nan 8.280 nan 0.000 0.577 1126 I N -5.425 115.151 120.570 0.010 0.000 4.530 1126 I HA 0.168 4.327 4.170 -0.017 0.000 0.318 1126 I C 0.290 176.415 176.117 0.013 0.000 1.257 1126 I CA -0.485 60.827 61.300 0.020 0.000 1.301 1126 I CB 0.074 38.119 38.000 0.075 0.000 1.297 1126 I HN -0.152 nan 8.210 nan 0.000 0.451 1127 F N 3.643 123.476 119.950 -0.195 0.000 2.295 1127 F HA -0.264 4.252 4.527 -0.019 0.000 0.410 1127 F C 1.255 176.962 175.800 -0.155 0.000 0.891 1127 F CA 1.229 59.076 58.000 -0.255 0.000 1.125 1127 F CB 0.473 39.291 39.000 -0.303 0.000 0.860 1127 F HN 0.122 nan 8.300 nan 0.000 0.551 1128 R N 2.557 122.630 120.500 -0.713 0.000 2.663 1128 R HA 0.360 4.689 4.340 -0.017 0.000 0.199 1128 R C -0.484 175.554 176.300 -0.436 0.000 0.870 1128 R CA -0.362 55.550 56.100 -0.313 0.000 1.040 1128 R CB 0.596 30.779 30.300 -0.195 0.000 1.524 1128 R HN 0.590 nan 8.270 nan 0.000 0.643 1129 R N 0.477 120.459 120.500 -0.863 0.000 2.604 1129 R HA 0.336 4.665 4.340 -0.017 0.000 0.270 1129 R C -2.864 173.088 176.300 -0.581 0.000 1.052 1129 R CA -1.877 53.926 56.100 -0.495 0.000 0.902 1129 R CB 2.202 32.357 30.300 -0.242 0.000 1.233 1129 R HN -0.093 nan 8.270 nan 0.000 0.455 1130 P HA 0.131 nan 4.420 nan 0.000 0.270 1130 P C -0.292 177.036 177.300 0.047 0.000 1.223 1130 P CA -0.153 62.967 63.100 0.033 0.000 0.785 1130 P CB 0.760 32.557 31.700 0.162 0.000 0.923 1131 K N -0.402 120.112 120.400 0.190 0.000 2.521 1131 K HA 0.378 4.688 4.320 -0.017 0.000 0.213 1131 K C 0.610 177.320 176.600 0.182 0.000 1.223 1131 K CA 0.072 56.435 56.287 0.126 0.000 1.013 1131 K CB 1.014 33.544 32.500 0.050 0.000 1.017 1131 K HN 0.651 nan 8.250 nan 0.000 0.591 1132 G N -0.275 108.653 108.800 0.214 0.000 2.753 1132 G HA2 0.396 4.345 3.960 -0.017 0.000 0.303 1132 G HA3 0.396 4.345 3.960 -0.017 0.000 0.303 1132 G C -1.957 172.924 174.900 -0.032 0.000 1.242 1132 G CA -0.646 44.457 45.100 0.005 0.000 0.810 1132 G HN -0.057 nan 8.290 nan 0.000 0.515 1133 L N -0.416 120.552 121.223 -0.425 0.000 2.399 1133 L HA 0.800 5.129 4.340 -0.017 0.000 0.265 1133 L C -1.226 175.336 176.870 -0.513 0.000 1.089 1133 L CA -0.639 54.049 54.840 -0.253 0.000 0.802 1133 L CB 1.087 42.940 42.059 -0.343 0.000 1.180 1133 L HN 0.339 nan 8.230 nan 0.000 0.454 1134 F N 4.148 124.076 119.950 -0.036 0.000 2.716 1134 F HA 0.423 4.939 4.527 -0.020 0.000 0.354 1134 F C -0.317 175.450 175.800 -0.055 0.000 1.168 1134 F CA -0.315 57.654 58.000 -0.052 0.000 1.045 1134 F CB 0.768 39.758 39.000 -0.016 0.000 1.311 1134 F HN 0.120 nan 8.300 nan 0.000 0.477 1135 I N 2.843 123.414 120.570 0.002 0.000 2.377 1135 I HA 0.188 4.348 4.170 -0.017 0.000 0.282 1135 I C 0.551 176.659 176.117 -0.014 0.000 1.091 1135 I CA -0.318 60.973 61.300 -0.015 0.000 1.207 1135 I CB 0.534 38.473 38.000 -0.102 0.000 1.429 1135 I HN 0.552 nan 8.210 nan 0.000 0.491 1136 S N 4.760 120.482 115.700 0.037 0.000 2.600 1136 S HA 0.181 4.641 4.470 -0.017 0.000 0.265 1136 S C 1.139 175.758 174.600 0.030 0.000 1.325 1136 S CA -0.403 57.818 58.200 0.034 0.000 1.002 1136 S CB 1.068 64.293 63.200 0.042 0.000 0.921 1136 S HN 0.599 nan 8.310 nan 0.000 0.554 1137 I N 1.870 122.465 120.570 0.041 0.000 2.830 1137 I HA -0.009 4.151 4.170 -0.017 0.000 0.263 1137 I C 2.173 178.327 176.117 0.061 0.000 1.230 1137 I CA 1.080 62.412 61.300 0.052 0.000 1.480 1137 I CB -0.328 37.718 38.000 0.077 0.000 1.095 1137 I HN 0.739 nan 8.210 nan 0.000 0.455 1138 S N 0.133 115.866 115.700 0.056 0.000 2.481 1138 S HA -0.079 4.381 4.470 -0.017 0.000 0.231 1138 S C 1.158 175.794 174.600 0.060 0.000 0.996 1138 S CA 0.821 59.053 58.200 0.054 0.000 0.942 1138 S CB -0.285 62.939 63.200 0.039 0.000 0.768 1138 S HN 0.487 nan 8.310 nan 0.000 0.520 1139 D N 1.771 122.211 120.400 0.066 0.000 2.370 1139 D HA 0.042 4.672 4.640 -0.017 0.000 0.230 1139 D C 0.294 176.682 176.300 0.148 0.000 1.143 1139 D CA -0.022 54.033 54.000 0.093 0.000 0.834 1139 D CB -0.051 40.796 40.800 0.078 0.000 0.944 1139 D HN 0.528 nan 8.370 nan 0.000 0.504 1140 R N -0.437 120.139 120.500 0.127 0.000 2.458 1140 R HA 0.390 4.719 4.340 -0.017 0.000 0.303 1140 R C 1.083 177.457 176.300 0.124 0.000 1.013 1140 R CA 0.407 56.573 56.100 0.109 0.000 1.026 1140 R CB 0.119 30.468 30.300 0.083 0.000 0.948 1140 R HN -0.057 nan 8.270 nan 0.000 0.417 1141 G N 1.712 110.532 108.800 0.034 0.000 2.179 1141 G HA2 -0.233 3.716 3.960 -0.017 0.000 0.220 1141 G HA3 -0.233 3.716 3.960 -0.017 0.000 0.220 1141 G C 0.346 175.020 174.900 -0.377 0.000 0.990 1141 G CA 0.111 45.130 45.100 -0.135 0.000 0.646 1141 G HN 0.793 nan 8.290 nan 0.000 0.517 1142 H N -1.117 117.971 119.070 0.031 0.000 3.535 1142 H HA 0.237 4.782 4.556 -0.018 0.000 0.260 1142 H C 2.328 177.678 175.328 0.036 0.000 1.173 1142 H CA 0.494 56.560 56.048 0.030 0.000 1.168 1142 H CB 0.463 30.242 29.762 0.029 0.000 1.568 1142 H HN 0.203 nan 8.280 nan 0.000 0.602 1143 V N 1.858 121.849 119.914 0.128 0.000 2.277 1143 V HA -0.398 3.712 4.120 -0.017 0.000 0.255 1143 V C 2.831 178.981 176.094 0.093 0.000 1.074 1143 V CA 2.569 64.933 62.300 0.108 0.000 1.058 1143 V CB -0.510 31.376 31.823 0.104 0.000 0.656 1143 V HN 0.269 nan 8.190 nan 0.000 0.449 1144 R N 1.514 122.050 120.500 0.059 0.000 2.133 1144 R HA -0.250 4.080 4.340 -0.017 0.000 0.245 1144 R C 2.573 178.905 176.300 0.054 0.000 1.137 1144 R CA 2.676 58.797 56.100 0.034 0.000 0.947 1144 R CB -1.197 29.107 30.300 0.007 0.000 0.865 1144 R HN 0.718 nan 8.270 nan 0.000 0.437 1145 S N -0.514 115.232 115.700 0.076 0.000 2.359 1145 S HA -0.174 4.286 4.470 -0.017 0.000 0.224 1145 S C 2.087 176.743 174.600 0.093 0.000 1.035 1145 S CA 1.511 59.761 58.200 0.083 0.000 1.018 1145 S CB -0.580 62.687 63.200 0.112 0.000 0.876 1145 S HN 0.326 nan 8.310 nan 0.000 0.448 1146 I N 1.719 122.354 120.570 0.109 0.000 2.163 1146 I HA -0.133 4.027 4.170 -0.017 0.000 0.243 1146 I C 2.594 178.799 176.117 0.146 0.000 1.085 1146 I CA 0.997 62.370 61.300 0.121 0.000 1.347 1146 I CB -0.529 37.542 38.000 0.117 0.000 1.044 1146 I HN 0.192 nan 8.210 nan 0.000 0.408 1147 V N 0.739 120.731 119.914 0.130 0.000 2.231 1147 V HA -0.344 3.766 4.120 -0.017 0.000 0.248 1147 V C 1.850 178.053 176.094 0.181 0.000 1.054 1147 V CA 2.197 64.588 62.300 0.151 0.000 1.015 1147 V CB -0.968 30.913 31.823 0.097 0.000 0.638 1147 V HN 0.435 nan 8.190 nan 0.000 0.444 1148 D N 0.331 120.795 120.400 0.106 0.000 2.397 1148 D HA -0.165 4.464 4.640 -0.017 0.000 0.219 1148 D C 1.570 177.939 176.300 0.115 0.000 0.975 1148 D CA 0.886 54.935 54.000 0.081 0.000 0.940 1148 D CB -0.432 40.390 40.800 0.036 0.000 0.884 1148 D HN 0.434 nan 8.370 nan 0.000 0.505 1149 N N -0.497 118.299 118.700 0.161 0.000 2.373 1149 N HA -0.059 4.671 4.740 -0.017 0.000 0.181 1149 N C 0.039 175.660 175.510 0.186 0.000 1.082 1149 N CA -0.084 53.052 53.050 0.144 0.000 0.885 1149 N CB 0.067 38.636 38.487 0.137 0.000 0.977 1149 N HN 0.349 nan 8.380 nan 0.000 0.462 1150 W N 3.937 125.282 121.300 0.076 0.000 2.446 1150 W HA 0.088 4.747 4.660 -0.003 0.000 0.316 1150 W C -1.416 175.153 176.519 0.084 0.000 1.376 1150 W CA -1.351 56.043 57.345 0.082 0.000 1.300 1150 W CB 0.888 30.417 29.460 0.115 0.000 1.351 1150 W HN 0.089 nan 8.180 nan 0.000 0.530 1151 P HA -0.195 nan 4.420 nan 0.000 0.220 1151 P C 0.096 177.292 177.300 -0.174 0.000 1.144 1151 P CA 1.532 64.439 63.100 -0.321 0.000 0.800 1151 P CB 0.231 31.680 31.700 -0.419 0.000 0.772 1152 E N 0.355 120.467 120.200 -0.148 0.000 2.289 1152 E HA 0.111 4.451 4.350 -0.017 0.000 0.278 1152 E C 1.085 177.900 176.600 0.358 0.000 1.032 1152 E CA -0.179 56.309 56.400 0.148 0.000 0.854 1152 E CB 0.074 29.939 29.700 0.275 0.000 1.046 1152 E HN 0.150 nan 8.360 nan 0.000 0.409 1153 N N 1.266 120.133 118.700 0.279 0.000 2.409 1153 N HA -0.097 4.633 4.740 -0.017 0.000 0.174 1153 N C -0.098 175.702 175.510 0.483 0.000 1.037 1153 N CA 0.498 53.733 53.050 0.308 0.000 0.898 1153 N CB 0.292 38.867 38.487 0.146 0.000 1.010 1153 N HN 0.330 nan 8.380 nan 0.000 0.445 1154 H N 1.131 120.376 119.070 0.293 0.000 2.645 1154 H HA 0.382 4.927 4.556 -0.019 0.000 0.257 1154 H C -1.157 174.212 175.328 0.068 0.000 1.269 1154 H CA -0.553 55.635 56.048 0.235 0.000 1.409 1154 H CB -0.169 29.665 29.762 0.119 0.000 1.434 1154 H HN -0.303 nan 8.280 nan 0.000 0.505 1155 V N 4.907 124.803 119.914 -0.031 0.000 2.539 1155 V HA 0.254 4.364 4.120 -0.017 0.000 0.292 1155 V C 0.716 176.620 176.094 -0.316 0.000 1.045 1155 V CA -0.323 61.672 62.300 -0.508 0.000 0.945 1155 V CB 1.755 32.784 31.823 -1.324 0.000 0.993 1155 V HN 0.627 nan 8.190 nan 0.000 0.464 1156 K N 2.441 122.664 120.400 -0.296 0.000 2.502 1156 K HA 0.423 4.733 4.320 -0.017 0.000 0.211 1156 K C 0.063 176.564 176.600 -0.166 0.000 1.259 1156 K CA 0.318 56.484 56.287 -0.200 0.000 0.983 1156 K CB 1.649 34.021 32.500 -0.214 0.000 1.054 1156 K HN 0.644 nan 8.250 nan 0.000 0.572 1157 A N 1.322 124.008 122.820 -0.223 0.000 2.356 1157 A HA 0.687 4.996 4.320 -0.017 0.000 0.310 1157 A C -0.795 176.601 177.584 -0.314 0.000 1.075 1157 A CA -0.516 51.394 52.037 -0.211 0.000 0.746 1157 A CB 1.560 20.427 19.000 -0.222 0.000 1.221 1157 A HN -0.113 nan 8.150 nan 0.000 0.443 1158 V N 2.005 121.755 119.914 -0.274 0.000 2.876 1158 V HA 0.664 4.774 4.120 -0.017 0.000 0.312 1158 V C -0.691 175.218 176.094 -0.308 0.000 1.085 1158 V CA -0.557 61.560 62.300 -0.306 0.000 0.945 1158 V CB 2.026 33.710 31.823 -0.231 0.000 1.017 1158 V HN 0.732 nan 8.190 nan 0.000 0.428 1159 V N 3.942 123.645 119.914 -0.352 0.000 2.638 1159 V HA 0.734 4.844 4.120 -0.017 0.000 0.306 1159 V C -0.790 175.087 176.094 -0.363 0.000 1.052 1159 V CA -0.528 61.566 62.300 -0.343 0.000 0.885 1159 V CB 2.189 33.793 31.823 -0.365 0.000 0.999 1159 V HN 0.713 nan 8.190 nan 0.000 0.424 1160 V N 1.764 121.448 119.914 -0.385 0.000 2.925 1160 V HA 0.952 5.062 4.120 -0.017 0.000 0.311 1160 V C -0.420 175.481 176.094 -0.323 0.000 1.104 1160 V CA -0.552 61.472 62.300 -0.459 0.000 0.954 1160 V CB 1.891 33.311 31.823 -0.672 0.000 1.022 1160 V HN 0.924 nan 8.190 nan 0.000 0.427 1161 T N 0.326 114.613 114.554 -0.445 0.000 2.885 1161 T HA 0.414 4.753 4.350 -0.017 0.000 0.322 1161 T C -1.112 173.091 174.700 -0.828 0.000 1.387 1161 T CA 0.091 61.741 62.100 -0.750 0.000 1.041 1161 T CB 2.104 70.690 68.868 -0.469 0.000 1.287 1161 T HN 1.045 nan 8.240 nan 0.000 0.491 1162 D N 1.182 120.863 120.400 -1.199 0.000 2.463 1162 D HA 0.216 4.845 4.640 -0.017 0.000 0.224 1162 D C 1.393 177.505 176.300 -0.313 0.000 1.174 1162 D CA 0.433 54.099 54.000 -0.557 0.000 0.829 1162 D CB -0.483 40.142 40.800 -0.291 0.000 0.993 1162 D HN 1.195 nan 8.370 nan 0.000 0.497 1163 G N 1.334 109.942 108.800 -0.320 0.000 2.380 1163 G HA2 -0.405 3.545 3.960 -0.017 0.000 0.298 1163 G HA3 -0.405 3.545 3.960 -0.017 0.000 0.298 1163 G C 0.724 175.560 174.900 -0.107 0.000 0.989 1163 G CA 0.962 45.964 45.100 -0.164 0.000 0.836 1163 G HN 0.503 nan 8.290 nan 0.000 0.511 1164 E N -0.903 119.223 120.200 -0.123 0.000 2.140 1164 E HA 0.127 4.466 4.350 -0.017 0.000 0.191 1164 E C 1.647 178.222 176.600 -0.041 0.000 0.973 1164 E CA 0.210 56.577 56.400 -0.055 0.000 0.829 1164 E CB 0.176 29.866 29.700 -0.015 0.000 0.781 1164 E HN 0.435 nan 8.360 nan 0.000 0.466 1165 R N 0.871 121.340 120.500 -0.051 0.000 2.655 1165 R HA 0.217 4.547 4.340 -0.017 0.000 0.261 1165 R C -1.144 175.127 176.300 -0.048 0.000 1.624 1165 R CA -0.319 55.763 56.100 -0.030 0.000 1.655 1165 R CB 0.753 31.057 30.300 0.007 0.000 1.356 1165 R HN 0.043 nan 8.270 nan 0.000 0.684 1166 I N 4.164 124.694 120.570 -0.067 0.000 2.293 1166 I HA 0.118 4.277 4.170 -0.017 0.000 0.299 1166 I C 0.865 176.937 176.117 -0.076 0.000 1.153 1166 I CA 0.507 61.758 61.300 -0.081 0.000 1.302 1166 I CB -0.894 37.051 38.000 -0.092 0.000 1.460 1166 I HN 0.570 nan 8.210 nan 0.000 0.552 1167 L N 3.593 124.776 121.223 -0.067 0.000 5.699 1167 L HA -0.244 4.086 4.340 -0.017 0.000 0.276 1167 L C 1.400 178.237 176.870 -0.055 0.000 1.125 1167 L CA 0.725 55.523 54.840 -0.069 0.000 1.287 1167 L CB -1.125 40.871 42.059 -0.105 0.000 2.083 1167 L HN 0.594 nan 8.230 nan 0.000 0.864 1168 G N -0.499 108.268 108.800 -0.055 0.000 3.135 1168 G HA2 0.255 4.205 3.960 -0.017 0.000 0.208 1168 G HA3 0.255 4.205 3.960 -0.017 0.000 0.208 1168 G C 0.787 175.660 174.900 -0.046 0.000 1.212 1168 G CA 0.346 45.419 45.100 -0.045 0.000 0.928 1168 G HN 0.278 nan 8.290 nan 0.000 0.500 1169 L N -0.498 120.694 121.223 -0.052 0.000 2.470 1169 L HA 0.401 4.731 4.340 -0.017 0.000 0.219 1169 L C 1.687 178.529 176.870 -0.046 0.000 1.071 1169 L CA 1.169 55.978 54.840 -0.051 0.000 0.850 1169 L CB -0.466 41.558 42.059 -0.058 0.000 1.040 1169 L HN 0.396 nan 8.230 nan 0.000 0.475 1170 G N -0.567 108.207 108.800 -0.043 0.000 2.782 1170 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.228 1170 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.228 1170 G C -0.327 174.545 174.900 -0.047 0.000 1.372 1170 G CA -0.337 44.740 45.100 -0.039 0.000 0.862 1170 G HN 0.124 nan 8.290 nan 0.000 0.547 1171 D N 0.089 120.462 120.400 -0.045 0.000 2.819 1171 D HA -0.005 4.624 4.640 -0.017 0.000 0.236 1171 D C 1.356 177.618 176.300 -0.063 0.000 1.181 1171 D CA 0.635 54.604 54.000 -0.051 0.000 0.855 1171 D CB 0.091 40.860 40.800 -0.051 0.000 1.146 1171 D HN 0.349 nan 8.370 nan 0.000 0.540 1172 L N 3.067 124.263 121.223 -0.046 0.000 2.766 1172 L HA 0.175 4.505 4.340 -0.017 0.000 0.242 1172 L C 1.473 178.367 176.870 0.039 0.000 1.136 1172 L CA 0.510 55.334 54.840 -0.028 0.000 0.933 1172 L CB 0.008 42.070 42.059 0.004 0.000 1.241 1172 L HN 0.730 nan 8.230 nan 0.000 0.522 1173 G N 0.846 109.678 108.800 0.055 0.000 2.552 1173 G HA2 -0.360 3.590 3.960 -0.017 0.000 0.265 1173 G HA3 -0.360 3.590 3.960 -0.017 0.000 0.265 1173 G C 0.581 175.622 174.900 0.236 0.000 1.234 1173 G CA 0.266 45.482 45.100 0.193 0.000 0.944 1173 G HN 0.256 nan 8.290 nan 0.000 0.568 1174 V N -2.011 118.107 119.914 0.339 0.000 3.592 1174 V HA 0.311 4.420 4.120 -0.017 0.000 0.272 1174 V C 1.828 178.203 176.094 0.467 0.000 1.228 1174 V CA 1.998 64.475 62.300 0.295 0.000 1.173 1174 V CB -1.047 30.910 31.823 0.223 0.000 0.873 1174 V HN 0.671 nan 8.190 nan 0.000 0.476 1175 Y N 1.570 122.002 120.300 0.220 0.000 2.519 1175 Y HA 0.368 4.908 4.550 -0.017 0.000 0.287 1175 Y C 2.089 177.917 175.900 -0.121 0.000 1.128 1175 Y CA -0.048 58.180 58.100 0.213 0.000 1.282 1175 Y CB 0.237 38.819 38.460 0.203 0.000 1.027 1175 Y HN 0.499 nan 8.280 nan 0.000 0.551 1179 I N 1.834 122.336 120.570 -0.112 0.000 2.162 1179 I HA 0.003 4.162 4.170 -0.017 0.000 0.238 1179 I C -0.194 175.925 176.117 0.003 0.000 1.076 1179 I CA 1.272 62.574 61.300 0.004 0.000 1.353 1179 I CB -1.732 36.240 38.000 -0.046 0.000 1.063 1179 I HN 0.006 nan 8.210 nan 0.000 0.408 1180 P HA -0.100 nan 4.420 nan 0.000 0.215 1180 P C 2.248 179.455 177.300 -0.155 0.000 1.157 1180 P CA 1.187 64.180 63.100 -0.178 0.000 0.868 1180 P CB -0.031 31.516 31.700 -0.255 0.000 0.788 1181 V N 0.381 120.227 119.914 -0.112 0.000 2.215 1181 V HA -0.298 3.812 4.120 -0.017 0.000 0.249 1181 V C 2.637 178.718 176.094 -0.021 0.000 1.054 1181 V CA 2.777 65.037 62.300 -0.067 0.000 1.012 1181 V CB -2.008 29.816 31.823 0.001 0.000 0.639 1181 V HN 0.201 nan 8.190 nan 0.000 0.448 1182 G N -0.706 108.134 108.800 0.065 0.000 2.553 1182 G HA2 -0.425 3.525 3.960 -0.017 0.000 0.218 1182 G HA3 -0.425 3.525 3.960 -0.017 0.000 0.218 1182 G C 1.591 176.455 174.900 -0.060 0.000 1.195 1182 G CA 1.595 46.772 45.100 0.129 0.000 0.779 1182 G HN 0.502 nan 8.290 nan 0.000 0.577 1183 K N -0.617 119.685 120.400 -0.163 0.000 2.034 1183 K HA -0.133 4.177 4.320 -0.017 0.000 0.214 1183 K C 2.474 179.032 176.600 -0.070 0.000 1.051 1183 K CA 1.339 57.440 56.287 -0.309 0.000 0.931 1183 K CB -0.434 31.914 32.500 -0.253 0.000 0.715 1183 K HN 0.187 nan 8.250 nan 0.000 0.446 1184 L N 1.002 122.143 121.223 -0.136 0.000 2.081 1184 L HA -0.277 4.053 4.340 -0.017 0.000 0.212 1184 L C 2.380 179.287 176.870 0.063 0.000 1.080 1184 L CA 1.564 56.298 54.840 -0.176 0.000 0.754 1184 L CB -1.180 40.725 42.059 -0.257 0.000 0.893 1184 L HN 0.434 nan 8.230 nan 0.000 0.433 1185 C N -0.954 118.415 119.300 0.115 0.000 2.403 1185 C HA -0.200 4.250 4.460 -0.017 0.000 0.277 1185 C C 2.746 177.911 174.990 0.292 0.000 1.248 1185 C CA 0.628 59.822 59.018 0.293 0.000 1.762 1185 C CB -1.162 26.724 27.740 0.243 0.000 2.014 1185 C HN 0.484 nan 8.230 nan 0.000 0.486 1186 L N -1.632 119.708 121.223 0.195 0.000 2.095 1186 L HA -0.051 4.279 4.340 -0.017 0.000 0.204 1186 L C 2.478 179.484 176.870 0.226 0.000 1.080 1186 L CA 1.237 56.182 54.840 0.175 0.000 0.759 1186 L CB -0.889 41.253 42.059 0.139 0.000 0.914 1186 L HN 0.187 nan 8.230 nan 0.000 0.439 1187 Y N 1.260 121.646 120.300 0.143 0.000 2.062 1187 Y HA -0.362 4.178 4.550 -0.016 0.000 0.276 1187 Y C 2.845 178.748 175.900 0.004 0.000 1.189 1187 Y CA 2.240 60.411 58.100 0.118 0.000 1.130 1187 Y CB -1.104 37.385 38.460 0.048 0.000 0.959 1187 Y HN 0.207 nan 8.280 nan 0.000 0.499 1188 T N -0.441 114.198 114.554 0.142 0.000 2.590 1188 T HA -0.194 4.146 4.350 -0.017 0.000 0.257 1188 T C 2.191 176.867 174.700 -0.040 0.000 1.080 1188 T CA 1.473 63.525 62.100 -0.080 0.000 1.180 1188 T CB -1.111 67.519 68.868 -0.396 0.000 0.865 1188 T HN 0.390 nan 8.240 nan 0.000 0.403 1189 A N 0.272 123.121 122.820 0.048 0.000 2.042 1189 A HA -0.167 4.143 4.320 -0.017 0.000 0.222 1189 A C 2.536 180.138 177.584 0.031 0.000 1.167 1189 A CA 1.912 54.013 52.037 0.105 0.000 0.649 1189 A CB -1.301 17.812 19.000 0.189 0.000 0.809 1189 A HN 0.710 nan 8.150 nan 0.000 0.457 1190 C N -2.860 116.442 119.300 0.004 0.000 2.487 1190 C HA 0.523 4.973 4.460 -0.017 0.000 0.311 1190 C C 3.065 178.013 174.990 -0.071 0.000 1.367 1190 C CA 0.300 59.281 59.018 -0.060 0.000 1.865 1190 C CB -0.523 27.141 27.740 -0.126 0.000 2.277 1190 C HN 0.698 nan 8.230 nan 0.000 0.521 1191 A N -0.167 122.620 122.820 -0.055 0.000 1.973 1191 A HA 0.496 4.806 4.320 -0.017 0.000 0.210 1191 A C 1.533 179.103 177.584 -0.024 0.000 1.200 1191 A CA 1.321 53.323 52.037 -0.058 0.000 0.707 1191 A CB -0.563 18.395 19.000 -0.071 0.000 0.862 1191 A HN 1.344 nan 8.150 nan 0.000 0.461 1192 G N -0.637 108.166 108.800 0.004 0.000 2.455 1192 G HA2 -0.083 3.866 3.960 -0.017 0.000 0.169 1192 G HA3 -0.083 3.866 3.960 -0.017 0.000 0.169 1192 G C -0.341 174.585 174.900 0.045 0.000 1.074 1192 G CA -0.099 45.030 45.100 0.049 0.000 0.796 1192 G HN 0.338 nan 8.290 nan 0.000 0.489 1193 I N 0.955 121.517 120.570 -0.014 0.000 2.359 1193 I HA 0.372 4.532 4.170 -0.017 0.000 0.294 1193 I C 1.171 177.150 176.117 -0.229 0.000 0.987 1193 I CA -0.949 60.314 61.300 -0.061 0.000 1.225 1193 I CB 0.986 38.986 38.000 -0.000 0.000 1.366 1193 I HN 0.078 nan 8.210 nan 0.000 0.466 1194 R N 7.359 127.721 120.500 -0.229 0.000 2.473 1194 R HA 0.001 4.330 4.340 -0.017 0.000 0.315 1194 R C -1.645 174.375 176.300 -0.467 0.000 0.972 1194 R CA -1.030 54.809 56.100 -0.435 0.000 1.047 1194 R CB 0.123 30.311 30.300 -0.187 0.000 0.932 1194 R HN 0.380 nan 8.270 nan 0.000 0.411 1195 P HA -0.211 nan 4.420 nan 0.000 0.215 1195 P C 0.360 177.517 177.300 -0.239 0.000 1.163 1195 P CA 1.354 64.183 63.100 -0.451 0.000 0.894 1195 P CB 0.139 31.523 31.700 -0.527 0.000 0.791 1196 D N -0.795 119.487 120.400 -0.197 0.000 2.311 1196 D HA -0.159 4.471 4.640 -0.017 0.000 0.212 1196 D C 1.501 177.768 176.300 -0.055 0.000 0.972 1196 D CA 0.841 54.801 54.000 -0.067 0.000 0.887 1196 D CB -0.566 40.210 40.800 -0.040 0.000 0.915 1196 D HN 0.327 nan 8.370 nan 0.000 0.497 1197 R N -0.176 120.233 120.500 -0.150 0.000 2.317 1197 R HA 0.161 4.490 4.340 -0.017 0.000 0.208 1197 R C 0.153 176.304 176.300 -0.248 0.000 0.914 1197 R CA -0.023 55.957 56.100 -0.199 0.000 1.060 1197 R CB 0.216 30.375 30.300 -0.234 0.000 1.015 1197 R HN 0.147 nan 8.270 nan 0.000 0.498 1198 C N 1.547 120.708 119.300 -0.232 0.000 2.376 1198 C HA 0.616 5.066 4.460 -0.017 0.000 0.335 1198 C C -0.151 174.657 174.990 -0.304 0.000 1.229 1198 C CA -1.118 57.723 59.018 -0.295 0.000 1.867 1198 C CB 0.933 28.492 27.740 -0.302 0.000 2.319 1198 C HN 0.312 nan 8.230 nan 0.000 0.515 1199 L N 5.345 126.306 121.223 -0.437 0.000 2.441 1199 L HA 0.671 5.000 4.340 -0.017 0.000 0.270 1199 L C -2.883 173.659 176.870 -0.548 0.000 0.973 1199 L CA -1.438 53.039 54.840 -0.604 0.000 0.842 1199 L CB 1.889 43.423 42.059 -0.874 0.000 1.239 1199 L HN 0.405 nan 8.230 nan 0.000 0.406 1200 P HA 0.490 nan 4.420 nan 0.000 0.294 1200 P C -1.384 175.617 177.300 -0.498 0.000 1.294 1200 P CA -0.399 62.444 63.100 -0.428 0.000 0.827 1200 P CB 1.873 33.383 31.700 -0.316 0.000 0.992 1201 V N 2.495 122.124 119.914 -0.475 0.000 2.876 1201 V HA 0.572 4.681 4.120 -0.017 0.000 0.312 1201 V C -0.276 175.509 176.094 -0.516 0.000 1.085 1201 V CA -0.587 61.398 62.300 -0.524 0.000 0.945 1201 V CB 2.393 33.906 31.823 -0.517 0.000 1.017 1201 V HN 0.772 nan 8.190 nan 0.000 0.428 1202 C N 4.891 123.864 119.300 -0.545 0.000 2.626 1202 C HA 0.766 5.216 4.460 -0.017 0.000 0.310 1202 C C -0.766 174.018 174.990 -0.344 0.000 1.191 1202 C CA -0.390 58.369 59.018 -0.432 0.000 1.517 1202 C CB 0.652 28.155 27.740 -0.394 0.000 2.102 1202 C HN 0.855 nan 8.230 nan 0.000 0.479 1203 I N 4.906 125.309 120.570 -0.279 0.000 2.437 1203 I HA 0.245 4.405 4.170 -0.017 0.000 0.279 1203 I C -0.451 175.620 176.117 -0.076 0.000 1.028 1203 I CA -0.010 61.169 61.300 -0.201 0.000 1.142 1203 I CB 0.887 38.721 38.000 -0.278 0.000 1.266 1203 I HN 0.646 nan 8.210 nan 0.000 0.461 1204 D N 6.615 127.013 120.400 -0.003 0.000 2.358 1204 D HA 0.131 4.761 4.640 -0.017 0.000 0.258 1204 D C 0.429 176.766 176.300 0.062 0.000 1.223 1204 D CA 0.110 54.139 54.000 0.049 0.000 0.886 1204 D CB 1.416 42.257 40.800 0.067 0.000 1.120 1204 D HN 0.352 nan 8.370 nan 0.000 0.482 1205 V N 1.743 121.715 119.914 0.097 0.000 2.991 1205 V HA 0.555 4.665 4.120 -0.017 0.000 0.355 1205 V C 0.896 177.067 176.094 0.128 0.000 1.384 1205 V CA -0.043 62.339 62.300 0.136 0.000 1.171 1205 V CB -0.207 31.762 31.823 0.244 0.000 1.190 1205 V HN 0.764 nan 8.190 nan 0.000 0.540 1206 G N 0.256 109.123 108.800 0.111 0.000 2.660 1206 G HA2 0.164 4.114 3.960 -0.017 0.000 0.247 1206 G HA3 0.164 4.114 3.960 -0.017 0.000 0.247 1206 G C -0.319 174.630 174.900 0.081 0.000 1.328 1206 G CA 0.158 45.319 45.100 0.101 0.000 0.884 1206 G HN 1.409 nan 8.290 nan 0.000 0.531 1207 T N -1.626 112.948 114.554 0.034 0.000 3.012 1207 T HA 0.552 4.892 4.350 -0.017 0.000 0.330 1207 T C -0.316 174.354 174.700 -0.049 0.000 1.321 1207 T CA 0.549 62.637 62.100 -0.021 0.000 1.067 1207 T CB 1.795 70.606 68.868 -0.095 0.000 1.235 1207 T HN 0.488 nan 8.240 nan 0.000 0.479 1208 D N 2.010 122.381 120.400 -0.049 0.000 2.350 1208 D HA 0.168 4.797 4.640 -0.017 0.000 0.213 1208 D C 0.401 176.660 176.300 -0.067 0.000 1.031 1208 D CA 0.214 54.186 54.000 -0.047 0.000 0.861 1208 D CB 0.238 41.019 40.800 -0.031 0.000 0.926 1208 D HN 0.458 nan 8.370 nan 0.000 0.520 1209 N N 1.313 119.952 118.700 -0.102 0.000 2.411 1209 N HA -0.014 4.716 4.740 -0.017 0.000 0.259 1209 N C 1.069 176.495 175.510 -0.140 0.000 1.103 1209 N CA -0.215 52.765 53.050 -0.116 0.000 0.954 1209 N CB 0.461 38.863 38.487 -0.141 0.000 1.085 1209 N HN -0.185 nan 8.380 nan 0.000 0.485 1210 I N 3.192 123.703 120.570 -0.097 0.000 2.076 1210 I HA -0.240 3.920 4.170 -0.017 0.000 0.237 1210 I C 2.331 178.388 176.117 -0.100 0.000 1.059 1210 I CA 1.333 62.582 61.300 -0.085 0.000 1.317 1210 I CB -2.179 35.789 38.000 -0.054 0.000 1.037 1210 I HN 0.625 nan 8.210 nan 0.000 0.398 1211 A N 1.487 124.255 122.820 -0.087 0.000 1.944 1211 A HA -0.262 4.047 4.320 -0.017 0.000 0.222 1211 A C 2.456 179.982 177.584 -0.096 0.000 1.237 1211 A CA 2.412 54.405 52.037 -0.073 0.000 0.668 1211 A CB -1.271 17.687 19.000 -0.070 0.000 0.830 1211 A HN 0.511 nan 8.150 nan 0.000 0.471 1212 L N -1.267 119.826 121.223 -0.218 0.000 2.046 1212 L HA -0.156 4.174 4.340 -0.017 0.000 0.208 1212 L C 2.318 179.007 176.870 -0.300 0.000 1.077 1212 L CA 1.167 55.770 54.840 -0.394 0.000 0.747 1212 L CB -0.581 41.003 42.059 -0.792 0.000 0.896 1212 L HN 0.384 nan 8.230 nan 0.000 0.432 1213 L N -0.073 121.013 121.223 -0.228 0.000 2.642 1213 L HA -0.161 4.168 4.340 -0.017 0.000 0.236 1213 L C 1.628 178.519 176.870 0.035 0.000 1.169 1213 L CA 1.077 55.909 54.840 -0.012 0.000 0.851 1213 L CB -0.347 41.686 42.059 -0.044 0.000 0.968 1213 L HN 0.315 nan 8.230 nan 0.000 0.453 1214 K N -2.272 118.140 120.400 0.021 0.000 2.438 1214 K HA 0.158 4.468 4.320 -0.017 0.000 0.206 1214 K C -0.043 176.601 176.600 0.073 0.000 1.081 1214 K CA -0.316 55.973 56.287 0.003 0.000 1.053 1214 K CB 0.480 32.974 32.500 -0.009 0.000 0.908 1214 K HN -0.110 nan 8.250 nan 0.000 0.556 1215 D N 3.168 123.681 120.400 0.188 0.000 2.336 1215 D HA 0.076 4.705 4.640 -0.017 0.000 0.249 1215 D C -1.440 175.066 176.300 0.343 0.000 1.213 1215 D CA -2.385 51.802 54.000 0.312 0.000 0.870 1215 D CB 1.355 42.398 40.800 0.405 0.000 1.076 1215 D HN -0.068 nan 8.370 nan 0.000 0.483 1216 P HA -0.116 nan 4.420 nan 0.000 0.223 1216 P C 0.845 178.034 177.300 -0.186 0.000 1.144 1216 P CA 0.873 63.885 63.100 -0.147 0.000 0.783 1216 P CB 0.042 31.484 31.700 -0.429 0.000 0.771 1217 F N -2.815 117.275 119.950 0.233 0.000 2.714 1217 F HA 0.175 4.691 4.527 -0.018 0.000 0.294 1217 F C 1.777 177.739 175.800 0.270 0.000 1.120 1217 F CA -0.815 57.283 58.000 0.163 0.000 1.398 1217 F CB -1.068 37.965 39.000 0.056 0.000 1.120 1217 F HN -0.185 nan 8.300 nan 0.000 0.589 1221 L N 1.611 122.818 121.223 -0.027 0.000 2.363 1221 L HA 0.339 4.669 4.340 -0.017 0.000 0.286 1221 L C 0.038 177.002 176.870 0.157 0.000 1.106 1221 L CA -0.432 54.444 54.840 0.060 0.000 0.859 1221 L CB -0.528 41.580 42.059 0.080 0.000 1.223 1221 L HN 0.495 nan 8.230 nan 0.000 0.446 1222 Y N 3.922 124.345 120.300 0.205 0.000 3.238 1222 Y HA 0.019 4.558 4.550 -0.017 0.000 0.368 1222 Y C 1.052 176.993 175.900 0.068 0.000 1.038 1222 Y CA 0.075 58.265 58.100 0.149 0.000 2.088 1222 Y CB -0.320 38.210 38.460 0.116 0.000 2.293 1222 Y HN 0.587 nan 8.280 nan 0.000 0.402 1223 Q N 0.146 120.054 119.800 0.181 0.000 2.511 1223 Q HA 0.336 4.665 4.340 -0.017 0.000 0.289 1223 Q C -1.506 174.537 176.000 0.071 0.000 1.021 1223 Q CA -1.323 54.547 55.803 0.112 0.000 0.785 1223 Q CB 1.604 30.403 28.738 0.101 0.000 1.472 1223 Q HN 0.067 nan 8.270 nan 0.000 0.411 1224 K N 1.273 121.702 120.400 0.049 0.000 2.355 1224 K HA 0.162 4.471 4.320 -0.017 0.000 0.270 1224 K C -0.142 176.482 176.600 0.040 0.000 1.003 1224 K CA -0.018 56.286 56.287 0.029 0.000 0.957 1224 K CB 0.343 32.855 32.500 0.020 0.000 0.939 1224 K HN 0.578 nan 8.250 nan 0.000 0.482 1225 R N 2.859 123.375 120.500 0.027 0.000 2.638 1225 R HA -0.123 4.207 4.340 -0.017 0.000 0.351 1225 R C -0.237 176.086 176.300 0.040 0.000 0.871 1225 R CA 0.301 56.423 56.100 0.036 0.000 1.091 1225 R CB -0.103 30.200 30.300 0.005 0.000 0.900 1225 R HN 0.609 nan 8.270 nan 0.000 0.405 1226 D N 3.709 124.161 120.400 0.087 0.000 2.424 1226 D HA -0.024 4.605 4.640 -0.017 0.000 0.244 1226 D C 0.057 176.397 176.300 0.067 0.000 1.134 1226 D CA 0.301 54.361 54.000 0.100 0.000 0.881 1226 D CB 0.835 41.727 40.800 0.152 0.000 1.191 1226 D HN 0.618 nan 8.370 nan 0.000 0.445 1227 R N 0.912 121.424 120.500 0.019 0.000 2.513 1227 R HA 0.080 4.410 4.340 -0.017 0.000 0.245 1227 R C 0.856 177.171 176.300 0.025 0.000 0.908 1227 R CA -0.048 56.002 56.100 -0.084 0.000 1.023 1227 R CB 0.275 30.504 30.300 -0.120 0.000 1.338 1227 R HN 0.606 nan 8.270 nan 0.000 0.575 1228 T N -0.970 113.630 114.554 0.075 0.000 2.595 1228 T HA -0.159 4.181 4.350 -0.017 0.000 0.339 1228 T C 1.365 176.152 174.700 0.146 0.000 1.059 1228 T CA 0.086 62.242 62.100 0.092 0.000 1.035 1228 T CB 0.605 69.524 68.868 0.086 0.000 1.003 1228 T HN 0.002 nan 8.240 nan 0.000 0.540 1229 Q N 0.329 120.205 119.800 0.126 0.000 2.217 1229 Q HA -0.193 4.137 4.340 -0.017 0.000 0.209 1229 Q C 2.452 178.557 176.000 0.174 0.000 0.988 1229 Q CA 2.172 58.061 55.803 0.145 0.000 0.878 1229 Q CB -0.820 27.982 28.738 0.106 0.000 0.909 1229 Q HN 0.863 nan 8.270 nan 0.000 0.424 1230 Q N -1.560 118.334 119.800 0.156 0.000 2.217 1230 Q HA -0.241 4.088 4.340 -0.017 0.000 0.209 1230 Q C 1.617 177.724 176.000 0.178 0.000 0.988 1230 Q CA 1.731 57.621 55.803 0.145 0.000 0.878 1230 Q CB -0.383 28.432 28.738 0.128 0.000 0.909 1230 Q HN 0.545 nan 8.270 nan 0.000 0.424 1231 Y N 2.158 122.528 120.300 0.116 0.000 2.034 1231 Y HA -0.311 4.229 4.550 -0.017 0.000 0.269 1231 Y C 1.712 177.731 175.900 0.199 0.000 1.125 1231 Y CA 2.264 60.454 58.100 0.149 0.000 1.097 1231 Y CB -0.333 38.222 38.460 0.159 0.000 0.978 1231 Y HN 0.211 nan 8.280 nan 0.000 0.480 1232 D N 0.120 120.774 120.400 0.424 0.000 2.127 1232 D HA -0.254 4.376 4.640 -0.017 0.000 0.190 1232 D C 1.655 178.056 176.300 0.167 0.000 1.000 1232 D CA 1.802 56.030 54.000 0.380 0.000 0.839 1232 D CB -1.060 40.016 40.800 0.459 0.000 0.955 1232 D HN 0.407 nan 8.370 nan 0.000 0.446 1233 D N 0.061 120.559 120.400 0.163 0.000 2.200 1233 D HA -0.189 4.441 4.640 -0.017 0.000 0.192 1233 D C 2.059 178.402 176.300 0.070 0.000 1.008 1233 D CA 0.707 54.777 54.000 0.117 0.000 0.872 1233 D CB -0.479 40.383 40.800 0.104 0.000 0.923 1233 D HN 0.135 nan 8.370 nan 0.000 0.447 1234 L N 1.070 122.303 121.223 0.017 0.000 2.017 1234 L HA -0.152 4.178 4.340 -0.017 0.000 0.208 1234 L C 2.159 179.005 176.870 -0.039 0.000 1.073 1234 L CA 1.288 56.112 54.840 -0.026 0.000 0.745 1234 L CB -0.780 41.224 42.059 -0.091 0.000 0.894 1234 L HN -0.028 nan 8.230 nan 0.000 0.432 1235 I N -0.143 120.347 120.570 -0.133 0.000 2.151 1235 I HA -0.312 3.847 4.170 -0.017 0.000 0.243 1235 I C 2.289 178.432 176.117 0.043 0.000 1.080 1235 I CA 1.421 62.630 61.300 -0.151 0.000 1.339 1235 I CB -1.834 35.915 38.000 -0.418 0.000 1.039 1235 I HN 0.328 nan 8.210 nan 0.000 0.409 1236 D N 0.802 121.277 120.400 0.126 0.000 2.078 1236 D HA -0.241 4.389 4.640 -0.017 0.000 0.193 1236 D C 2.017 178.375 176.300 0.096 0.000 0.990 1236 D CA 1.687 55.807 54.000 0.200 0.000 0.827 1236 D CB -0.283 40.663 40.800 0.244 0.000 0.975 1236 D HN 0.516 nan 8.370 nan 0.000 0.451 1237 E N 0.403 120.653 120.200 0.084 0.000 2.169 1237 E HA -0.228 4.111 4.350 -0.017 0.000 0.202 1237 E C 0.954 177.578 176.600 0.040 0.000 1.016 1237 E CA 0.706 57.139 56.400 0.054 0.000 0.817 1237 E CB -0.346 29.386 29.700 0.053 0.000 0.736 1237 E HN 0.209 nan 8.360 nan 0.000 0.462 1241 A N 2.824 125.510 122.820 -0.222 0.000 1.909 1241 A HA -0.258 4.052 4.320 -0.017 0.000 0.221 1241 A C 1.934 179.396 177.584 -0.203 0.000 1.223 1241 A CA 2.294 54.236 52.037 -0.158 0.000 0.658 1241 A CB -0.793 18.154 19.000 -0.088 0.000 0.831 1241 A HN 0.360 nan 8.150 nan 0.000 0.462 1242 I N 0.212 120.557 120.570 -0.376 0.000 2.058 1242 I HA -0.239 3.920 4.170 -0.017 0.000 0.235 1242 I C 2.852 178.853 176.117 -0.192 0.000 1.053 1242 I CA 2.410 63.532 61.300 -0.297 0.000 1.313 1242 I CB -2.106 35.531 38.000 -0.605 0.000 1.039 1242 I HN 0.559 nan 8.210 nan 0.000 0.396 1243 T N -0.543 113.824 114.554 -0.312 0.000 2.721 1243 T HA -0.241 4.098 4.350 -0.017 0.000 0.268 1243 T C 1.581 176.216 174.700 -0.109 0.000 1.038 1243 T CA 1.699 63.677 62.100 -0.203 0.000 1.145 1243 T CB -0.582 68.116 68.868 -0.282 0.000 0.858 1243 T HN 0.202 nan 8.240 nan 0.000 0.459 1244 D N 1.027 121.353 120.400 -0.123 0.000 2.103 1244 D HA -0.100 4.529 4.640 -0.017 0.000 0.190 1244 D C 2.309 178.541 176.300 -0.114 0.000 0.997 1244 D CA 1.274 55.221 54.000 -0.089 0.000 0.833 1244 D CB -0.333 40.416 40.800 -0.085 0.000 0.961 1244 D HN 0.403 nan 8.370 nan 0.000 0.447 1245 R N -0.827 119.572 120.500 -0.167 0.000 2.073 1245 R HA -0.079 4.251 4.340 -0.017 0.000 0.229 1245 R C 1.308 177.341 176.300 -0.445 0.000 1.120 1245 R CA 0.898 56.808 56.100 -0.317 0.000 0.967 1245 R CB -0.073 29.985 30.300 -0.403 0.000 0.862 1245 R HN 0.269 nan 8.270 nan 0.000 0.436 1246 Y N -0.037 120.231 120.300 -0.053 0.000 2.571 1246 Y HA 0.299 4.836 4.550 -0.020 0.000 0.275 1246 Y C 0.781 176.670 175.900 -0.018 0.000 1.179 1246 Y CA 0.187 58.275 58.100 -0.020 0.000 1.242 1246 Y CB 1.119 39.562 38.460 -0.030 0.000 1.126 1246 Y HN 0.397 nan 8.280 nan 0.000 0.524 1247 G N 0.226 109.051 108.800 0.042 0.000 2.698 1247 G HA2 -0.257 3.693 3.960 -0.017 0.000 0.225 1247 G HA3 -0.257 3.693 3.960 -0.017 0.000 0.225 1247 G C 0.161 175.068 174.900 0.011 0.000 1.345 1247 G CA -0.358 44.762 45.100 0.035 0.000 0.871 1247 G HN 0.193 nan 8.290 nan 0.000 0.540 1248 R N 0.486 120.999 120.500 0.022 0.000 2.103 1248 R HA 0.109 4.439 4.340 -0.017 0.000 0.212 1248 R C 2.530 178.819 176.300 -0.019 0.000 1.107 1248 R CA 1.357 57.467 56.100 0.017 0.000 1.025 1248 R CB -0.693 29.652 30.300 0.075 0.000 0.929 1248 R HN 0.722 nan 8.270 nan 0.000 0.456 1249 N N -0.026 118.661 118.700 -0.022 0.000 2.588 1249 N HA -0.114 4.616 4.740 -0.017 0.000 0.190 1249 N C -0.001 175.482 175.510 -0.045 0.000 1.094 1249 N CA 0.730 53.742 53.050 -0.063 0.000 0.921 1249 N CB -0.900 37.559 38.487 -0.047 0.000 0.959 1249 N HN -0.042 nan 8.380 nan 0.000 0.448 1250 T N 1.282 115.820 114.554 -0.028 0.000 2.831 1250 T HA 0.008 4.347 4.350 -0.017 0.000 0.291 1250 T C 0.003 174.667 174.700 -0.060 0.000 0.981 1250 T CA -0.566 61.509 62.100 -0.041 0.000 1.174 1250 T CB -0.283 68.564 68.868 -0.036 0.000 0.929 1250 T HN 0.252 nan 8.240 nan 0.000 0.532 1251 L N 7.617 128.817 121.223 -0.039 0.000 2.462 1251 L HA 0.380 4.709 4.340 -0.017 0.000 0.272 1251 L C -0.323 176.540 176.870 -0.012 0.000 1.166 1251 L CA 0.465 55.317 54.840 0.020 0.000 0.880 1251 L CB -0.140 41.968 42.059 0.080 0.000 1.142 1251 L HN 0.612 nan 8.230 nan 0.000 0.473 1252 I N 6.072 126.665 120.570 0.038 0.000 2.537 1252 I HA 0.225 4.384 4.170 -0.017 0.000 0.276 1252 I C -0.285 175.850 176.117 0.030 0.000 1.063 1252 I CA -0.389 60.911 61.300 -0.001 0.000 1.144 1252 I CB 1.064 39.051 38.000 -0.022 0.000 1.252 1252 I HN 0.617 nan 8.210 nan 0.000 0.480 1253 Q N 5.042 124.765 119.800 -0.127 0.000 2.267 1253 Q HA 0.371 4.701 4.340 -0.017 0.000 0.255 1253 Q C -1.199 174.674 176.000 -0.211 0.000 0.923 1253 Q CA -0.334 55.190 55.803 -0.466 0.000 0.925 1253 Q CB 1.424 29.828 28.738 -0.556 0.000 1.195 1253 Q HN 0.332 nan 8.270 nan 0.000 0.417 1254 F N 1.973 121.695 119.950 -0.381 0.000 2.362 1254 F HA 0.417 4.934 4.527 -0.016 0.000 0.311 1254 F C 0.589 176.346 175.800 -0.072 0.000 1.161 1254 F CA -0.002 57.912 58.000 -0.143 0.000 1.085 1254 F CB 1.042 39.950 39.000 -0.153 0.000 1.311 1254 F HN 0.479 nan 8.300 nan 0.000 0.524 1255 E N 0.086 120.470 120.200 0.307 0.000 2.400 1255 E HA 0.084 4.423 4.350 -0.017 0.000 0.285 1255 E C -1.579 175.102 176.600 0.135 0.000 1.005 1255 E CA -0.598 55.888 56.400 0.144 0.000 0.816 1255 E CB 1.788 31.464 29.700 -0.040 0.000 1.220 1255 E HN 0.479 nan 8.360 nan 0.000 0.426 1256 D N 1.563 122.005 120.400 0.070 0.000 2.755 1256 D HA -0.225 4.404 4.640 -0.017 0.000 0.227 1256 D C -0.344 175.933 176.300 -0.037 0.000 1.211 1256 D CA 1.119 55.120 54.000 0.000 0.000 0.663 1256 D CB -1.076 39.677 40.800 -0.078 0.000 0.983 1256 D HN 0.200 nan 8.370 nan 0.000 0.407 1257 F N -0.327 119.648 119.950 0.042 0.000 2.362 1257 F HA 0.535 5.052 4.527 -0.018 0.000 0.340 1257 F C 1.861 177.700 175.800 0.065 0.000 1.088 1257 F CA -0.174 57.885 58.000 0.097 0.000 1.096 1257 F CB 0.763 39.892 39.000 0.216 0.000 1.486 1257 F HN -0.045 nan 8.300 nan 0.000 0.500 1258 G N 1.473 110.467 108.800 0.324 0.000 3.444 1258 G HA2 0.215 4.165 3.960 -0.017 0.000 0.315 1258 G HA3 0.215 4.165 3.960 -0.017 0.000 0.315 1258 G C 0.077 175.092 174.900 0.192 0.000 1.079 1258 G CA -0.259 44.950 45.100 0.182 0.000 1.500 1258 G HN 0.703 nan 8.290 nan 0.000 0.518 1259 N N 1.364 120.155 118.700 0.151 0.000 1.297 1259 N HA -0.484 4.245 4.740 -0.017 0.000 0.143 1259 N C 1.504 177.163 175.510 0.248 0.000 0.350 1259 N CA 2.126 55.271 53.050 0.159 0.000 1.107 1259 N CB -0.986 37.628 38.487 0.212 0.000 1.462 1259 N HN 0.548 nan 8.380 nan 0.000 0.429 1260 H N 2.460 121.624 119.070 0.157 0.000 1.467 1260 H HA -0.280 4.266 4.556 -0.017 0.000 0.093 1260 H C 1.742 177.083 175.328 0.022 0.000 1.184 1260 H CA 2.983 59.091 56.048 0.100 0.000 1.895 1260 H CB -1.453 28.328 29.762 0.032 0.000 2.251 1260 H HN 0.714 nan 8.280 nan 0.000 0.959 1261 N N 1.219 119.942 118.700 0.038 0.000 2.149 1261 N HA -0.133 4.596 4.740 -0.017 0.000 0.188 1261 N C 2.108 177.477 175.510 -0.235 0.000 1.019 1261 N CA 1.200 54.024 53.050 -0.378 0.000 0.857 1261 N CB -0.340 37.968 38.487 -0.298 0.000 0.997 1261 N HN 0.537 nan 8.380 nan 0.000 0.426 1262 A N 1.353 124.160 122.820 -0.022 0.000 1.917 1262 A HA -0.127 4.182 4.320 -0.017 0.000 0.219 1262 A C 1.912 179.347 177.584 -0.248 0.000 1.182 1262 A CA 1.232 53.193 52.037 -0.126 0.000 0.633 1262 A CB -0.874 18.039 19.000 -0.145 0.000 0.819 1262 A HN 0.266 nan 8.150 nan 0.000 0.448 1263 F N -0.287 119.610 119.950 -0.089 0.000 2.234 1263 F HA -0.051 4.466 4.527 -0.017 0.000 0.296 1263 F C 2.562 178.341 175.800 -0.035 0.000 1.089 1263 F CA 1.330 59.251 58.000 -0.131 0.000 1.343 1263 F CB -0.080 38.767 39.000 -0.255 0.000 1.040 1263 F HN 0.299 nan 8.300 nan 0.000 0.498 1264 R N 0.306 120.882 120.500 0.127 0.000 2.055 1264 R HA -0.140 4.189 4.340 -0.017 0.000 0.228 1264 R C 2.072 178.346 176.300 -0.044 0.000 1.143 1264 R CA 1.848 57.958 56.100 0.017 0.000 0.945 1264 R CB -1.488 28.756 30.300 -0.094 0.000 0.841 1264 R HN 0.203 nan 8.270 nan 0.000 0.429 1265 F N 1.136 121.039 119.950 -0.079 0.000 2.236 1265 F HA -0.215 4.302 4.527 -0.016 0.000 0.302 1265 F C 2.317 177.992 175.800 -0.209 0.000 1.073 1265 F CA 0.055 57.959 58.000 -0.161 0.000 1.336 1265 F CB -0.187 38.755 39.000 -0.098 0.000 1.040 1265 F HN 0.148 nan 8.300 nan 0.000 0.507 1266 L N 0.980 122.174 121.223 -0.048 0.000 1.937 1266 L HA -0.186 4.144 4.340 -0.017 0.000 0.213 1266 L C 2.402 179.288 176.870 0.027 0.000 1.077 1266 L CA 1.791 56.592 54.840 -0.064 0.000 0.758 1266 L CB -1.257 40.757 42.059 -0.076 0.000 0.888 1266 L HN 0.023 nan 8.230 nan 0.000 0.433 1267 R N -0.286 120.250 120.500 0.060 0.000 2.133 1267 R HA -0.243 4.087 4.340 -0.017 0.000 0.247 1267 R C 2.063 178.360 176.300 -0.005 0.000 1.151 1267 R CA 1.781 57.918 56.100 0.061 0.000 0.971 1267 R CB -0.248 30.110 30.300 0.096 0.000 0.866 1267 R HN 0.398 nan 8.270 nan 0.000 0.447 1268 K N 0.271 120.624 120.400 -0.077 0.000 1.998 1268 K HA -0.195 4.115 4.320 -0.017 0.000 0.224 1268 K C 1.792 178.295 176.600 -0.162 0.000 1.006 1268 K CA 1.912 58.061 56.287 -0.231 0.000 1.051 1268 K CB -0.730 31.443 32.500 -0.546 0.000 0.803 1268 K HN 0.068 nan 8.250 nan 0.000 0.450 1269 Y N 1.119 121.458 120.300 0.065 0.000 2.425 1269 Y HA -0.251 4.290 4.550 -0.016 0.000 0.285 1269 Y C 2.214 178.176 175.900 0.104 0.000 1.170 1269 Y CA 1.462 59.608 58.100 0.076 0.000 1.304 1269 Y CB -0.785 37.873 38.460 0.331 0.000 0.972 1269 Y HN 0.356 nan 8.280 nan 0.000 0.558 1270 R N 0.888 121.518 120.500 0.217 0.000 2.113 1270 R HA -0.247 4.083 4.340 -0.017 0.000 0.244 1270 R C 1.739 178.157 176.300 0.197 0.000 1.142 1270 R CA 2.139 58.366 56.100 0.212 0.000 0.953 1270 R CB -0.394 29.988 30.300 0.137 0.000 0.860 1270 R HN 0.154 nan 8.270 nan 0.000 0.438 1271 E N 0.505 120.731 120.200 0.043 0.000 2.230 1271 E HA -0.098 4.242 4.350 -0.017 0.000 0.192 1271 E C 1.508 178.036 176.600 -0.120 0.000 0.987 1271 E CA 1.250 57.561 56.400 -0.148 0.000 0.841 1271 E CB 0.069 29.695 29.700 -0.124 0.000 0.783 1271 E HN 0.619 nan 8.360 nan 0.000 0.481 1272 K N -1.103 119.297 120.400 0.001 0.000 2.393 1272 K HA 0.019 4.329 4.320 -0.017 0.000 0.193 1272 K C -0.184 176.379 176.600 -0.061 0.000 1.026 1272 K CA 0.191 56.417 56.287 -0.102 0.000 1.064 1272 K CB 0.398 32.621 32.500 -0.461 0.000 0.833 1272 K HN 0.032 nan 8.250 nan 0.000 0.521 1273 Y N -1.692 118.846 120.300 0.398 0.000 2.689 1273 Y HA 0.237 4.778 4.550 -0.016 0.000 0.333 1273 Y C -0.162 175.764 175.900 0.043 0.000 1.190 1273 Y CA -1.619 56.557 58.100 0.127 0.000 1.063 1273 Y CB 1.406 39.933 38.460 0.112 0.000 1.294 1273 Y HN -0.112 nan 8.280 nan 0.000 0.466 1274 C N 1.764 121.127 119.300 0.104 0.000 2.329 1274 C HA 0.230 4.680 4.460 -0.017 0.000 0.399 1274 C C 0.785 175.897 174.990 0.204 0.000 1.323 1274 C CA 0.208 59.262 59.018 0.060 0.000 1.721 1274 C CB -2.282 25.440 27.740 -0.030 0.000 2.124 1274 C HN 0.683 nan 8.230 nan 0.000 0.585 1275 T N 0.640 115.368 114.554 0.290 0.000 2.847 1275 T HA 0.682 5.022 4.350 -0.017 0.000 0.279 1275 T C -0.684 174.270 174.700 0.424 0.000 0.984 1275 T CA -0.070 62.214 62.100 0.306 0.000 0.988 1275 T CB 0.813 69.845 68.868 0.274 0.000 1.040 1275 T HN 0.693 nan 8.240 nan 0.000 0.528 1276 F N 0.867 120.939 119.950 0.205 0.000 2.842 1276 F HA 0.529 5.045 4.527 -0.018 0.000 0.319 1276 F C -2.065 173.821 175.800 0.144 0.000 1.159 1276 F CA -1.288 56.822 58.000 0.184 0.000 0.902 1276 F CB 1.044 40.245 39.000 0.335 0.000 1.311 1276 F HN 0.460 nan 8.300 nan 0.000 0.453 1277 N N 1.778 120.580 118.700 0.170 0.000 2.399 1277 N HA 0.191 4.920 4.740 -0.017 0.000 0.284 1277 N C -0.374 175.236 175.510 0.166 0.000 1.025 1277 N CA -0.037 52.986 53.050 -0.046 0.000 0.885 1277 N CB 1.932 40.361 38.487 -0.097 0.000 1.339 1277 N HN 0.983 nan 8.380 nan 0.000 0.487 1278 D N 1.958 122.422 120.400 0.105 0.000 2.144 1278 D HA -0.107 4.522 4.640 -0.017 0.000 0.200 1278 D C 0.003 176.397 176.300 0.156 0.000 0.978 1278 D CA 1.296 55.491 54.000 0.325 0.000 0.833 1278 D CB 0.247 41.164 40.800 0.195 0.000 0.961 1278 D HN 0.469 nan 8.370 nan 0.000 0.470 1279 D N -0.502 119.930 120.400 0.054 0.000 2.395 1279 D HA 0.095 4.724 4.640 -0.017 0.000 0.250 1279 D C 1.039 177.295 176.300 -0.072 0.000 1.203 1279 D CA 0.291 54.298 54.000 0.010 0.000 0.872 1279 D CB 0.586 41.385 40.800 -0.002 0.000 0.941 1279 D HN 0.473 nan 8.370 nan 0.000 0.504 1280 I N -1.314 119.205 120.570 -0.085 0.000 3.351 1280 I HA -0.123 4.037 4.170 -0.017 0.000 0.268 1280 I C 1.566 177.581 176.117 -0.170 0.000 1.047 1280 I CA -0.150 61.049 61.300 -0.169 0.000 1.570 1280 I CB 0.338 38.135 38.000 -0.338 0.000 1.877 1280 I HN -0.278 nan 8.210 nan 0.000 0.373 1281 Q N 1.294 120.927 119.800 -0.278 0.000 2.123 1281 Q HA -0.026 4.303 4.340 -0.017 0.000 0.199 1281 Q C 1.971 177.770 176.000 -0.336 0.000 0.966 1281 Q CA 2.024 57.416 55.803 -0.686 0.000 0.845 1281 Q CB -0.232 27.529 28.738 -1.627 0.000 0.907 1281 Q HN 0.626 nan 8.270 nan 0.000 0.439 1282 G N -0.328 108.484 108.800 0.019 0.000 2.484 1282 G HA2 -0.264 3.685 3.960 -0.017 0.000 0.215 1282 G HA3 -0.264 3.685 3.960 -0.017 0.000 0.215 1282 G C 1.356 176.346 174.900 0.149 0.000 1.219 1282 G CA 1.322 46.560 45.100 0.230 0.000 0.791 1282 G HN 0.286 nan 8.290 nan 0.000 0.550 1283 T N 1.979 116.599 114.554 0.110 0.000 2.565 1283 T HA -0.221 4.118 4.350 -0.017 0.000 0.265 1283 T C 2.692 177.436 174.700 0.073 0.000 1.082 1283 T CA 2.530 64.682 62.100 0.086 0.000 1.173 1283 T CB -0.863 68.037 68.868 0.054 0.000 0.864 1283 T HN 0.499 nan 8.240 nan 0.000 0.425 1284 A N 1.987 124.828 122.820 0.035 0.000 1.891 1284 A HA -0.167 4.143 4.320 -0.017 0.000 0.221 1284 A C 2.691 180.322 177.584 0.079 0.000 1.394 1284 A CA 3.347 55.407 52.037 0.039 0.000 0.730 1284 A CB -1.668 17.328 19.000 -0.006 0.000 0.845 1284 A HN 0.739 nan 8.150 nan 0.000 0.471 1285 A N -1.248 121.635 122.820 0.104 0.000 1.969 1285 A HA -0.236 4.073 4.320 -0.017 0.000 0.223 1285 A C 2.278 179.922 177.584 0.100 0.000 1.218 1285 A CA 3.482 55.595 52.037 0.127 0.000 0.667 1285 A CB -1.630 17.482 19.000 0.187 0.000 0.826 1285 A HN 1.086 nan 8.150 nan 0.000 0.472 1286 V N -1.178 118.788 119.914 0.085 0.000 2.270 1286 V HA -0.130 3.979 4.120 -0.017 0.000 0.245 1286 V C 2.883 179.089 176.094 0.187 0.000 1.043 1286 V CA 1.923 64.246 62.300 0.038 0.000 1.014 1286 V CB -1.891 29.900 31.823 -0.054 0.000 0.645 1286 V HN 0.671 nan 8.190 nan 0.000 0.447 1287 A N 0.690 123.621 122.820 0.185 0.000 1.849 1287 A HA -0.256 4.053 4.320 -0.017 0.000 0.217 1287 A C 2.263 179.924 177.584 0.127 0.000 1.202 1287 A CA 2.434 54.599 52.037 0.214 0.000 0.629 1287 A CB -0.949 18.128 19.000 0.129 0.000 0.834 1287 A HN 0.476 nan 8.150 nan 0.000 0.447 1288 L N -0.540 120.726 121.223 0.072 0.000 2.137 1288 L HA -0.203 4.127 4.340 -0.017 0.000 0.213 1288 L C 2.681 179.585 176.870 0.058 0.000 1.085 1288 L CA 1.997 56.857 54.840 0.032 0.000 0.760 1288 L CB -0.327 41.760 42.059 0.047 0.000 0.893 1288 L HN 0.412 nan 8.230 nan 0.000 0.434 1289 A N -1.142 121.756 122.820 0.130 0.000 2.014 1289 A HA 0.028 4.337 4.320 -0.017 0.000 0.218 1289 A C 2.260 179.933 177.584 0.148 0.000 1.163 1289 A CA 1.235 53.365 52.037 0.155 0.000 0.652 1289 A CB -1.123 17.995 19.000 0.197 0.000 0.808 1289 A HN 0.503 nan 8.150 nan 0.000 0.449 1290 G N 0.100 109.030 108.800 0.216 0.000 2.425 1290 G HA2 -0.079 3.870 3.960 -0.017 0.000 0.213 1290 G HA3 -0.079 3.870 3.960 -0.017 0.000 0.213 1290 G C 1.479 176.422 174.900 0.072 0.000 1.201 1290 G CA 0.836 45.908 45.100 -0.047 0.000 0.799 1290 G HN 0.388 nan 8.290 nan 0.000 0.534 1291 L N 0.229 121.420 121.223 -0.053 0.000 2.127 1291 L HA -0.058 4.271 4.340 -0.017 0.000 0.211 1291 L C 2.903 179.735 176.870 -0.063 0.000 1.089 1291 L CA 0.584 55.325 54.840 -0.166 0.000 0.757 1291 L CB -0.614 41.263 42.059 -0.304 0.000 0.899 1291 L HN 0.171 nan 8.230 nan 0.000 0.434 1292 L N -0.172 121.033 121.223 -0.029 0.000 2.056 1292 L HA -0.180 4.150 4.340 -0.017 0.000 0.207 1292 L C 2.965 179.835 176.870 -0.000 0.000 1.078 1292 L CA 1.114 55.950 54.840 -0.007 0.000 0.749 1292 L CB -0.644 41.421 42.059 0.011 0.000 0.901 1292 L HN 0.263 nan 8.230 nan 0.000 0.433 1293 A N 0.241 123.053 122.820 -0.013 0.000 1.851 1293 A HA -0.252 4.057 4.320 -0.017 0.000 0.216 1293 A C 2.542 180.123 177.584 -0.005 0.000 1.195 1293 A CA 2.031 54.052 52.037 -0.026 0.000 0.622 1293 A CB -0.926 18.015 19.000 -0.098 0.000 0.831 1293 A HN 0.417 nan 8.150 nan 0.000 0.444 1294 A N -0.966 121.864 122.820 0.017 0.000 1.863 1294 A HA -0.354 3.955 4.320 -0.017 0.000 0.218 1294 A C 2.154 179.763 177.584 0.043 0.000 1.233 1294 A CA 2.692 54.758 52.037 0.048 0.000 0.655 1294 A CB -0.968 18.097 19.000 0.108 0.000 0.839 1294 A HN 0.587 nan 8.150 nan 0.000 0.454 1295 Q N -0.238 119.589 119.800 0.046 0.000 2.248 1295 Q HA -0.227 4.102 4.340 -0.017 0.000 0.208 1295 Q C 1.917 177.948 176.000 0.052 0.000 0.984 1295 Q CA 2.322 58.167 55.803 0.071 0.000 0.875 1295 Q CB -0.334 28.461 28.738 0.094 0.000 0.910 1295 Q HN 0.723 nan 8.270 nan 0.000 0.433 1296 K N -0.806 119.614 120.400 0.033 0.000 2.209 1296 K HA -0.108 4.201 4.320 -0.017 0.000 0.204 1296 K C 1.323 177.936 176.600 0.021 0.000 1.048 1296 K CA 1.433 57.735 56.287 0.025 0.000 0.940 1296 K CB 0.035 32.545 32.500 0.016 0.000 0.729 1296 K HN 0.264 nan 8.250 nan 0.000 0.451 1297 V N -1.556 118.370 119.914 0.019 0.000 3.427 1297 V HA 0.189 4.299 4.120 -0.017 0.000 0.305 1297 V C 0.871 176.976 176.094 0.017 0.000 1.412 1297 V CA -0.170 62.137 62.300 0.012 0.000 1.086 1297 V CB 0.166 31.989 31.823 0.001 0.000 0.964 1297 V HN 0.081 nan 8.190 nan 0.000 0.439 1298 I N 0.528 121.117 120.570 0.032 0.000 3.443 1298 I HA 0.376 4.535 4.170 -0.017 0.000 0.277 1298 I C 1.116 177.251 176.117 0.031 0.000 1.169 1298 I CA 0.507 61.829 61.300 0.037 0.000 1.419 1298 I CB -0.349 37.691 38.000 0.065 0.000 1.331 1298 I HN 0.455 nan 8.210 nan 0.000 0.458 1299 S N 2.454 118.178 115.700 0.040 0.000 3.368 1299 S HA -0.210 4.250 4.470 -0.017 0.000 0.470 1299 S C 0.292 174.891 174.600 -0.000 0.000 0.774 1299 S CA 0.351 58.566 58.200 0.025 0.000 1.368 1299 S CB -1.314 61.894 63.200 0.014 0.000 0.978 1299 S HN 0.495 nan 8.310 nan 0.000 0.717 1300 K N 1.842 122.229 120.400 -0.022 0.000 2.756 1300 K HA 0.287 4.597 4.320 -0.017 0.000 0.218 1300 K C -2.990 173.459 176.600 -0.252 0.000 1.057 1300 K CA -2.294 53.921 56.287 -0.120 0.000 1.056 1300 K CB 1.025 33.448 32.500 -0.128 0.000 1.235 1300 K HN 0.063 nan 8.250 nan 0.000 0.547 1301 P HA -0.180 nan 4.420 nan 0.000 0.207 1301 P C 0.517 177.701 177.300 -0.194 0.000 0.945 1301 P CA 0.553 63.585 63.100 -0.114 0.000 1.033 1301 P CB -0.254 31.405 31.700 -0.068 0.000 1.023 1302 I N 1.640 122.123 120.570 -0.146 0.000 4.442 1302 I HA -0.539 3.621 4.170 -0.017 0.000 0.102 1302 I C 2.409 178.485 176.117 -0.068 0.000 0.669 1302 I CA 2.487 63.804 61.300 0.029 0.000 0.707 1302 I CB -1.891 36.212 38.000 0.171 0.000 0.598 1302 I HN 0.271 nan 8.210 nan 0.000 0.214 1303 S N -0.121 115.578 115.700 -0.002 0.000 2.565 1303 S HA -0.351 4.109 4.470 -0.017 0.000 0.310 1303 S C 1.443 176.038 174.600 -0.010 0.000 1.244 1303 S CA 2.515 60.718 58.200 0.006 0.000 1.170 1303 S CB -0.724 62.471 63.200 -0.008 0.000 1.179 1303 S HN 0.719 nan 8.310 nan 0.000 0.441 1304 E N -0.002 120.142 120.200 -0.093 0.000 2.463 1304 E HA 0.133 4.473 4.350 -0.017 0.000 0.191 1304 E C 0.159 176.725 176.600 -0.057 0.000 1.083 1304 E CA 0.197 56.550 56.400 -0.078 0.000 0.872 1304 E CB -0.445 29.193 29.700 -0.102 0.000 0.966 1304 E HN 0.649 nan 8.360 nan 0.000 0.491 1305 H N 0.978 120.069 119.070 0.035 0.000 2.582 1305 H HA 0.329 4.875 4.556 -0.017 0.000 0.345 1305 H C -0.293 175.071 175.328 0.060 0.000 1.104 1305 H CA -0.196 55.874 56.048 0.038 0.000 1.390 1305 H CB 0.887 30.676 29.762 0.045 0.000 1.461 1305 H HN -0.083 nan 8.280 nan 0.000 0.551 1306 K N 3.182 123.698 120.400 0.192 0.000 2.468 1306 K HA 0.481 4.790 4.320 -0.017 0.000 0.252 1306 K C -1.532 175.126 176.600 0.098 0.000 0.932 1306 K CA -0.627 55.745 56.287 0.141 0.000 0.794 1306 K CB 1.614 34.151 32.500 0.063 0.000 1.241 1306 K HN 0.476 nan 8.250 nan 0.000 0.428 1307 I N 4.226 124.882 120.570 0.143 0.000 2.571 1307 I HA 0.269 4.429 4.170 -0.017 0.000 0.289 1307 I C -1.121 175.078 176.117 0.135 0.000 1.115 1307 I CA -0.826 60.512 61.300 0.063 0.000 1.045 1307 I CB 1.844 39.875 38.000 0.051 0.000 1.238 1307 I HN 0.435 nan 8.210 nan 0.000 0.424 1308 L N 6.445 127.669 121.223 0.001 0.000 2.298 1308 L HA 0.723 5.053 4.340 -0.017 0.000 0.268 1308 L C -1.705 175.163 176.870 -0.003 0.000 1.010 1308 L CA -0.404 54.525 54.840 0.147 0.000 0.812 1308 L CB 1.671 43.790 42.059 0.099 0.000 1.331 1308 L HN 0.357 nan 8.230 nan 0.000 0.450 1309 F N 1.475 121.616 119.950 0.318 0.000 2.588 1309 F HA 0.335 4.851 4.527 -0.017 0.000 0.314 1309 F C 0.138 176.087 175.800 0.249 0.000 1.134 1309 F CA -0.534 57.614 58.000 0.247 0.000 0.961 1309 F CB 1.720 40.797 39.000 0.128 0.000 1.239 1309 F HN 0.271 nan 8.300 nan 0.000 0.448 1310 L N 2.560 123.953 121.223 0.283 0.000 2.650 1310 L HA 0.473 4.802 4.340 -0.017 0.000 0.235 1310 L C 0.428 177.374 176.870 0.126 0.000 1.149 1310 L CA 0.645 55.489 54.840 0.007 0.000 0.887 1310 L CB -1.178 40.796 42.059 -0.143 0.000 1.021 1310 L HN 0.623 nan 8.230 nan 0.000 0.441 1311 G N -2.824 106.094 108.800 0.197 0.000 2.601 1311 G HA2 0.544 4.493 3.960 -0.017 0.000 0.291 1311 G HA3 0.544 4.493 3.960 -0.017 0.000 0.291 1311 G C -1.067 173.844 174.900 0.018 0.000 1.456 1311 G CA -0.096 45.053 45.100 0.081 0.000 0.804 1311 G HN 0.116 nan 8.290 nan 0.000 0.499 1312 A N -0.348 122.435 122.820 -0.061 0.000 2.594 1312 A HA 0.714 5.024 4.320 -0.017 0.000 0.292 1312 A C 0.704 178.209 177.584 -0.131 0.000 1.026 1312 A CA 0.544 52.501 52.037 -0.133 0.000 0.983 1312 A CB 0.095 19.030 19.000 -0.109 0.000 1.233 1312 A HN 1.657 nan 8.150 nan 0.000 0.519 1313 G N -0.705 108.040 108.800 -0.092 0.000 2.368 1313 G HA2 0.477 4.426 3.960 -0.017 0.000 0.320 1313 G HA3 0.477 4.426 3.960 -0.017 0.000 0.320 1313 G C 0.303 175.197 174.900 -0.011 0.000 1.158 1313 G CA 0.510 45.580 45.100 -0.050 0.000 0.912 1313 G HN 0.464 nan 8.290 nan 0.000 0.456 1314 E N 1.597 121.847 120.200 0.082 0.000 3.858 1314 E HA -0.464 3.875 4.350 -0.017 0.000 0.304 1314 E C 2.326 178.972 176.600 0.076 0.000 1.347 1314 E CA 3.113 59.625 56.400 0.188 0.000 1.913 1314 E CB -1.211 28.536 29.700 0.079 0.000 1.712 1314 E HN 0.990 nan 8.360 nan 0.000 0.299 1315 A N 0.958 123.779 122.820 0.003 0.000 1.882 1315 A HA -0.241 4.068 4.320 -0.017 0.000 0.220 1315 A C 2.461 179.972 177.584 -0.121 0.000 1.253 1315 A CA 4.359 56.379 52.037 -0.028 0.000 0.664 1315 A CB -1.694 17.308 19.000 0.003 0.000 0.838 1315 A HN 1.139 nan 8.150 nan 0.000 0.460 1316 A N -0.641 122.056 122.820 -0.206 0.000 1.883 1316 A HA -0.258 4.051 4.320 -0.017 0.000 0.222 1316 A C 2.095 179.279 177.584 -0.666 0.000 1.339 1316 A CA 2.596 54.312 52.037 -0.535 0.000 0.692 1316 A CB -1.194 17.530 19.000 -0.461 0.000 0.845 1316 A HN 0.707 nan 8.150 nan 0.000 0.467 1317 L N -0.159 120.760 121.223 -0.506 0.000 1.990 1317 L HA -0.098 4.232 4.340 -0.017 0.000 0.213 1317 L C 2.868 179.561 176.870 -0.293 0.000 1.072 1317 L CA 2.121 56.652 54.840 -0.515 0.000 0.755 1317 L CB -1.629 40.198 42.059 -0.386 0.000 0.889 1317 L HN 0.478 nan 8.230 nan 0.000 0.432 1318 G N 0.331 109.060 108.800 -0.118 0.000 2.628 1318 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.217 1318 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.217 1318 G C 1.562 176.415 174.900 -0.079 0.000 1.240 1318 G CA 1.475 46.545 45.100 -0.050 0.000 0.792 1318 G HN 0.375 nan 8.290 nan 0.000 0.593 1319 I N 1.768 122.279 120.570 -0.097 0.000 2.064 1319 I HA -0.308 3.852 4.170 -0.017 0.000 0.234 1319 I C 3.305 179.397 176.117 -0.042 0.000 1.019 1319 I CA 1.718 62.995 61.300 -0.039 0.000 1.301 1319 I CB -0.934 37.068 38.000 0.002 0.000 1.017 1319 I HN 0.311 nan 8.210 nan 0.000 0.392 1320 A N 1.092 123.777 122.820 -0.225 0.000 1.883 1320 A HA -0.429 3.880 4.320 -0.017 0.000 0.232 1320 A C 2.188 179.851 177.584 0.132 0.000 1.671 1320 A CA 3.065 55.004 52.037 -0.163 0.000 0.748 1320 A CB -1.554 16.933 19.000 -0.855 0.000 0.850 1320 A HN 0.693 nan 8.150 nan 0.000 0.488 1321 N N -0.327 118.453 118.700 0.134 0.000 2.007 1321 N HA -0.194 4.535 4.740 -0.017 0.000 0.197 1321 N C 1.746 177.345 175.510 0.148 0.000 1.050 1321 N CA 2.163 55.349 53.050 0.228 0.000 0.856 1321 N CB -0.457 38.138 38.487 0.181 0.000 1.050 1321 N HN 0.348 nan 8.380 nan 0.000 0.423 1322 L N 1.560 122.842 121.223 0.097 0.000 2.137 1322 L HA -0.162 4.167 4.340 -0.017 0.000 0.213 1322 L C 2.261 179.187 176.870 0.095 0.000 1.085 1322 L CA 1.211 56.106 54.840 0.091 0.000 0.760 1322 L CB -0.407 41.699 42.059 0.077 0.000 0.893 1322 L HN 0.302 nan 8.230 nan 0.000 0.434 1323 I N -2.188 118.445 120.570 0.106 0.000 2.113 1323 I HA -0.218 3.941 4.170 -0.017 0.000 0.238 1323 I C 1.458 177.642 176.117 0.111 0.000 1.070 1323 I CA 0.264 61.626 61.300 0.102 0.000 1.332 1323 I CB -0.719 37.362 38.000 0.134 0.000 1.044 1323 I HN -0.128 nan 8.210 nan 0.000 0.402 1329 E N 1.764 121.998 120.200 0.057 0.000 2.171 1329 E HA -0.227 4.112 4.350 -0.017 0.000 0.197 1329 E C 0.850 177.481 176.600 0.052 0.000 0.997 1329 E CA 1.837 58.272 56.400 0.057 0.000 0.810 1329 E CB -0.025 29.712 29.700 0.061 0.000 0.738 1329 E HN 0.717 nan 8.360 nan 0.000 0.467 1330 N N 0.151 118.883 118.700 0.053 0.000 2.597 1330 N HA 0.105 4.834 4.740 -0.017 0.000 0.269 1330 N C -0.039 175.498 175.510 0.045 0.000 1.204 1330 N CA 0.762 53.843 53.050 0.051 0.000 0.947 1330 N CB 0.841 39.364 38.487 0.060 0.000 1.258 1330 N HN 0.273 nan 8.380 nan 0.000 0.508 1331 G N 0.604 109.428 108.800 0.039 0.000 2.289 1331 G HA2 -0.255 3.694 3.960 -0.017 0.000 0.280 1331 G HA3 -0.255 3.694 3.960 -0.017 0.000 0.280 1331 G C -0.309 174.610 174.900 0.031 0.000 1.089 1331 G CA 0.100 45.219 45.100 0.032 0.000 0.939 1331 G HN 0.386 nan 8.290 nan 0.000 0.499 1332 L N -0.526 120.717 121.223 0.033 0.000 2.177 1332 L HA 0.961 5.291 4.340 -0.017 0.000 0.255 1332 L C 0.481 177.363 176.870 0.020 0.000 1.065 1332 L CA -0.153 54.705 54.840 0.029 0.000 0.982 1332 L CB 2.074 44.158 42.059 0.041 0.000 1.559 1332 L HN 0.719 nan 8.230 nan 0.000 0.492 1333 S N -1.323 114.383 115.700 0.011 0.000 2.557 1333 S HA 0.355 4.815 4.470 -0.017 0.000 0.291 1333 S C 0.430 175.022 174.600 -0.012 0.000 1.116 1333 S CA -0.566 57.633 58.200 -0.002 0.000 0.992 1333 S CB 1.524 64.717 63.200 -0.011 0.000 1.028 1333 S HN 0.703 nan 8.310 nan 0.000 0.484 1334 E N 1.346 121.537 120.200 -0.016 0.000 2.095 1334 E HA -0.356 3.983 4.350 -0.017 0.000 0.212 1334 E C 1.762 178.319 176.600 -0.071 0.000 1.044 1334 E CA 2.481 58.862 56.400 -0.033 0.000 0.857 1334 E CB -0.220 29.458 29.700 -0.035 0.000 0.764 1334 E HN 0.824 nan 8.360 nan 0.000 0.462 1335 Q N 1.013 120.765 119.800 -0.080 0.000 1.935 1335 Q HA -0.265 4.064 4.340 -0.017 0.000 0.212 1335 Q C 1.735 177.660 176.000 -0.126 0.000 1.008 1335 Q CA 2.834 58.567 55.803 -0.116 0.000 0.868 1335 Q CB -0.483 28.197 28.738 -0.096 0.000 0.946 1335 Q HN 0.382 nan 8.270 nan 0.000 0.418 1336 E N 0.630 120.780 120.200 -0.083 0.000 2.086 1336 E HA -0.245 4.095 4.350 -0.017 0.000 0.200 1336 E C 1.980 178.558 176.600 -0.035 0.000 1.012 1336 E CA 1.316 57.678 56.400 -0.063 0.000 0.812 1336 E CB -0.703 28.983 29.700 -0.024 0.000 0.743 1336 E HN 0.496 nan 8.360 nan 0.000 0.453 1337 A N 2.658 125.470 122.820 -0.014 0.000 1.870 1337 A HA -0.382 3.927 4.320 -0.017 0.000 0.219 1337 A C 2.391 180.000 177.584 0.041 0.000 1.286 1337 A CA 2.740 54.793 52.037 0.028 0.000 0.682 1337 A CB -1.128 17.885 19.000 0.022 0.000 0.844 1337 A HN 0.493 nan 8.150 nan 0.000 0.460 1338 Q N -0.660 119.110 119.800 -0.050 0.000 2.234 1338 Q HA -0.196 4.133 4.340 -0.017 0.000 0.206 1338 Q C 1.767 177.802 176.000 0.058 0.000 0.980 1338 Q CA 1.934 57.676 55.803 -0.102 0.000 0.869 1338 Q CB -0.441 27.937 28.738 -0.601 0.000 0.912 1338 Q HN 0.682 nan 8.270 nan 0.000 0.436 1339 K N 0.768 121.087 120.400 -0.135 0.000 2.281 1339 K HA -0.066 4.244 4.320 -0.017 0.000 0.203 1339 K C 1.674 178.349 176.600 0.125 0.000 1.046 1339 K CA 0.980 56.985 56.287 -0.469 0.000 0.938 1339 K CB 0.144 32.386 32.500 -0.429 0.000 0.737 1339 K HN 0.308 nan 8.250 nan 0.000 0.458 1340 K N 0.171 120.711 120.400 0.233 0.000 2.426 1340 K HA 0.132 4.442 4.320 -0.017 0.000 0.193 1340 K C 0.596 177.487 176.600 0.486 0.000 1.028 1340 K CA 0.353 56.843 56.287 0.339 0.000 1.047 1340 K CB 0.431 33.067 32.500 0.227 0.000 0.821 1340 K HN 0.110 nan 8.250 nan 0.000 0.513 1341 I N 0.447 121.330 120.570 0.522 0.000 2.377 1341 I HA 0.268 4.427 4.170 -0.017 0.000 0.293 1341 I C -0.691 175.684 176.117 0.430 0.000 0.987 1341 I CA -0.876 60.766 61.300 0.569 0.000 1.185 1341 I CB 0.840 39.236 38.000 0.660 0.000 1.341 1341 I HN -0.088 nan 8.210 nan 0.000 0.455 1345 D N 3.531 123.787 120.400 -0.241 0.000 2.478 1345 D HA 0.181 4.810 4.640 -0.017 0.000 0.269 1345 D C 0.889 176.980 176.300 -0.348 0.000 1.232 1345 D CA -0.258 53.617 54.000 -0.207 0.000 1.059 1345 D CB 0.656 41.330 40.800 -0.211 0.000 1.104 1345 D HN 0.596 nan 8.370 nan 0.000 0.566 1346 K N -1.465 118.775 120.400 -0.266 0.000 2.585 1346 K HA -0.099 4.211 4.320 -0.017 0.000 0.194 1346 K C 0.313 176.841 176.600 -0.119 0.000 1.037 1346 K CA 1.026 57.195 56.287 -0.197 0.000 0.964 1346 K CB -0.593 31.746 32.500 -0.268 0.000 0.787 1346 K HN 0.484 nan 8.250 nan 0.000 0.488 1347 Y N 1.153 121.328 120.300 -0.207 0.000 2.736 1347 Y HA 0.262 4.801 4.550 -0.017 0.000 0.293 1347 Y C 0.802 176.541 175.900 -0.269 0.000 1.062 1347 Y CA -0.748 57.252 58.100 -0.166 0.000 1.247 1347 Y CB 0.779 39.172 38.460 -0.113 0.000 1.200 1347 Y HN 0.386 nan 8.280 nan 0.000 0.552 1348 G N 1.208 109.787 108.800 -0.368 0.000 2.632 1348 G HA2 -0.287 3.662 3.960 -0.017 0.000 0.224 1348 G HA3 -0.287 3.662 3.960 -0.017 0.000 0.224 1348 G C -0.949 173.269 174.900 -1.137 0.000 1.341 1348 G CA -0.455 44.313 45.100 -0.552 0.000 0.880 1348 G HN 0.350 nan 8.290 nan 0.000 0.566 1349 L N -0.603 120.405 121.223 -0.358 0.000 2.421 1349 L HA 0.723 5.053 4.340 -0.017 0.000 0.263 1349 L C 0.603 177.510 176.870 0.062 0.000 1.122 1349 L CA -1.197 53.659 54.840 0.026 0.000 0.804 1349 L CB 0.619 42.989 42.059 0.517 0.000 1.150 1349 L HN 0.602 nan 8.230 nan 0.000 0.457 1350 L N 5.237 126.543 121.223 0.138 0.000 2.387 1350 L HA 0.297 4.627 4.340 -0.017 0.000 0.267 1350 L C -0.110 176.823 176.870 0.105 0.000 1.197 1350 L CA 0.290 55.184 54.840 0.091 0.000 1.070 1350 L CB 0.170 42.266 42.059 0.062 0.000 1.349 1350 L HN 0.500 nan 8.230 nan 0.000 0.422 1351 V N 3.096 123.083 119.914 0.122 0.000 3.103 1351 V HA 0.424 4.534 4.120 -0.017 0.000 0.318 1351 V C 0.358 176.486 176.094 0.058 0.000 1.114 1351 V CA -1.103 61.267 62.300 0.116 0.000 1.020 1351 V CB 2.764 34.737 31.823 0.251 0.000 1.085 1351 V HN 0.471 nan 8.190 nan 0.000 0.446 1352 K N 1.427 121.852 120.400 0.043 0.000 2.436 1352 K HA 0.204 4.513 4.320 -0.017 0.000 0.275 1352 K C 1.118 177.737 176.600 0.033 0.000 0.999 1352 K CA 0.988 57.289 56.287 0.024 0.000 0.980 1352 K CB 0.139 32.649 32.500 0.016 0.000 0.919 1352 K HN 1.223 nan 8.250 nan 0.000 0.484 1353 G N 2.527 111.337 108.800 0.017 0.000 2.180 1353 G HA2 -0.380 3.570 3.960 -0.017 0.000 0.263 1353 G HA3 -0.380 3.570 3.960 -0.017 0.000 0.263 1353 G C 0.316 175.226 174.900 0.018 0.000 0.989 1353 G CA 1.148 46.257 45.100 0.014 0.000 0.692 1353 G HN 0.742 nan 8.290 nan 0.000 0.526 1354 R N -1.176 119.340 120.500 0.026 0.000 2.905 1354 R HA 0.488 4.818 4.340 -0.017 0.000 0.273 1354 R C 1.320 177.620 176.300 0.001 0.000 1.033 1354 R CA 0.333 56.448 56.100 0.025 0.000 1.182 1354 R CB 0.353 30.675 30.300 0.037 0.000 1.097 1354 R HN -0.023 nan 8.270 nan 0.000 0.504 1355 K N 0.431 120.824 120.400 -0.011 0.000 2.155 1355 K HA 0.088 4.398 4.320 -0.017 0.000 0.203 1355 K C 0.749 177.300 176.600 -0.081 0.000 1.052 1355 K CA 1.436 57.697 56.287 -0.043 0.000 0.948 1355 K CB -0.332 32.138 32.500 -0.050 0.000 0.728 1355 K HN 0.680 nan 8.250 nan 0.000 0.448 1356 A N 1.078 123.848 122.820 -0.084 0.000 2.267 1356 A HA 0.292 4.601 4.320 -0.017 0.000 0.271 1356 A C -0.474 177.096 177.584 -0.023 0.000 1.131 1356 A CA -0.297 51.667 52.037 -0.123 0.000 0.818 1356 A CB 0.208 19.194 19.000 -0.023 0.000 1.118 1356 A HN -0.035 nan 8.150 nan 0.000 0.501 1357 K N 0.538 120.952 120.400 0.023 0.000 2.262 1357 K HA 0.479 4.789 4.320 -0.017 0.000 0.282 1357 K C -1.243 175.386 176.600 0.048 0.000 1.066 1357 K CA -0.089 56.217 56.287 0.030 0.000 0.901 1357 K CB 0.404 32.919 32.500 0.027 0.000 1.089 1357 K HN 0.397 nan 8.250 nan 0.000 0.476 1358 I N 3.023 123.602 120.570 0.015 0.000 2.336 1358 I HA 0.071 4.230 4.170 -0.017 0.000 0.292 1358 I C 0.640 176.745 176.117 -0.020 0.000 0.991 1358 I CA -0.668 60.634 61.300 0.004 0.000 1.227 1358 I CB 0.969 38.969 38.000 0.001 0.000 1.366 1358 I HN 0.520 nan 8.210 nan 0.000 0.466 1359 D N 3.935 124.318 120.400 -0.028 0.000 2.348 1359 D HA 0.148 4.777 4.640 -0.017 0.000 0.249 1359 D C 0.884 177.143 176.300 -0.068 0.000 1.110 1359 D CA -0.371 53.597 54.000 -0.054 0.000 0.967 1359 D CB 1.243 42.011 40.800 -0.052 0.000 1.139 1359 D HN 0.496 nan 8.370 nan 0.000 0.466 1360 S N 0.980 116.603 115.700 -0.129 0.000 2.365 1360 S HA -0.270 4.189 4.470 -0.017 0.000 0.225 1360 S C 2.006 176.498 174.600 -0.180 0.000 1.039 1360 S CA 1.143 59.227 58.200 -0.194 0.000 1.033 1360 S CB -1.097 61.908 63.200 -0.324 0.000 0.887 1360 S HN 0.645 nan 8.310 nan 0.000 0.447 1361 Y N 1.980 122.183 120.300 -0.162 0.000 2.421 1361 Y HA -0.056 4.484 4.550 -0.017 0.000 0.292 1361 Y C 2.857 178.708 175.900 -0.081 0.000 1.136 1361 Y CA 0.945 58.934 58.100 -0.186 0.000 1.255 1361 Y CB -0.231 37.972 38.460 -0.428 0.000 0.991 1361 Y HN 0.338 nan 8.280 nan 0.000 0.552 1362 Q N -0.273 119.566 119.800 0.066 0.000 2.354 1362 Q HA -0.113 4.217 4.340 -0.017 0.000 0.203 1362 Q C 1.912 177.986 176.000 0.124 0.000 0.933 1362 Q CA 0.504 56.349 55.803 0.071 0.000 0.901 1362 Q CB 0.186 28.923 28.738 -0.001 0.000 1.007 1362 Q HN 0.519 nan 8.270 nan 0.000 0.495 1363 E N 0.790 121.023 120.200 0.056 0.000 2.048 1363 E HA -0.198 4.142 4.350 -0.017 0.000 0.202 1363 E C -0.965 175.641 176.600 0.010 0.000 1.021 1363 E CA 1.208 57.617 56.400 0.016 0.000 0.825 1363 E CB -1.993 27.687 29.700 -0.033 0.000 0.756 1363 E HN 0.351 nan 8.360 nan 0.000 0.454 1364 P HA -0.082 nan 4.420 nan 0.000 0.249 1364 P C 0.097 177.091 177.300 -0.509 0.000 1.227 1364 P CA 1.009 63.952 63.100 -0.262 0.000 0.753 1364 P CB -0.496 30.994 31.700 -0.351 0.000 0.966 1365 F N -3.753 116.171 119.950 -0.043 0.000 2.915 1365 F HA 0.137 4.654 4.527 -0.017 0.000 0.347 1365 F C 0.665 176.212 175.800 -0.422 0.000 1.104 1365 F CA -0.046 57.840 58.000 -0.190 0.000 1.126 1365 F CB -0.187 38.732 39.000 -0.134 0.000 1.145 1365 F HN -0.361 nan 8.300 nan 0.000 0.541 1366 T N 1.720 116.236 114.554 -0.062 0.000 3.598 1366 T HA 0.188 4.527 4.350 -0.017 0.000 0.343 1366 T C 0.132 174.757 174.700 -0.126 0.000 1.697 1366 T CA -0.220 61.819 62.100 -0.101 0.000 1.247 1366 T CB -0.679 68.181 68.868 -0.013 0.000 1.210 1366 T HN -0.023 nan 8.240 nan 0.000 0.820 1367 H N 1.311 120.100 119.070 -0.467 0.000 2.503 1367 H HA 0.205 4.750 4.556 -0.017 0.000 0.375 1367 H C 0.830 175.983 175.328 -0.292 0.000 1.801 1367 H CA -0.598 55.119 56.048 -0.553 0.000 1.450 1367 H CB 0.115 29.189 29.762 -1.147 0.000 1.601 1367 H HN 0.328 nan 8.280 nan 0.000 0.581 1368 S N -0.019 115.663 115.700 -0.031 0.000 2.523 1368 S HA 0.440 4.900 4.470 -0.017 0.000 0.275 1368 S C 0.280 174.987 174.600 0.178 0.000 1.281 1368 S CA -0.564 57.666 58.200 0.051 0.000 1.050 1368 S CB 0.861 64.080 63.200 0.032 0.000 0.937 1368 S HN 0.809 nan 8.310 nan 0.000 0.492 1369 A N 5.076 128.008 122.820 0.186 0.000 2.583 1369 A HA 0.240 4.549 4.320 -0.017 0.000 0.249 1369 A C -1.597 176.132 177.584 0.243 0.000 1.035 1369 A CA -0.583 51.601 52.037 0.244 0.000 0.777 1369 A CB -0.818 18.276 19.000 0.156 0.000 0.942 1369 A HN 0.611 nan 8.150 nan 0.000 0.516 1370 P HA 0.178 nan 4.420 nan 0.000 0.278 1370 P C 0.765 178.127 177.300 0.104 0.000 1.238 1370 P CA -0.356 62.855 63.100 0.185 0.000 0.794 1370 P CB 1.011 32.779 31.700 0.113 0.000 0.955 1371 E N 2.265 122.509 120.200 0.074 0.000 2.351 1371 E HA -0.243 4.096 4.350 -0.017 0.000 0.249 1371 E C 0.390 177.017 176.600 0.044 0.000 1.062 1371 E CA 2.140 58.570 56.400 0.050 0.000 1.066 1371 E CB -0.979 28.740 29.700 0.031 0.000 0.955 1371 E HN 0.654 nan 8.360 nan 0.000 0.504 1372 S N -0.569 115.148 115.700 0.030 0.000 2.508 1372 S HA 0.529 4.989 4.470 -0.017 0.000 0.284 1372 S C -0.090 174.531 174.600 0.036 0.000 1.192 1372 S CA -0.947 57.268 58.200 0.026 0.000 1.070 1372 S CB 1.594 64.797 63.200 0.006 0.000 1.004 1372 S HN 0.150 nan 8.310 nan 0.000 0.493 1373 I N 3.700 124.302 120.570 0.053 0.000 2.354 1373 I HA 0.406 4.566 4.170 -0.017 0.000 0.292 1373 I C -2.071 174.093 176.117 0.079 0.000 0.989 1373 I CA -2.407 58.941 61.300 0.081 0.000 1.188 1373 I CB 1.384 39.445 38.000 0.103 0.000 1.342 1373 I HN 0.565 nan 8.210 nan 0.000 0.457 1374 P HA 0.078 nan 4.420 nan 0.000 0.265 1374 P C -0.039 177.365 177.300 0.173 0.000 1.222 1374 P CA -0.004 63.145 63.100 0.083 0.000 0.767 1374 P CB 0.605 32.328 31.700 0.039 0.000 0.801 1375 D N 1.831 122.303 120.400 0.120 0.000 2.340 1375 D HA -0.008 4.621 4.640 -0.017 0.000 0.220 1375 D C -0.492 175.912 176.300 0.173 0.000 1.039 1375 D CA 0.296 54.394 54.000 0.163 0.000 0.866 1375 D CB 0.473 41.334 40.800 0.101 0.000 0.913 1375 D HN 0.204 nan 8.370 nan 0.000 0.523 1376 T N -0.163 114.423 114.554 0.054 0.000 2.894 1376 T HA 0.159 4.499 4.350 -0.017 0.000 0.309 1376 T C -0.119 174.367 174.700 -0.357 0.000 1.208 1376 T CA -0.681 61.370 62.100 -0.082 0.000 1.016 1376 T CB 1.719 70.565 68.868 -0.036 0.000 1.192 1376 T HN -0.144 nan 8.240 nan 0.000 0.491 1377 F N 2.388 121.911 119.950 -0.712 0.000 2.026 1377 F HA -0.093 4.424 4.527 -0.017 0.000 0.296 1377 F C 2.502 178.070 175.800 -0.387 0.000 1.133 1377 F CA 2.371 59.925 58.000 -0.742 0.000 1.188 1377 F CB -0.158 38.555 39.000 -0.479 0.000 0.968 1377 F HN 0.860 nan 8.300 nan 0.000 0.476 1378 E N 0.040 120.076 120.200 -0.273 0.000 2.086 1378 E HA -0.320 4.019 4.350 -0.017 0.000 0.200 1378 E C 1.831 178.253 176.600 -0.297 0.000 1.012 1378 E CA 2.153 58.374 56.400 -0.299 0.000 0.812 1378 E CB -0.465 29.157 29.700 -0.130 0.000 0.743 1378 E HN 0.457 nan 8.360 nan 0.000 0.453 1379 D N 0.180 120.449 120.400 -0.219 0.000 2.117 1379 D HA -0.115 4.515 4.640 -0.017 0.000 0.197 1379 D C 1.806 177.980 176.300 -0.211 0.000 0.987 1379 D CA 1.758 55.658 54.000 -0.167 0.000 0.829 1379 D CB -0.361 40.386 40.800 -0.088 0.000 0.961 1379 D HN 0.367 nan 8.370 nan 0.000 0.460 1380 A N 0.134 122.783 122.820 -0.283 0.000 2.066 1380 A HA -0.037 4.272 4.320 -0.017 0.000 0.218 1380 A C 2.338 179.691 177.584 -0.385 0.000 1.157 1380 A CA 0.498 52.368 52.037 -0.279 0.000 0.670 1380 A CB -0.394 18.477 19.000 -0.215 0.000 0.804 1380 A HN 0.131 nan 8.150 nan 0.000 0.453 1381 V N 0.902 120.508 119.914 -0.512 0.000 2.407 1381 V HA -0.240 3.869 4.120 -0.017 0.000 0.248 1381 V C 2.256 178.146 176.094 -0.341 0.000 1.055 1381 V CA 2.104 64.085 62.300 -0.532 0.000 1.049 1381 V CB -0.691 30.746 31.823 -0.643 0.000 0.662 1381 V HN 0.598 nan 8.190 nan 0.000 0.455 1382 N N 0.265 118.802 118.700 -0.272 0.000 2.124 1382 N HA 0.014 4.743 4.740 -0.017 0.000 0.188 1382 N C 1.850 177.251 175.510 -0.182 0.000 1.045 1382 N CA 1.618 54.551 53.050 -0.195 0.000 0.846 1382 N CB -0.292 38.103 38.487 -0.153 0.000 1.020 1382 N HN 0.383 nan 8.380 nan 0.000 0.432 1383 I N 1.152 121.614 120.570 -0.179 0.000 2.236 1383 I HA -0.253 3.907 4.170 -0.017 0.000 0.249 1383 I C 1.875 177.857 176.117 -0.225 0.000 1.102 1383 I CA 1.061 62.261 61.300 -0.167 0.000 1.365 1383 I CB -0.210 37.699 38.000 -0.150 0.000 1.051 1383 I HN 0.105 nan 8.210 nan 0.000 0.420 1384 L N 0.316 121.359 121.223 -0.301 0.000 2.221 1384 L HA 0.073 4.403 4.340 -0.017 0.000 0.202 1384 L C 0.945 177.664 176.870 -0.253 0.000 1.074 1384 L CA 1.034 55.647 54.840 -0.377 0.000 0.795 1384 L CB -0.840 40.914 42.059 -0.509 0.000 0.960 1384 L HN 0.246 nan 8.230 nan 0.000 0.458 1385 K N 0.386 120.647 120.400 -0.232 0.000 3.974 1385 K HA -0.140 4.169 4.320 -0.017 0.000 0.280 1385 K C -2.332 174.181 176.600 -0.145 0.000 0.949 1385 K CA -0.113 56.069 56.287 -0.175 0.000 0.817 1385 K CB -1.068 31.355 32.500 -0.128 0.000 1.535 1385 K HN 0.259 nan 8.250 nan 0.000 0.444 1386 P HA 0.053 nan 4.420 nan 0.000 0.279 1386 P C 0.563 177.821 177.300 -0.071 0.000 1.252 1386 P CA -0.338 62.698 63.100 -0.106 0.000 0.811 1386 P CB 1.680 33.303 31.700 -0.129 0.000 1.035 1387 S N 0.921 116.614 115.700 -0.012 0.000 2.336 1387 S HA 0.011 4.470 4.470 -0.017 0.000 0.216 1387 S C 0.721 175.316 174.600 -0.008 0.000 1.032 1387 S CA 0.841 59.052 58.200 0.018 0.000 0.973 1387 S CB -1.308 61.960 63.200 0.114 0.000 0.888 1387 S HN 0.551 nan 8.310 nan 0.000 0.455 1388 T N 2.130 116.665 114.554 -0.031 0.000 2.928 1388 T HA 0.727 5.066 4.350 -0.017 0.000 0.284 1388 T C -0.856 173.772 174.700 -0.120 0.000 1.008 1388 T CA -0.462 61.590 62.100 -0.079 0.000 1.057 1388 T CB 1.505 70.278 68.868 -0.157 0.000 1.018 1388 T HN 0.249 nan 8.240 nan 0.000 0.493 1389 I N 1.312 121.834 120.570 -0.080 0.000 2.828 1389 I HA 0.644 4.803 4.170 -0.017 0.000 0.302 1389 I C -1.536 174.634 176.117 0.088 0.000 1.101 1389 I CA -1.290 59.982 61.300 -0.047 0.000 1.031 1389 I CB 1.975 39.903 38.000 -0.119 0.000 1.231 1389 I HN 0.640 nan 8.210 nan 0.000 0.427 1390 I N 4.966 125.641 120.570 0.175 0.000 2.560 1390 I HA 0.363 4.523 4.170 -0.017 0.000 0.283 1390 I C 0.054 176.404 176.117 0.388 0.000 1.115 1390 I CA -0.280 61.161 61.300 0.236 0.000 1.066 1390 I CB 1.979 39.856 38.000 -0.205 0.000 1.221 1390 I HN 0.665 nan 8.210 nan 0.000 0.450 1391 G N 4.998 113.906 108.800 0.179 0.000 2.741 1391 G HA2 0.374 4.324 3.960 -0.017 0.000 0.301 1391 G HA3 0.374 4.324 3.960 -0.017 0.000 0.301 1391 G C 0.288 175.149 174.900 -0.065 0.000 0.834 1391 G CA 0.016 44.954 45.100 -0.270 0.000 1.683 1391 G HN 0.452 nan 8.290 nan 0.000 0.506 1392 V N 2.157 122.102 119.914 0.053 0.000 3.085 1392 V HA 0.202 4.311 4.120 -0.017 0.000 0.345 1392 V C 1.701 177.807 176.094 0.021 0.000 1.397 1392 V CA 0.633 62.975 62.300 0.069 0.000 1.165 1392 V CB 0.378 32.299 31.823 0.163 0.000 1.153 1392 V HN 0.739 nan 8.190 nan 0.000 0.495 1393 A N -0.030 122.777 122.820 -0.020 0.000 2.095 1393 A HA 0.424 4.734 4.320 -0.017 0.000 0.212 1393 A C 2.048 179.609 177.584 -0.038 0.000 1.162 1393 A CA 0.845 52.864 52.037 -0.029 0.000 0.753 1393 A CB -0.254 18.724 19.000 -0.037 0.000 0.840 1393 A HN 1.232 nan 8.150 nan 0.000 0.468 1394 G N -1.227 107.544 108.800 -0.048 0.000 2.296 1394 G HA2 -0.137 3.812 3.960 -0.017 0.000 0.282 1394 G HA3 -0.137 3.812 3.960 -0.017 0.000 0.282 1394 G C 0.916 175.794 174.900 -0.037 0.000 1.014 1394 G CA 0.860 45.935 45.100 -0.041 0.000 0.812 1394 G HN 1.422 nan 8.290 nan 0.000 0.508 1395 A N -1.383 121.413 122.820 -0.041 0.000 2.147 1395 A HA 0.667 4.977 4.320 -0.017 0.000 0.211 1395 A C 1.960 179.532 177.584 -0.020 0.000 1.160 1395 A CA 1.812 53.834 52.037 -0.025 0.000 0.781 1395 A CB 0.128 19.118 19.000 -0.016 0.000 0.842 1395 A HN 2.520 nan 8.150 nan 0.000 0.475 1396 G N -0.533 108.246 108.800 -0.035 0.000 2.265 1396 G HA2 0.027 3.977 3.960 -0.017 0.000 0.246 1396 G HA3 0.027 3.977 3.960 -0.017 0.000 0.246 1396 G C -1.061 173.818 174.900 -0.035 0.000 1.299 1396 G CA -0.857 44.230 45.100 -0.022 0.000 1.117 1396 G HN 0.239 nan 8.290 nan 0.000 0.485 1397 R N 0.866 121.365 120.500 -0.002 0.000 2.429 1397 R HA 0.332 4.662 4.340 -0.017 0.000 0.302 1397 R C 0.137 176.470 176.300 0.055 0.000 1.268 1397 R CA -0.097 56.011 56.100 0.014 0.000 1.090 1397 R CB 0.162 30.481 30.300 0.033 0.000 1.102 1397 R HN 0.277 nan 8.270 nan 0.000 0.522 1398 L N 1.217 122.483 121.223 0.073 0.000 2.766 1398 L HA 0.240 4.570 4.340 -0.017 0.000 0.242 1398 L C 0.570 177.693 176.870 0.421 0.000 1.136 1398 L CA 0.540 55.480 54.840 0.166 0.000 0.933 1398 L CB 0.167 42.269 42.059 0.073 0.000 1.241 1398 L HN 0.454 nan 8.230 nan 0.000 0.522 1399 F N 0.920 120.910 119.950 0.067 0.000 2.759 1399 F HA 0.154 4.671 4.527 -0.017 0.000 0.322 1399 F C 1.421 177.261 175.800 0.067 0.000 1.199 1399 F CA -0.825 57.253 58.000 0.130 0.000 1.272 1399 F CB 0.045 39.117 39.000 0.120 0.000 1.467 1399 F HN 0.009 nan 8.300 nan 0.000 0.561 1400 T N -0.614 114.070 114.554 0.217 0.000 2.709 1400 T HA -0.071 4.268 4.350 -0.017 0.000 0.345 1400 T C -1.058 173.681 174.700 0.064 0.000 1.086 1400 T CA -1.082 61.084 62.100 0.109 0.000 1.084 1400 T CB 0.779 69.694 68.868 0.078 0.000 1.000 1400 T HN 0.143 nan 8.240 nan 0.000 0.549 1401 P HA -0.061 nan 4.420 nan 0.000 0.219 1401 P C 0.747 178.042 177.300 -0.008 0.000 1.146 1401 P CA 1.237 64.339 63.100 0.003 0.000 0.808 1401 P CB 0.020 31.718 31.700 -0.004 0.000 0.779 1402 D N -0.378 120.019 120.400 -0.006 0.000 2.085 1402 D HA -0.089 4.540 4.640 -0.017 0.000 0.199 1402 D C 2.195 178.466 176.300 -0.049 0.000 0.981 1402 D CA 0.718 54.702 54.000 -0.026 0.000 0.834 1402 D CB -1.120 39.666 40.800 -0.023 0.000 0.992 1402 D HN -0.125 nan 8.370 nan 0.000 0.457 1403 V N 0.993 120.885 119.914 -0.035 0.000 2.370 1403 V HA -0.268 3.842 4.120 -0.017 0.000 0.252 1403 V C 2.218 178.245 176.094 -0.111 0.000 1.068 1403 V CA 1.356 63.606 62.300 -0.083 0.000 1.061 1403 V CB -0.406 31.436 31.823 0.032 0.000 0.656 1403 V HN 0.177 nan 8.190 nan 0.000 0.455 1404 I N 0.030 120.575 120.570 -0.043 0.000 2.130 1404 I HA -0.207 3.953 4.170 -0.017 0.000 0.232 1404 I C 2.748 178.828 176.117 -0.062 0.000 1.064 1404 I CA 1.865 63.139 61.300 -0.044 0.000 1.338 1404 I CB -0.846 37.144 38.000 -0.016 0.000 1.084 1404 I HN 0.285 nan 8.210 nan 0.000 0.404 1405 R N 2.437 122.909 120.500 -0.047 0.000 2.159 1405 R HA -0.198 4.132 4.340 -0.017 0.000 0.252 1405 R C 1.465 177.727 176.300 -0.062 0.000 1.144 1405 R CA 1.454 57.526 56.100 -0.046 0.000 0.961 1405 R CB -1.420 28.858 30.300 -0.036 0.000 0.877 1405 R HN 0.328 nan 8.270 nan 0.000 0.444 1409 S N 1.030 116.701 115.700 -0.047 0.000 2.363 1409 S HA -0.158 4.301 4.470 -0.017 0.000 0.218 1409 S C 1.936 176.508 174.600 -0.047 0.000 1.035 1409 S CA 1.784 59.958 58.200 -0.044 0.000 1.043 1409 S CB -0.890 62.281 63.200 -0.049 0.000 0.986 1409 S HN 0.634 nan 8.310 nan 0.000 0.423 1410 I N 2.408 122.940 120.570 -0.063 0.000 2.182 1410 I HA -0.222 3.938 4.170 -0.017 0.000 0.248 1410 I C 0.440 176.527 176.117 -0.051 0.000 1.073 1410 I CA 1.297 62.557 61.300 -0.066 0.000 1.335 1410 I CB -0.786 37.159 38.000 -0.093 0.000 1.031 1410 I HN 0.454 nan 8.210 nan 0.000 0.420 1411 N N 0.822 119.495 118.700 -0.046 0.000 2.321 1411 N HA 0.169 4.899 4.740 -0.017 0.000 0.299 1411 N C 0.302 175.801 175.510 -0.019 0.000 1.048 1411 N CA -0.405 52.627 53.050 -0.029 0.000 0.836 1411 N CB 2.191 40.664 38.487 -0.024 0.000 1.269 1411 N HN -0.032 nan 8.380 nan 0.000 0.486 1412 E N 0.784 120.976 120.200 -0.013 0.000 2.152 1412 E HA 0.027 4.367 4.350 -0.017 0.000 0.192 1412 E C -0.115 176.485 176.600 -0.001 0.000 0.983 1412 E CA 1.170 57.565 56.400 -0.008 0.000 0.818 1412 E CB 0.349 30.044 29.700 -0.008 0.000 0.758 1412 E HN 0.332 nan 8.360 nan 0.000 0.467 1413 R N 0.606 121.109 120.500 0.006 0.000 2.585 1413 R HA 0.277 4.607 4.340 -0.017 0.000 0.278 1413 R C -2.644 173.674 176.300 0.029 0.000 1.663 1413 R CA -1.699 54.411 56.100 0.018 0.000 1.592 1413 R CB 1.265 31.577 30.300 0.020 0.000 1.200 1413 R HN 0.047 nan 8.270 nan 0.000 0.611 1414 P HA 0.161 nan 4.420 nan 0.000 0.278 1414 P C -0.196 177.145 177.300 0.069 0.000 1.238 1414 P CA -0.415 62.701 63.100 0.027 0.000 0.794 1414 P CB 1.068 32.766 31.700 -0.002 0.000 0.955 1415 V N 3.529 123.494 119.914 0.085 0.000 2.370 1415 V HA 0.492 4.601 4.120 -0.017 0.000 0.283 1415 V C 0.315 176.551 176.094 0.237 0.000 1.023 1415 V CA -0.636 61.771 62.300 0.178 0.000 0.857 1415 V CB 0.952 32.855 31.823 0.133 0.000 0.985 1415 V HN 0.428 nan 8.190 nan 0.000 0.443 1416 I N 1.566 122.351 120.570 0.358 0.000 2.466 1416 I HA 0.693 4.852 4.170 -0.017 0.000 0.289 1416 I C -1.897 174.532 176.117 0.520 0.000 1.026 1416 I CA -0.837 60.728 61.300 0.443 0.000 1.078 1416 I CB 1.736 39.965 38.000 0.382 0.000 1.249 1416 I HN 0.426 nan 8.210 nan 0.000 0.429 1417 F N 4.956 125.041 119.950 0.226 0.000 2.553 1417 F HA 0.693 5.209 4.527 -0.018 0.000 0.335 1417 F C 0.236 176.080 175.800 0.074 0.000 1.148 1417 F CA -0.728 57.308 58.000 0.060 0.000 0.963 1417 F CB 2.240 41.257 39.000 0.028 0.000 1.217 1417 F HN 0.719 nan 8.300 nan 0.000 0.441 1418 A N 4.877 127.749 122.820 0.087 0.000 2.511 1418 A HA 0.521 4.831 4.320 -0.017 0.000 0.340 1418 A C 0.472 178.058 177.584 0.004 0.000 1.396 1418 A CA -0.358 51.651 52.037 -0.045 0.000 0.887 1418 A CB -0.044 18.941 19.000 -0.025 0.000 1.145 1418 A HN 0.650 nan 8.150 nan 0.000 0.497 1419 L N 0.982 122.225 121.223 0.033 0.000 2.240 1419 L HA 0.038 4.367 4.340 -0.017 0.000 0.211 1419 L C 1.309 178.188 176.870 0.015 0.000 1.106 1419 L CA 0.792 55.662 54.840 0.051 0.000 0.793 1419 L CB -1.898 40.222 42.059 0.102 0.000 0.927 1419 L HN 0.521 nan 8.230 nan 0.000 0.446 1420 S N 1.725 117.414 115.700 -0.017 0.000 2.599 1420 S HA 0.022 4.482 4.470 -0.017 0.000 0.303 1420 S C 0.517 175.104 174.600 -0.022 0.000 1.267 1420 S CA 0.260 58.444 58.200 -0.027 0.000 1.055 1420 S CB 0.131 63.298 63.200 -0.056 0.000 0.790 1420 S HN 0.381 nan 8.310 nan 0.000 0.500 1421 N N 2.287 120.971 118.700 -0.027 0.000 2.284 1421 N HA 0.468 5.197 4.740 -0.017 0.000 0.289 1421 N C -2.370 173.114 175.510 -0.043 0.000 1.179 1421 N CA -1.285 51.741 53.050 -0.040 0.000 0.774 1421 N CB 1.546 40.008 38.487 -0.042 0.000 1.548 1421 N HN 0.305 nan 8.380 nan 0.000 0.473 1422 P HA 0.070 nan 4.420 nan 0.000 0.330 1422 P C 0.415 177.674 177.300 -0.069 0.000 1.377 1422 P CA 0.359 63.420 63.100 -0.065 0.000 0.793 1422 P CB -0.092 31.571 31.700 -0.061 0.000 1.813 1423 T N -1.672 112.827 114.554 -0.091 0.000 3.252 1423 T HA 0.268 4.608 4.350 -0.017 0.000 0.250 1423 T C 1.438 176.136 174.700 -0.003 0.000 1.123 1423 T CA 0.604 62.640 62.100 -0.107 0.000 1.006 1423 T CB -0.545 68.205 68.868 -0.198 0.000 0.992 1423 T HN 0.410 nan 8.240 nan 0.000 0.547 1424 A N 0.823 123.639 122.820 -0.006 0.000 1.993 1424 A HA 0.192 4.501 4.320 -0.017 0.000 0.207 1424 A C 2.154 179.744 177.584 0.011 0.000 1.224 1424 A CA 0.097 52.141 52.037 0.012 0.000 0.749 1424 A CB 0.041 19.040 19.000 -0.002 0.000 0.884 1424 A HN 0.214 nan 8.150 nan 0.000 0.467 1425 Q N 0.237 120.034 119.800 -0.006 0.000 2.425 1425 Q HA 0.364 4.693 4.340 -0.017 0.000 0.204 1425 Q C 0.831 176.818 176.000 -0.021 0.000 0.933 1425 Q CA 0.394 56.187 55.803 -0.017 0.000 0.939 1425 Q CB -0.648 28.074 28.738 -0.027 0.000 1.044 1425 Q HN 0.563 nan 8.270 nan 0.000 0.513 1426 A N 1.206 124.033 122.820 0.013 0.000 2.580 1426 A HA -0.068 4.241 4.320 -0.017 0.000 0.244 1426 A C 0.820 178.391 177.584 -0.022 0.000 1.045 1426 A CA 0.048 52.109 52.037 0.041 0.000 0.761 1426 A CB 0.257 19.376 19.000 0.197 0.000 0.962 1426 A HN 0.073 nan 8.150 nan 0.000 0.512 1427 E N 0.403 120.507 120.200 -0.160 0.000 2.401 1427 E HA -0.013 4.326 4.350 -0.017 0.000 0.199 1427 E C 0.868 177.391 176.600 -0.129 0.000 1.023 1427 E CA 1.283 57.493 56.400 -0.318 0.000 0.859 1427 E CB -0.593 28.495 29.700 -1.020 0.000 0.780 1427 E HN 0.924 nan 8.360 nan 0.000 0.523 1428 C N -4.496 114.790 119.300 -0.023 0.000 3.158 1428 C HA 0.736 5.186 4.460 -0.017 0.000 0.354 1428 C C -0.222 174.755 174.990 -0.023 0.000 2.958 1428 C CA -0.143 58.879 59.018 0.007 0.000 1.154 1428 C CB 1.246 29.013 27.740 0.045 0.000 3.290 1428 C HN 0.197 nan 8.230 nan 0.000 0.400 1429 T N -1.480 112.924 114.554 -0.250 0.000 2.802 1429 T HA 0.633 4.972 4.350 -0.017 0.000 0.311 1429 T C 0.807 174.901 174.700 -1.009 0.000 1.405 1429 T CA 0.813 62.558 62.100 -0.592 0.000 1.016 1429 T CB 1.149 69.627 68.868 -0.650 0.000 1.352 1429 T HN 2.349 nan 8.240 nan 0.000 0.498 1430 A N 1.153 123.239 122.820 -1.224 0.000 1.948 1430 A HA -0.031 4.278 4.320 -0.017 0.000 0.220 1430 A C 1.986 179.182 177.584 -0.646 0.000 1.177 1430 A CA 2.653 53.977 52.037 -1.188 0.000 0.636 1430 A CB -1.243 17.598 19.000 -0.266 0.000 0.815 1430 A HN 1.010 nan 8.150 nan 0.000 0.449 1431 E N 0.697 120.640 120.200 -0.429 0.000 1.998 1431 E HA -0.215 4.124 4.350 -0.017 0.000 0.196 1431 E C 1.681 178.149 176.600 -0.220 0.000 1.003 1431 E CA 1.811 58.086 56.400 -0.208 0.000 0.829 1431 E CB -0.562 29.030 29.700 -0.179 0.000 0.777 1431 E HN 0.675 nan 8.360 nan 0.000 0.460 1432 E N 0.146 120.195 120.200 -0.251 0.000 2.448 1432 E HA -0.194 4.146 4.350 -0.017 0.000 0.203 1432 E C 1.530 177.995 176.600 -0.225 0.000 1.046 1432 E CA 0.578 56.867 56.400 -0.185 0.000 0.871 1432 E CB -0.141 29.468 29.700 -0.150 0.000 0.790 1432 E HN 0.412 nan 8.360 nan 0.000 0.545 1433 A N 0.618 123.195 122.820 -0.405 0.000 1.941 1433 A HA 0.025 4.335 4.320 -0.017 0.000 0.214 1433 A C 1.749 179.151 177.584 -0.304 0.000 1.368 1433 A CA 0.215 51.960 52.037 -0.487 0.000 0.651 1433 A CB -0.728 17.616 19.000 -1.094 0.000 1.064 1433 A HN 0.212 nan 8.150 nan 0.000 0.492 1434 Y N 1.559 121.769 120.300 -0.150 0.000 2.224 1434 Y HA -0.236 4.303 4.550 -0.018 0.000 0.289 1434 Y C 3.168 179.091 175.900 0.038 0.000 1.146 1434 Y CA 1.703 59.802 58.100 -0.001 0.000 1.182 1434 Y CB -0.438 38.120 38.460 0.164 0.000 0.983 1434 Y HN 0.549 nan 8.280 nan 0.000 0.524 1435 T N -1.444 113.194 114.554 0.140 0.000 2.698 1435 T HA -0.158 4.181 4.350 -0.017 0.000 0.260 1435 T C 1.378 176.102 174.700 0.041 0.000 1.044 1435 T CA 0.818 62.967 62.100 0.083 0.000 1.149 1435 T CB -0.823 68.061 68.868 0.026 0.000 0.864 1435 T HN 0.082 nan 8.240 nan 0.000 0.419 1436 L N 3.007 124.228 121.223 -0.002 0.000 2.821 1436 L HA 0.223 4.552 4.340 -0.017 0.000 0.254 1436 L C 1.607 178.474 176.870 -0.006 0.000 1.151 1436 L CA 1.325 56.157 54.840 -0.013 0.000 0.937 1436 L CB -1.064 40.974 42.059 -0.035 0.000 1.141 1436 L HN 0.833 nan 8.230 nan 0.000 0.425 1437 T N -7.253 107.315 114.554 0.022 0.000 3.515 1437 T HA 0.079 4.419 4.350 -0.017 0.000 0.306 1437 T C 0.479 175.213 174.700 0.057 0.000 0.881 1437 T CA -0.247 61.869 62.100 0.027 0.000 0.930 1437 T CB 0.058 68.937 68.868 0.018 0.000 1.206 1437 T HN 0.063 nan 8.240 nan 0.000 0.662 1438 E N 1.157 121.406 120.200 0.081 0.000 2.805 1438 E HA -0.221 4.118 4.350 -0.017 0.000 0.266 1438 E C 1.004 177.685 176.600 0.134 0.000 1.092 1438 E CA 1.330 57.793 56.400 0.104 0.000 0.781 1438 E CB -2.089 27.648 29.700 0.063 0.000 1.379 1438 E HN 1.680 nan 8.360 nan 0.000 0.433 1439 G N 0.234 109.126 108.800 0.154 0.000 2.289 1439 G HA2 -0.355 3.595 3.960 -0.017 0.000 0.280 1439 G HA3 -0.355 3.595 3.960 -0.017 0.000 0.280 1439 G C 0.626 175.492 174.900 -0.056 0.000 1.089 1439 G CA 0.464 45.566 45.100 0.002 0.000 0.939 1439 G HN 0.289 nan 8.290 nan 0.000 0.499 1440 R N -1.120 119.393 120.500 0.021 0.000 2.316 1440 R HA 0.167 4.497 4.340 -0.017 0.000 0.201 1440 R C 2.044 178.356 176.300 0.021 0.000 0.888 1440 R CA 0.903 57.006 56.100 0.004 0.000 1.041 1440 R CB 0.005 30.311 30.300 0.011 0.000 1.115 1440 R HN 0.828 nan 8.270 nan 0.000 0.559 1441 C N -0.145 119.188 119.300 0.054 0.000 2.396 1441 C HA 0.629 5.079 4.460 -0.017 0.000 0.359 1441 C C 0.257 175.316 174.990 0.115 0.000 1.307 1441 C CA -1.051 58.006 59.018 0.065 0.000 2.392 1441 C CB -0.039 27.719 27.740 0.030 0.000 2.245 1441 C HN 0.129 nan 8.230 nan 0.000 0.615 1442 L N 1.575 122.870 121.223 0.121 0.000 2.417 1442 L HA 0.402 4.732 4.340 -0.017 0.000 0.259 1442 L C -0.226 176.705 176.870 0.102 0.000 1.023 1442 L CA 0.118 55.040 54.840 0.136 0.000 0.901 1442 L CB 0.305 42.443 42.059 0.132 0.000 1.227 1442 L HN 0.724 nan 8.230 nan 0.000 0.454 1443 F N 2.874 122.734 119.950 -0.149 0.000 2.370 1443 F HA 0.791 5.308 4.527 -0.017 0.000 0.324 1443 F C 0.202 175.737 175.800 -0.442 0.000 1.116 1443 F CA -0.713 57.078 58.000 -0.348 0.000 1.123 1443 F CB 1.339 39.924 39.000 -0.692 0.000 1.238 1443 F HN 0.419 nan 8.300 nan 0.000 0.536 1444 A N 3.241 124.988 122.820 -1.788 0.000 2.511 1444 A HA 0.518 4.828 4.320 -0.017 0.000 0.292 1444 A C -1.162 175.633 177.584 -1.314 0.000 1.045 1444 A CA -0.168 50.943 52.037 -1.543 0.000 0.870 1444 A CB 0.221 17.997 19.000 -2.039 0.000 1.361 1444 A HN 1.074 nan 8.150 nan 0.000 0.396 1445 S N 1.092 116.269 115.700 -0.871 0.000 2.621 1445 S HA 0.762 5.222 4.470 -0.017 0.000 0.302 1445 S C 1.011 175.573 174.600 -0.063 0.000 1.093 1445 S CA 0.054 58.080 58.200 -0.290 0.000 1.017 1445 S CB 1.702 65.003 63.200 0.167 0.000 1.077 1445 S HN 1.689 nan 8.310 nan 0.000 0.517 1446 G N 1.156 109.955 108.800 -0.001 0.000 2.408 1446 G HA2 0.152 4.101 3.960 -0.017 0.000 0.213 1446 G HA3 0.152 4.101 3.960 -0.017 0.000 0.213 1446 G C 0.470 175.356 174.900 -0.023 0.000 1.177 1446 G CA 0.184 45.289 45.100 0.008 0.000 0.802 1446 G HN 0.737 nan 8.290 nan 0.000 0.533 1447 S N 1.629 117.286 115.700 -0.071 0.000 2.624 1447 S HA 0.424 4.883 4.470 -0.017 0.000 0.263 1447 S C -2.406 172.039 174.600 -0.259 0.000 1.287 1447 S CA -0.952 57.140 58.200 -0.180 0.000 0.990 1447 S CB 1.411 64.450 63.200 -0.269 0.000 0.950 1447 S HN 0.167 nan 8.310 nan 0.000 0.561 1448 P HA 0.428 nan 4.420 nan 0.000 0.279 1448 P C -1.224 175.823 177.300 -0.422 0.000 1.239 1448 P CA -0.059 62.910 63.100 -0.220 0.000 0.789 1448 P CB 0.147 31.774 31.700 -0.121 0.000 0.933 1449 F N 0.325 120.345 119.950 0.117 0.000 2.635 1449 F HA 0.442 4.958 4.527 -0.017 0.000 0.314 1449 F C 0.576 176.461 175.800 0.141 0.000 1.119 1449 F CA -0.794 57.289 58.000 0.139 0.000 1.000 1449 F CB 2.420 41.545 39.000 0.210 0.000 1.278 1449 F HN 0.323 nan 8.300 nan 0.000 0.446 1450 G N 2.496 111.509 108.800 0.355 0.000 2.410 1450 G HA2 0.649 4.598 3.960 -0.017 0.000 0.330 1450 G HA3 0.649 4.598 3.960 -0.017 0.000 0.330 1450 G C -2.804 172.211 174.900 0.191 0.000 1.142 1450 G CA -1.796 43.437 45.100 0.222 0.000 0.902 1450 G HN 0.235 nan 8.290 nan 0.000 0.491 1451 P HA -0.035 nan 4.420 nan 0.000 0.273 1451 P C -0.449 176.884 177.300 0.055 0.000 1.193 1451 P CA -0.040 63.118 63.100 0.097 0.000 0.777 1451 P CB 0.492 32.218 31.700 0.043 0.000 0.803 1452 V N 3.058 122.971 119.914 -0.002 0.000 2.525 1452 V HA 0.275 4.385 4.120 -0.017 0.000 0.299 1452 V C 0.145 176.081 176.094 -0.262 0.000 1.034 1452 V CA -0.534 61.734 62.300 -0.053 0.000 0.863 1452 V CB 1.710 33.593 31.823 0.101 0.000 0.999 1452 V HN 0.408 nan 8.190 nan 0.000 0.423 1453 K N 5.161 125.436 120.400 -0.209 0.000 2.159 1453 K HA 0.710 5.019 4.320 -0.017 0.000 0.266 1453 K C -1.187 175.290 176.600 -0.204 0.000 0.975 1453 K CA -0.484 55.636 56.287 -0.277 0.000 0.865 1453 K CB 1.555 33.948 32.500 -0.179 0.000 1.087 1453 K HN 0.518 nan 8.250 nan 0.000 0.446 1454 L N 1.105 122.190 121.223 -0.230 0.000 2.347 1454 L HA 0.318 4.647 4.340 -0.017 0.000 0.268 1454 L C 2.081 178.905 176.870 -0.078 0.000 1.019 1454 L CA -0.587 54.186 54.840 -0.112 0.000 0.806 1454 L CB 0.829 42.852 42.059 -0.060 0.000 1.339 1454 L HN 0.828 nan 8.230 nan 0.000 0.463 1455 T N -1.892 112.638 114.554 -0.041 0.000 2.721 1455 T HA -0.214 4.126 4.350 -0.017 0.000 0.268 1455 T C 0.781 175.462 174.700 -0.032 0.000 1.038 1455 T CA 1.813 63.895 62.100 -0.030 0.000 1.145 1455 T CB -0.684 68.175 68.868 -0.014 0.000 0.858 1455 T HN 0.751 nan 8.240 nan 0.000 0.459 1456 D N 0.711 121.093 120.400 -0.030 0.000 2.870 1456 D HA 0.371 5.001 4.640 -0.017 0.000 0.241 1456 D C 1.281 177.549 176.300 -0.054 0.000 1.234 1456 D CA 0.149 54.134 54.000 -0.025 0.000 0.844 1456 D CB -1.084 39.716 40.800 -0.001 0.000 1.051 1456 D HN 0.567 nan 8.370 nan 0.000 0.469 1457 G N 0.994 109.750 108.800 -0.074 0.000 2.449 1457 G HA2 -0.409 3.541 3.960 -0.017 0.000 0.304 1457 G HA3 -0.409 3.541 3.960 -0.017 0.000 0.304 1457 G C 0.116 174.916 174.900 -0.166 0.000 0.962 1457 G CA -0.045 44.993 45.100 -0.103 0.000 0.943 1457 G HN 0.440 nan 8.290 nan 0.000 0.514 1458 R N -0.476 119.874 120.500 -0.250 0.000 2.198 1458 R HA 0.472 4.802 4.340 -0.017 0.000 0.339 1458 R C 0.458 176.175 176.300 -0.972 0.000 1.020 1458 R CA -0.413 55.404 56.100 -0.473 0.000 0.864 1458 R CB 1.431 31.554 30.300 -0.295 0.000 1.105 1458 R HN 0.304 nan 8.270 nan 0.000 0.463 1459 V N 1.183 120.629 119.914 -0.780 0.000 2.439 1459 V HA 0.620 4.730 4.120 -0.017 0.000 0.282 1459 V C -0.601 175.082 176.094 -0.684 0.000 1.039 1459 V CA -0.776 61.126 62.300 -0.665 0.000 0.913 1459 V CB 0.775 32.437 31.823 -0.269 0.000 0.983 1459 V HN 0.397 nan 8.190 nan 0.000 0.460 1460 F N 1.092 120.933 119.950 -0.181 0.000 2.557 1460 F HA 0.583 5.099 4.527 -0.018 0.000 0.316 1460 F C 0.458 176.172 175.800 -0.143 0.000 1.141 1460 F CA -0.855 56.972 58.000 -0.287 0.000 0.922 1460 F CB 1.866 40.413 39.000 -0.756 0.000 1.194 1460 F HN 0.445 nan 8.300 nan 0.000 0.443 1461 T N 5.403 120.038 114.554 0.135 0.000 2.794 1461 T HA 0.389 4.729 4.350 -0.017 0.000 0.296 1461 T C -2.562 172.292 174.700 0.257 0.000 0.949 1461 T CA -1.115 61.088 62.100 0.173 0.000 1.101 1461 T CB 0.831 69.779 68.868 0.134 0.000 0.905 1461 T HN 0.163 nan 8.240 nan 0.000 0.516 1462 P HA 0.362 nan 4.420 nan 0.000 0.290 1462 P C -0.104 177.348 177.300 0.254 0.000 1.276 1462 P CA -0.500 62.882 63.100 0.470 0.000 0.808 1462 P CB 0.806 32.919 31.700 0.689 0.000 0.966 1463 G N 2.388 111.255 108.800 0.112 0.000 2.353 1463 G HA2 0.285 4.235 3.960 -0.017 0.000 0.284 1463 G HA3 0.285 4.235 3.960 -0.017 0.000 0.284 1463 G C -0.715 174.278 174.900 0.155 0.000 1.172 1463 G CA -0.329 44.838 45.100 0.112 0.000 0.854 1463 G HN 0.528 nan 8.290 nan 0.000 0.485 1464 Q N 1.267 121.211 119.800 0.240 0.000 2.241 1464 Q HA 0.510 4.839 4.340 -0.017 0.000 0.254 1464 Q C 0.329 176.330 176.000 0.001 0.000 0.917 1464 Q CA -0.727 55.167 55.803 0.151 0.000 0.919 1464 Q CB 1.326 30.142 28.738 0.130 0.000 1.237 1464 Q HN 0.517 nan 8.270 nan 0.000 0.434 1465 G N 3.763 112.471 108.800 -0.154 0.000 4.649 1465 G HA2 0.072 4.022 3.960 -0.017 0.000 0.312 1465 G HA3 0.072 4.022 3.960 -0.017 0.000 0.312 1465 G C -0.342 174.422 174.900 -0.227 0.000 1.403 1465 G CA -0.404 44.297 45.100 -0.666 0.000 1.248 1465 G HN 0.534 nan 8.290 nan 0.000 0.581 1466 N N 0.494 119.229 118.700 0.058 0.000 2.508 1466 N HA 0.042 4.772 4.740 -0.017 0.000 0.264 1466 N C 1.308 176.938 175.510 0.199 0.000 1.216 1466 N CA -0.430 52.716 53.050 0.160 0.000 0.943 1466 N CB 0.872 39.447 38.487 0.146 0.000 1.113 1466 N HN 0.134 nan 8.380 nan 0.000 0.447 1467 N N 1.111 119.915 118.700 0.175 0.000 2.453 1467 N HA -0.120 4.609 4.740 -0.017 0.000 0.183 1467 N C 1.503 176.969 175.510 -0.072 0.000 1.041 1467 N CA 0.199 53.358 53.050 0.182 0.000 0.900 1467 N CB -0.186 38.521 38.487 0.367 0.000 0.961 1467 N HN 0.381 nan 8.380 nan 0.000 0.443 1468 V N 0.093 119.927 119.914 -0.133 0.000 2.546 1468 V HA -0.280 3.829 4.120 -0.017 0.000 0.254 1468 V C 1.233 176.969 176.094 -0.596 0.000 1.076 1468 V CA 1.565 63.528 62.300 -0.562 0.000 1.087 1468 V CB -0.606 31.047 31.823 -0.283 0.000 0.674 1468 V HN 0.251 nan 8.190 nan 0.000 0.470 1469 Y N -0.416 119.678 120.300 -0.345 0.000 2.403 1469 Y HA -0.108 4.432 4.550 -0.017 0.000 0.291 1469 Y C 2.008 177.733 175.900 -0.292 0.000 1.143 1469 Y CA 1.556 59.494 58.100 -0.270 0.000 1.257 1469 Y CB 0.032 38.365 38.460 -0.212 0.000 0.984 1469 Y HN 0.291 nan 8.280 nan 0.000 0.550 1470 I N -2.010 118.431 120.570 -0.215 0.000 4.049 1470 I HA -0.069 4.091 4.170 -0.017 0.000 0.237 1470 I C 2.232 178.188 176.117 -0.269 0.000 1.076 1470 I CA 0.317 61.510 61.300 -0.178 0.000 1.610 1470 I CB -1.843 36.159 38.000 0.004 0.000 1.544 1470 I HN 0.156 nan 8.210 nan 0.000 0.458 1471 F N 2.346 122.269 119.950 -0.044 0.000 2.127 1471 F HA -0.147 4.370 4.527 -0.018 0.000 0.299 1471 F C -0.885 174.729 175.800 -0.310 0.000 1.068 1471 F CA 1.326 59.266 58.000 -0.099 0.000 1.263 1471 F CB -3.097 35.944 39.000 0.069 0.000 1.016 1471 F HN 0.118 nan 8.300 nan 0.000 0.491 1472 P HA -0.032 nan 4.420 nan 0.000 0.208 1472 P C 2.240 179.397 177.300 -0.239 0.000 1.200 1472 P CA 2.374 65.248 63.100 -0.377 0.000 0.924 1472 P CB -0.649 30.796 31.700 -0.424 0.000 0.774 1473 G N -0.148 108.514 108.800 -0.229 0.000 2.606 1473 G HA2 -0.332 3.618 3.960 -0.017 0.000 0.221 1473 G HA3 -0.332 3.618 3.960 -0.017 0.000 0.221 1473 G C 1.666 176.474 174.900 -0.153 0.000 1.152 1473 G CA 1.685 46.688 45.100 -0.162 0.000 0.765 1473 G HN 0.181 nan 8.290 nan 0.000 0.595 1474 V N 1.549 121.350 119.914 -0.188 0.000 2.223 1474 V HA -0.104 4.006 4.120 -0.017 0.000 0.244 1474 V C 3.351 179.352 176.094 -0.155 0.000 1.045 1474 V CA 2.277 64.443 62.300 -0.223 0.000 1.000 1474 V CB -1.245 30.365 31.823 -0.355 0.000 0.635 1474 V HN 0.570 nan 8.190 nan 0.000 0.445 1475 A N -0.006 122.752 122.820 -0.103 0.000 1.894 1475 A HA -0.331 3.978 4.320 -0.017 0.000 0.220 1475 A C 2.207 179.793 177.584 0.004 0.000 1.237 1475 A CA 2.698 54.755 52.037 0.032 0.000 0.660 1475 A CB -0.973 18.075 19.000 0.079 0.000 0.835 1475 A HN 0.457 nan 8.150 nan 0.000 0.461 1476 L N -0.522 120.678 121.223 -0.037 0.000 2.021 1476 L HA -0.198 4.131 4.340 -0.017 0.000 0.215 1476 L C 2.766 179.595 176.870 -0.067 0.000 1.074 1476 L CA 2.551 57.363 54.840 -0.046 0.000 0.760 1476 L CB -1.109 40.909 42.059 -0.069 0.000 0.889 1476 L HN 0.457 nan 8.230 nan 0.000 0.433 1477 A N -1.278 121.491 122.820 -0.084 0.000 1.834 1477 A HA -0.192 4.118 4.320 -0.017 0.000 0.216 1477 A C 2.269 179.802 177.584 -0.086 0.000 1.203 1477 A CA 2.345 54.330 52.037 -0.087 0.000 0.621 1477 A CB -1.347 17.598 19.000 -0.093 0.000 0.841 1477 A HN 0.274 nan 8.150 nan 0.000 0.446 1478 V N 0.822 120.683 119.914 -0.087 0.000 2.277 1478 V HA -0.360 3.749 4.120 -0.017 0.000 0.253 1478 V C 2.459 178.512 176.094 -0.068 0.000 1.067 1478 V CA 2.202 64.454 62.300 -0.080 0.000 1.047 1478 V CB -0.792 30.999 31.823 -0.053 0.000 0.649 1478 V HN 0.520 nan 8.190 nan 0.000 0.447 1479 I N -0.622 119.922 120.570 -0.043 0.000 2.045 1479 I HA -0.273 3.886 4.170 -0.017 0.000 0.233 1479 I C 2.406 178.499 176.117 -0.039 0.000 1.048 1479 I CA 1.999 63.276 61.300 -0.038 0.000 1.313 1479 I CB -1.258 36.721 38.000 -0.035 0.000 1.043 1479 I HN 0.271 nan 8.210 nan 0.000 0.393 1480 L N 0.311 121.505 121.223 -0.048 0.000 2.211 1480 L HA -0.272 4.058 4.340 -0.017 0.000 0.216 1480 L C 2.300 179.193 176.870 0.037 0.000 1.092 1480 L CA 1.259 56.082 54.840 -0.029 0.000 0.767 1480 L CB -0.579 41.407 42.059 -0.121 0.000 0.894 1480 L HN 0.401 nan 8.230 nan 0.000 0.437 1481 C N -0.696 118.578 119.300 -0.043 0.000 2.906 1481 C HA 0.178 4.627 4.460 -0.017 0.000 0.274 1481 C C 1.254 176.200 174.990 -0.073 0.000 1.257 1481 C CA -0.440 58.508 59.018 -0.116 0.000 1.695 1481 C CB -1.669 25.907 27.740 -0.272 0.000 1.958 1481 C HN 0.634 nan 8.230 nan 0.000 0.619 1482 N N 0.362 119.031 118.700 -0.051 0.000 2.693 1482 N HA -0.157 4.573 4.740 -0.017 0.000 0.249 1482 N C -0.491 174.873 175.510 -0.243 0.000 1.119 1482 N CA 0.479 53.487 53.050 -0.071 0.000 0.717 1482 N CB -1.160 37.348 38.487 0.035 0.000 1.071 1482 N HN 0.543 nan 8.380 nan 0.000 0.555 1483 T N 0.400 114.808 114.554 -0.243 0.000 2.734 1483 T HA 0.095 4.435 4.350 -0.017 0.000 0.269 1483 T C 1.782 176.268 174.700 -0.357 0.000 0.964 1483 T CA 0.719 62.617 62.100 -0.336 0.000 1.226 1483 T CB 0.737 69.503 68.868 -0.170 0.000 0.910 1483 T HN 0.528 nan 8.240 nan 0.000 0.534 1484 R N 2.593 122.729 120.500 -0.606 0.000 2.170 1484 R HA -0.067 4.263 4.340 -0.017 0.000 0.242 1484 R C 0.668 176.653 176.300 -0.526 0.000 1.145 1484 R CA 1.527 57.328 56.100 -0.498 0.000 0.984 1484 R CB -0.976 29.033 30.300 -0.484 0.000 0.869 1484 R HN 0.881 nan 8.270 nan 0.000 0.455 1485 H N -2.775 116.244 119.070 -0.086 0.000 2.961 1485 H HA 0.637 5.183 4.556 -0.017 0.000 0.371 1485 H C -1.175 174.179 175.328 0.043 0.000 1.190 1485 H CA -0.762 55.303 56.048 0.029 0.000 1.138 1485 H CB 2.122 31.919 29.762 0.058 0.000 1.816 1485 H HN 0.145 nan 8.280 nan 0.000 0.551 1486 I N 2.201 122.918 120.570 0.245 0.000 2.359 1486 I HA 0.270 4.430 4.170 -0.017 0.000 0.284 1486 I C -0.110 176.152 176.117 0.242 0.000 1.018 1486 I CA -0.479 60.924 61.300 0.172 0.000 1.173 1486 I CB 1.017 39.126 38.000 0.181 0.000 1.326 1486 I HN 0.485 nan 8.210 nan 0.000 0.462 1487 S N 2.589 118.400 115.700 0.185 0.000 2.669 1487 S HA 0.284 4.744 4.470 -0.017 0.000 0.270 1487 S C 0.458 175.249 174.600 0.319 0.000 1.225 1487 S CA -0.778 57.558 58.200 0.228 0.000 0.991 1487 S CB 1.479 64.793 63.200 0.189 0.000 0.987 1487 S HN 0.510 nan 8.310 nan 0.000 0.552 1488 D N 1.022 121.619 120.400 0.328 0.000 2.277 1488 D HA -0.012 4.618 4.640 -0.017 0.000 0.208 1488 D C 1.857 178.321 176.300 0.273 0.000 0.962 1488 D CA 1.073 55.318 54.000 0.408 0.000 0.865 1488 D CB -0.449 40.483 40.800 0.220 0.000 0.939 1488 D HN 0.623 nan 8.370 nan 0.000 0.510 1489 S N -0.348 115.460 115.700 0.179 0.000 2.547 1489 S HA -0.057 4.402 4.470 -0.017 0.000 0.235 1489 S C 1.979 176.516 174.600 -0.105 0.000 0.980 1489 S CA 0.329 58.598 58.200 0.115 0.000 0.941 1489 S CB -0.130 63.209 63.200 0.231 0.000 0.763 1489 S HN 0.126 nan 8.310 nan 0.000 0.532 1490 V N -0.229 119.587 119.914 -0.162 0.000 2.575 1490 V HA 0.108 4.218 4.120 -0.017 0.000 0.242 1490 V C 1.902 177.701 176.094 -0.491 0.000 1.045 1490 V CA 0.733 62.739 62.300 -0.490 0.000 1.065 1490 V CB -1.099 30.447 31.823 -0.462 0.000 0.717 1490 V HN 0.354 nan 8.190 nan 0.000 0.467 1491 F N 0.735 120.597 119.950 -0.146 0.000 2.051 1491 F HA -0.155 4.362 4.527 -0.018 0.000 0.296 1491 F C 2.306 178.046 175.800 -0.100 0.000 1.122 1491 F CA 2.166 60.096 58.000 -0.117 0.000 1.201 1491 F CB -0.759 38.200 39.000 -0.068 0.000 0.978 1491 F HN 0.055 nan 8.300 nan 0.000 0.472 1492 L N 0.437 121.728 121.223 0.113 0.000 2.013 1492 L HA -0.260 4.070 4.340 -0.017 0.000 0.212 1492 L C 2.395 179.235 176.870 -0.049 0.000 1.073 1492 L CA 2.058 56.926 54.840 0.046 0.000 0.753 1492 L CB -0.521 41.572 42.059 0.058 0.000 0.890 1492 L HN 0.183 nan 8.230 nan 0.000 0.432 1493 E N 0.172 120.270 120.200 -0.171 0.000 2.333 1493 E HA -0.175 4.165 4.350 -0.017 0.000 0.198 1493 E C 1.788 178.258 176.600 -0.218 0.000 1.007 1493 E CA 1.269 57.509 56.400 -0.266 0.000 0.845 1493 E CB -0.106 29.198 29.700 -0.660 0.000 0.766 1493 E HN 0.633 nan 8.360 nan 0.000 0.507 1494 A N 0.619 123.323 122.820 -0.194 0.000 1.898 1494 A HA 0.200 4.510 4.320 -0.017 0.000 0.214 1494 A C 2.428 179.978 177.584 -0.056 0.000 1.183 1494 A CA 1.311 53.259 52.037 -0.147 0.000 0.622 1494 A CB -0.941 17.953 19.000 -0.177 0.000 0.824 1494 A HN 0.382 nan 8.150 nan 0.000 0.444 1495 A N 0.458 123.270 122.820 -0.014 0.000 1.849 1495 A HA -0.239 4.070 4.320 -0.017 0.000 0.217 1495 A C 2.065 179.659 177.584 0.018 0.000 1.202 1495 A CA 2.163 54.215 52.037 0.026 0.000 0.629 1495 A CB -0.710 18.319 19.000 0.049 0.000 0.834 1495 A HN 0.523 nan 8.150 nan 0.000 0.447 1496 K N -0.451 119.951 120.400 0.003 0.000 2.015 1496 K HA -0.250 4.060 4.320 -0.017 0.000 0.220 1496 K C 2.299 178.903 176.600 0.007 0.000 1.055 1496 K CA 1.782 58.073 56.287 0.006 0.000 0.951 1496 K CB -0.575 31.922 32.500 -0.004 0.000 0.725 1496 K HN 0.483 nan 8.250 nan 0.000 0.449 1497 A N 1.289 124.102 122.820 -0.012 0.000 1.927 1497 A HA -0.219 4.091 4.320 -0.017 0.000 0.220 1497 A C 2.151 179.743 177.584 0.012 0.000 1.185 1497 A CA 1.879 53.913 52.037 -0.006 0.000 0.639 1497 A CB -0.702 18.280 19.000 -0.030 0.000 0.820 1497 A HN 0.336 nan 8.150 nan 0.000 0.451 1498 L N -0.649 120.584 121.223 0.017 0.000 1.973 1498 L HA -0.092 4.238 4.340 -0.017 0.000 0.208 1498 L C 2.326 179.231 176.870 0.058 0.000 1.073 1498 L CA 3.018 57.886 54.840 0.046 0.000 0.746 1498 L CB -1.497 40.591 42.059 0.047 0.000 0.891 1498 L HN 0.322 nan 8.230 nan 0.000 0.433 1499 T N 0.062 114.649 114.554 0.055 0.000 2.680 1499 T HA -0.215 4.125 4.350 -0.017 0.000 0.268 1499 T C 1.643 176.366 174.700 0.037 0.000 1.033 1499 T CA 1.864 63.993 62.100 0.049 0.000 1.152 1499 T CB -0.502 68.387 68.868 0.036 0.000 0.859 1499 T HN 0.580 nan 8.240 nan 0.000 0.452 1500 S N 1.170 116.890 115.700 0.034 0.000 2.660 1500 S HA 0.024 4.483 4.470 -0.017 0.000 0.228 1500 S C 1.536 176.157 174.600 0.035 0.000 0.966 1500 S CA 0.286 58.504 58.200 0.030 0.000 0.940 1500 S CB -0.102 63.114 63.200 0.027 0.000 0.773 1500 S HN 0.500 nan 8.310 nan 0.000 0.535 1501 Q N 0.296 120.124 119.800 0.046 0.000 2.319 1501 Q HA 0.250 4.579 4.340 -0.017 0.000 0.202 1501 Q C -0.140 175.894 176.000 0.056 0.000 0.896 1501 Q CA -0.046 55.789 55.803 0.053 0.000 0.942 1501 Q CB 0.117 28.897 28.738 0.070 0.000 1.083 1501 Q HN 0.360 nan 8.270 nan 0.000 0.510 1502 L N 2.353 123.605 121.223 0.048 0.000 2.380 1502 L HA 0.144 4.474 4.340 -0.017 0.000 0.273 1502 L C 0.774 177.664 176.870 0.033 0.000 1.138 1502 L CA 0.612 55.477 54.840 0.042 0.000 0.832 1502 L CB 1.125 43.199 42.059 0.025 0.000 1.124 1502 L HN 0.099 nan 8.230 nan 0.000 0.454 1503 T N -0.680 113.894 114.554 0.033 0.000 2.922 1503 T HA 0.257 4.596 4.350 -0.017 0.000 0.285 1503 T C 0.712 175.425 174.700 0.022 0.000 1.005 1503 T CA -0.657 61.459 62.100 0.027 0.000 1.061 1503 T CB 0.913 69.799 68.868 0.029 0.000 1.007 1503 T HN 0.510 nan 8.240 nan 0.000 0.502 1504 D N 0.909 121.320 120.400 0.018 0.000 2.264 1504 D HA 0.001 4.631 4.640 -0.017 0.000 0.208 1504 D C 1.635 177.944 176.300 0.015 0.000 0.966 1504 D CA 0.917 54.925 54.000 0.014 0.000 0.864 1504 D CB 0.062 40.870 40.800 0.013 0.000 0.933 1504 D HN 0.724 nan 8.370 nan 0.000 0.499 1505 E N 0.470 120.681 120.200 0.019 0.000 2.086 1505 E HA -0.042 4.297 4.350 -0.017 0.000 0.190 1505 E C 1.725 178.341 176.600 0.026 0.000 0.975 1505 E CA 0.526 56.938 56.400 0.021 0.000 0.813 1505 E CB -0.247 29.466 29.700 0.022 0.000 0.768 1505 E HN 0.256 nan 8.360 nan 0.000 0.457 1506 E N -0.016 120.201 120.200 0.028 0.000 2.153 1506 E HA -0.129 4.210 4.350 -0.017 0.000 0.194 1506 E C 1.380 177.994 176.600 0.025 0.000 0.988 1506 E CA 0.504 56.924 56.400 0.035 0.000 0.811 1506 E CB 0.083 29.807 29.700 0.041 0.000 0.746 1506 E HN 0.056 nan 8.360 nan 0.000 0.466 1507 L N -0.085 121.146 121.223 0.014 0.000 2.179 1507 L HA 0.028 4.358 4.340 -0.017 0.000 0.208 1507 L C 2.113 178.980 176.870 -0.005 0.000 1.096 1507 L CA 1.457 56.297 54.840 0.001 0.000 0.779 1507 L CB -1.240 40.819 42.059 0.000 0.000 0.922 1507 L HN 0.098 nan 8.230 nan 0.000 0.443 1508 A N -0.481 122.343 122.820 0.007 0.000 1.841 1508 A HA -0.235 4.075 4.320 -0.017 0.000 0.216 1508 A C 2.011 179.607 177.584 0.021 0.000 1.199 1508 A CA 1.497 53.540 52.037 0.010 0.000 0.621 1508 A CB -0.541 18.473 19.000 0.023 0.000 0.835 1508 A HN 0.533 nan 8.150 nan 0.000 0.445 1509 Q N -1.479 118.346 119.800 0.042 0.000 2.268 1509 Q HA -0.085 4.244 4.340 -0.017 0.000 0.210 1509 Q C 1.326 177.353 176.000 0.044 0.000 0.988 1509 Q CA 1.356 57.203 55.803 0.073 0.000 0.883 1509 Q CB -0.458 28.319 28.738 0.066 0.000 0.911 1509 Q HN 1.301 nan 8.270 nan 0.000 0.430 1510 G N 1.488 110.287 108.800 -0.002 0.000 2.138 1510 G HA2 -0.206 3.744 3.960 -0.017 0.000 0.193 1510 G HA3 -0.206 3.744 3.960 -0.017 0.000 0.193 1510 G C -0.044 174.862 174.900 0.010 0.000 0.998 1510 G CA -0.049 45.028 45.100 -0.039 0.000 0.668 1510 G HN 0.300 nan 8.290 nan 0.000 0.516 1511 R N 0.076 120.589 120.500 0.020 0.000 2.410 1511 R HA 0.617 4.947 4.340 -0.017 0.000 0.288 1511 R C 0.465 176.721 176.300 -0.073 0.000 1.051 1511 R CA -0.560 55.545 56.100 0.008 0.000 1.021 1511 R CB 0.736 31.073 30.300 0.063 0.000 1.032 1511 R HN 0.174 nan 8.270 nan 0.000 0.481 1512 L N 1.111 122.199 121.223 -0.225 0.000 2.667 1512 L HA 0.343 4.672 4.340 -0.017 0.000 0.232 1512 L C -0.316 176.241 176.870 -0.522 0.000 1.138 1512 L CA 0.129 54.740 54.840 -0.381 0.000 0.921 1512 L CB -0.472 41.265 42.059 -0.537 0.000 1.180 1512 L HN 0.553 nan 8.230 nan 0.000 0.487 1513 Y N 0.736 120.991 120.300 -0.076 0.000 2.386 1513 Y HA 0.467 5.006 4.550 -0.017 0.000 0.334 1513 Y C -2.234 173.669 175.900 0.005 0.000 1.002 1513 Y CA -2.589 55.420 58.100 -0.151 0.000 1.068 1513 Y CB 2.149 40.434 38.460 -0.293 0.000 1.203 1513 Y HN -0.167 nan 8.280 nan 0.000 0.443 1514 P HA 0.072 nan 4.420 nan 0.000 0.270 1514 P C -2.699 174.767 177.300 0.276 0.000 1.223 1514 P CA -1.451 61.783 63.100 0.223 0.000 0.785 1514 P CB 0.119 31.941 31.700 0.203 0.000 0.923 1515 P HA -0.040 nan 4.420 nan 0.000 0.261 1515 P C 1.045 178.407 177.300 0.102 0.000 1.173 1515 P CA 0.115 63.295 63.100 0.134 0.000 0.760 1515 P CB 0.069 31.819 31.700 0.082 0.000 0.783 1516 L N 4.225 125.493 121.223 0.074 0.000 2.265 1516 L HA -0.132 4.197 4.340 -0.017 0.000 0.215 1516 L C 2.147 178.978 176.870 -0.065 0.000 1.117 1516 L CA 1.577 56.378 54.840 -0.066 0.000 0.782 1516 L CB -1.549 40.480 42.059 -0.051 0.000 0.914 1516 L HN 0.427 nan 8.230 nan 0.000 0.441 1517 A N -0.785 122.029 122.820 -0.009 0.000 2.225 1517 A HA -0.123 4.187 4.320 -0.017 0.000 0.215 1517 A C 0.914 178.485 177.584 -0.022 0.000 1.164 1517 A CA 1.321 53.351 52.037 -0.011 0.000 0.710 1517 A CB -0.718 18.287 19.000 0.009 0.000 0.780 1517 A HN 0.609 nan 8.150 nan 0.000 0.473 1518 N N -1.373 117.311 118.700 -0.027 0.000 2.571 1518 N HA 0.251 4.981 4.740 -0.017 0.000 0.298 1518 N C 0.382 175.858 175.510 -0.057 0.000 1.671 1518 N CA -0.280 52.753 53.050 -0.028 0.000 0.900 1518 N CB 0.263 38.749 38.487 -0.002 0.000 1.365 1518 N HN 0.274 nan 8.380 nan 0.000 0.493 1519 I N 0.502 121.007 120.570 -0.108 0.000 2.614 1519 I HA -0.229 3.931 4.170 -0.017 0.000 0.258 1519 I C 1.862 177.903 176.117 -0.126 0.000 1.189 1519 I CA 1.403 62.600 61.300 -0.172 0.000 1.462 1519 I CB 0.182 38.029 38.000 -0.255 0.000 1.092 1519 I HN 0.252 nan 8.210 nan 0.000 0.442 1520 Q N 0.993 120.741 119.800 -0.086 0.000 1.889 1520 Q HA -0.242 4.088 4.340 -0.017 0.000 0.211 1520 Q C 1.986 177.950 176.000 -0.059 0.000 0.988 1520 Q CA 2.080 57.842 55.803 -0.067 0.000 0.861 1520 Q CB -0.946 27.762 28.738 -0.049 0.000 0.922 1520 Q HN 0.668 nan 8.270 nan 0.000 0.425 1521 E N 1.297 121.471 120.200 -0.042 0.000 2.035 1521 E HA -0.211 4.129 4.350 -0.017 0.000 0.204 1521 E C 2.271 178.853 176.600 -0.029 0.000 1.025 1521 E CA 1.917 58.299 56.400 -0.030 0.000 0.835 1521 E CB -0.939 28.752 29.700 -0.016 0.000 0.764 1521 E HN 0.098 nan 8.360 nan 0.000 0.457 1522 V N 1.710 121.610 119.914 -0.024 0.000 2.233 1522 V HA -0.382 3.727 4.120 -0.017 0.000 0.256 1522 V C 2.715 178.789 176.094 -0.033 0.000 1.069 1522 V CA 2.555 64.851 62.300 -0.008 0.000 1.054 1522 V CB -0.882 30.941 31.823 0.001 0.000 0.664 1522 V HN 0.347 nan 8.190 nan 0.000 0.453 1523 S N -0.837 114.818 115.700 -0.075 0.000 2.356 1523 S HA -0.144 4.316 4.470 -0.017 0.000 0.223 1523 S C 1.742 176.294 174.600 -0.080 0.000 1.032 1523 S CA 1.913 60.051 58.200 -0.104 0.000 1.005 1523 S CB -0.402 62.706 63.200 -0.152 0.000 0.867 1523 S HN 0.470 nan 8.310 nan 0.000 0.449 1524 I N 2.261 122.793 120.570 -0.064 0.000 2.076 1524 I HA -0.269 3.891 4.170 -0.017 0.000 0.237 1524 I C 2.132 178.227 176.117 -0.037 0.000 1.059 1524 I CA 1.389 62.658 61.300 -0.051 0.000 1.317 1524 I CB -0.511 37.464 38.000 -0.041 0.000 1.037 1524 I HN 0.343 nan 8.210 nan 0.000 0.398 1525 N N 0.479 119.165 118.700 -0.023 0.000 2.272 1525 N HA -0.188 4.542 4.740 -0.017 0.000 0.185 1525 N C 2.012 177.516 175.510 -0.010 0.000 1.014 1525 N CA 1.162 54.207 53.050 -0.007 0.000 0.870 1525 N CB -0.131 38.357 38.487 0.002 0.000 0.975 1525 N HN 0.375 nan 8.380 nan 0.000 0.433 1526 I N 1.244 121.798 120.570 -0.026 0.000 2.202 1526 I HA -0.231 3.929 4.170 -0.017 0.000 0.242 1526 I C 2.522 178.610 176.117 -0.048 0.000 1.091 1526 I CA 0.625 61.902 61.300 -0.038 0.000 1.368 1526 I CB -0.242 37.724 38.000 -0.057 0.000 1.058 1526 I HN 0.108 nan 8.210 nan 0.000 0.410 1527 A N 1.310 124.097 122.820 -0.057 0.000 1.883 1527 A HA -0.208 4.102 4.320 -0.017 0.000 0.217 1527 A C 2.233 179.806 177.584 -0.018 0.000 1.186 1527 A CA 1.603 53.605 52.037 -0.058 0.000 0.624 1527 A CB -0.851 18.107 19.000 -0.069 0.000 0.822 1527 A HN 0.408 nan 8.150 nan 0.000 0.444 1528 I N -1.019 119.552 120.570 0.002 0.000 2.099 1528 I HA -0.289 3.871 4.170 -0.017 0.000 0.239 1528 I C 2.504 178.661 176.117 0.067 0.000 1.066 1528 I CA 1.948 63.276 61.300 0.046 0.000 1.324 1528 I CB -0.635 37.391 38.000 0.044 0.000 1.037 1528 I HN 0.160 nan 8.210 nan 0.000 0.401 1529 K N 1.100 121.526 120.400 0.044 0.000 2.044 1529 K HA -0.143 4.167 4.320 -0.017 0.000 0.210 1529 K C 1.952 178.596 176.600 0.074 0.000 1.049 1529 K CA 1.330 57.650 56.287 0.055 0.000 0.927 1529 K CB -0.740 31.775 32.500 0.024 0.000 0.713 1529 K HN 0.202 nan 8.250 nan 0.000 0.443 1530 V N 0.631 120.560 119.914 0.026 0.000 2.358 1530 V HA -0.273 3.836 4.120 -0.017 0.000 0.246 1530 V C 2.416 178.579 176.094 0.114 0.000 1.047 1530 V CA 2.187 64.503 62.300 0.026 0.000 1.035 1530 V CB -1.262 30.514 31.823 -0.079 0.000 0.658 1530 V HN 0.624 nan 8.190 nan 0.000 0.452 1531 T N 0.609 115.209 114.554 0.076 0.000 2.580 1531 T HA -0.328 4.012 4.350 -0.017 0.000 0.265 1531 T C 1.704 176.512 174.700 0.180 0.000 1.063 1531 T CA 2.201 64.340 62.100 0.065 0.000 1.170 1531 T CB -0.716 68.222 68.868 0.117 0.000 0.863 1531 T HN 0.637 nan 8.240 nan 0.000 0.418 1532 E N 0.465 120.819 120.200 0.257 0.000 2.136 1532 E HA -0.241 4.098 4.350 -0.017 0.000 0.202 1532 E C 1.939 178.690 176.600 0.252 0.000 1.019 1532 E CA 1.854 58.425 56.400 0.285 0.000 0.819 1532 E CB -0.681 29.135 29.700 0.193 0.000 0.739 1532 E HN 0.777 nan 8.360 nan 0.000 0.458 1533 Y N 1.699 122.056 120.300 0.096 0.000 2.034 1533 Y HA -0.258 4.281 4.550 -0.018 0.000 0.269 1533 Y C 2.150 178.099 175.900 0.082 0.000 1.125 1533 Y CA 1.771 59.912 58.100 0.068 0.000 1.097 1533 Y CB -0.544 37.929 38.460 0.022 0.000 0.978 1533 Y HN -0.083 nan 8.280 nan 0.000 0.480 1534 L N -0.704 120.652 121.223 0.222 0.000 2.054 1534 L HA -0.397 3.932 4.340 -0.017 0.000 0.220 1534 L C 2.422 179.305 176.870 0.022 0.000 1.081 1534 L CA 2.191 57.067 54.840 0.060 0.000 0.780 1534 L CB -1.069 41.007 42.059 0.028 0.000 0.893 1534 L HN 0.445 nan 8.230 nan 0.000 0.438 1535 Y N -0.697 119.623 120.300 0.032 0.000 2.036 1535 Y HA -0.363 4.177 4.550 -0.017 0.000 0.273 1535 Y C 2.680 178.566 175.900 -0.024 0.000 1.135 1535 Y CA 0.895 59.014 58.100 0.032 0.000 1.106 1535 Y CB -0.316 38.173 38.460 0.049 0.000 0.976 1535 Y HN 0.210 nan 8.280 nan 0.000 0.483 1536 A N 0.370 123.273 122.820 0.138 0.000 1.986 1536 A HA -0.261 4.048 4.320 -0.017 0.000 0.220 1536 A C 1.611 179.158 177.584 -0.062 0.000 1.171 1536 A CA 2.123 54.168 52.037 0.013 0.000 0.640 1536 A CB -0.937 18.061 19.000 -0.002 0.000 0.811 1536 A HN 0.640 nan 8.150 nan 0.000 0.451 1537 N N -0.141 118.450 118.700 -0.182 0.000 2.449 1537 N HA -0.004 4.725 4.740 -0.017 0.000 0.191 1537 N C -0.601 174.873 175.510 -0.059 0.000 1.161 1537 N CA 0.207 53.127 53.050 -0.216 0.000 0.863 1537 N CB 0.119 38.293 38.487 -0.522 0.000 0.980 1537 N HN 0.232 nan 8.380 nan 0.000 0.458 1541 F N 0.972 120.973 119.950 0.085 0.000 2.694 1541 F HA 0.200 4.717 4.527 -0.018 0.000 0.292 1541 F C 1.597 177.522 175.800 0.208 0.000 1.121 1541 F CA -0.595 57.495 58.000 0.150 0.000 1.352 1541 F CB 0.321 39.391 39.000 0.116 0.000 1.107 1541 F HN 0.556 nan 8.300 nan 0.000 0.597 1542 R N 2.343 123.054 120.500 0.353 0.000 2.481 1542 R HA -0.120 4.210 4.340 -0.017 0.000 0.291 1542 R C -1.210 175.291 176.300 0.336 0.000 0.934 1542 R CA 0.682 56.943 56.100 0.269 0.000 1.116 1542 R CB -0.326 30.095 30.300 0.202 0.000 0.895 1542 R HN 0.337 nan 8.270 nan 0.000 0.410 1543 Y N 3.996 124.397 120.300 0.167 0.000 2.545 1543 Y HA 0.680 5.220 4.550 -0.017 0.000 0.348 1543 Y C -2.465 173.470 175.900 0.059 0.000 1.002 1543 Y CA -2.370 55.790 58.100 0.100 0.000 1.039 1543 Y CB 1.301 39.802 38.460 0.068 0.000 1.271 1543 Y HN 0.481 nan 8.280 nan 0.000 0.467 1544 P HA 0.166 nan 4.420 nan 0.000 0.277 1544 P C -1.216 176.099 177.300 0.024 0.000 1.240 1544 P CA -0.508 62.732 63.100 0.234 0.000 0.798 1544 P CB 1.456 33.261 31.700 0.175 0.000 0.979 1545 E N 3.205 123.368 120.200 -0.061 0.000 2.366 1545 E HA 0.112 4.452 4.350 -0.017 0.000 0.266 1545 E C -1.796 174.613 176.600 -0.317 0.000 1.015 1545 E CA -1.525 54.657 56.400 -0.363 0.000 0.906 1545 E CB 0.071 29.358 29.700 -0.688 0.000 0.979 1545 E HN 0.267 nan 8.360 nan 0.000 0.443 1546 P HA 0.013 nan 4.420 nan 0.000 0.280 1546 P C 0.077 177.267 177.300 -0.183 0.000 1.244 1546 P CA -0.120 62.812 63.100 -0.281 0.000 0.784 1546 P CB 1.582 33.002 31.700 -0.467 0.000 0.913 1547 E N 1.686 121.819 120.200 -0.112 0.000 2.110 1547 E HA -0.193 4.146 4.350 -0.017 0.000 0.193 1547 E C -0.275 176.309 176.600 -0.027 0.000 0.988 1547 E CA 1.170 57.529 56.400 -0.070 0.000 0.804 1547 E CB 0.120 29.794 29.700 -0.044 0.000 0.745 1547 E HN 0.404 nan 8.360 nan 0.000 0.458 1548 D N 0.280 120.680 120.400 0.001 0.000 2.454 1548 D HA 0.075 4.705 4.640 -0.017 0.000 0.225 1548 D C 0.619 176.990 176.300 0.120 0.000 1.081 1548 D CA -0.216 53.815 54.000 0.051 0.000 0.864 1548 D CB 0.833 41.666 40.800 0.054 0.000 1.040 1548 D HN -0.087 nan 8.370 nan 0.000 0.517 1549 K N 2.154 122.642 120.400 0.146 0.000 2.155 1549 K HA -0.050 4.259 4.320 -0.017 0.000 0.203 1549 K C 1.674 178.414 176.600 0.234 0.000 1.052 1549 K CA 0.617 57.066 56.287 0.270 0.000 0.948 1549 K CB -0.088 32.561 32.500 0.248 0.000 0.728 1549 K HN 0.374 nan 8.250 nan 0.000 0.448 1550 A N 3.310 126.215 122.820 0.141 0.000 1.836 1550 A HA -0.279 4.030 4.320 -0.017 0.000 0.215 1550 A C 2.262 179.903 177.584 0.094 0.000 1.214 1550 A CA 2.483 54.577 52.037 0.095 0.000 0.636 1550 A CB -0.776 18.264 19.000 0.066 0.000 0.847 1550 A HN 0.429 nan 8.150 nan 0.000 0.451 1551 K N -1.931 118.525 120.400 0.095 0.000 2.113 1551 K HA -0.265 4.045 4.320 -0.017 0.000 0.208 1551 K C 1.914 178.592 176.600 0.129 0.000 1.047 1551 K CA 2.081 58.420 56.287 0.086 0.000 0.928 1551 K CB -0.569 31.977 32.500 0.076 0.000 0.716 1551 K HN 0.494 nan 8.250 nan 0.000 0.446 1552 Y N 2.244 122.566 120.300 0.036 0.000 2.006 1552 Y HA -0.297 4.243 4.550 -0.018 0.000 0.266 1552 Y C 2.108 178.031 175.900 0.037 0.000 1.133 1552 Y CA 1.961 60.088 58.100 0.046 0.000 1.098 1552 Y CB -0.863 37.642 38.460 0.076 0.000 0.969 1552 Y HN -0.085 nan 8.280 nan 0.000 0.482 1553 V N 0.982 120.782 119.914 -0.190 0.000 2.231 1553 V HA -0.375 3.734 4.120 -0.017 0.000 0.248 1553 V C 2.339 178.333 176.094 -0.167 0.000 1.054 1553 V CA 2.582 64.701 62.300 -0.302 0.000 1.015 1553 V CB -0.877 30.871 31.823 -0.125 0.000 0.638 1553 V HN 0.355 nan 8.190 nan 0.000 0.444 1554 K N -0.676 119.685 120.400 -0.065 0.000 2.366 1554 K HA -0.278 4.031 4.320 -0.017 0.000 0.202 1554 K C 2.022 178.596 176.600 -0.043 0.000 1.045 1554 K CA 1.708 57.972 56.287 -0.039 0.000 0.934 1554 K CB -0.080 32.417 32.500 -0.006 0.000 0.746 1554 K HN 0.569 nan 8.250 nan 0.000 0.470 1555 E N 0.244 120.413 120.200 -0.052 0.000 2.035 1555 E HA -0.017 4.323 4.350 -0.017 0.000 0.191 1555 E C 1.106 177.673 176.600 -0.055 0.000 0.966 1555 E CA 0.576 56.955 56.400 -0.035 0.000 0.823 1555 E CB 0.219 29.923 29.700 0.006 0.000 0.791 1555 E HN 0.049 nan 8.360 nan 0.000 0.459 1556 R N 1.100 121.545 120.500 -0.093 0.000 2.416 1556 R HA -0.019 4.311 4.340 -0.017 0.000 0.205 1556 R C -0.002 176.272 176.300 -0.043 0.000 1.150 1556 R CA 0.771 56.827 56.100 -0.073 0.000 1.139 1556 R CB -1.100 29.124 30.300 -0.126 0.000 0.861 1556 R HN 0.198 nan 8.270 nan 0.000 0.480 1557 T N -2.666 111.863 114.554 -0.042 0.000 2.851 1557 T HA 0.060 4.400 4.350 -0.017 0.000 0.298 1557 T C -0.116 174.603 174.700 0.031 0.000 0.977 1557 T CA -0.946 61.150 62.100 -0.006 0.000 1.126 1557 T CB 1.005 69.855 68.868 -0.030 0.000 0.916 1557 T HN 0.287 nan 8.240 nan 0.000 0.529 1558 W N 2.961 124.206 121.300 -0.093 0.000 2.112 1558 W HA 0.515 5.163 4.660 -0.020 0.000 0.349 1558 W C 0.146 176.611 176.519 -0.090 0.000 1.289 1558 W CA -0.530 56.760 57.345 -0.092 0.000 1.256 1558 W CB 0.573 29.961 29.460 -0.121 0.000 1.148 1558 W HN 0.565 nan 8.180 nan 0.000 0.590 1559 R N 0.898 120.709 120.500 -1.148 0.000 2.892 1559 R HA 0.307 4.636 4.340 -0.017 0.000 0.265 1559 R C 0.765 176.191 176.300 -1.457 0.000 1.025 1559 R CA -0.342 55.184 56.100 -0.956 0.000 0.982 1559 R CB 1.537 31.485 30.300 -0.586 0.000 1.185 1559 R HN 0.474 nan 8.270 nan 0.000 0.484 1560 S N -0.896 114.374 115.700 -0.716 0.000 2.540 1560 S HA 0.111 4.571 4.470 -0.017 0.000 0.218 1560 S C -0.285 174.074 174.600 -0.402 0.000 0.977 1560 S CA -0.350 57.559 58.200 -0.485 0.000 0.918 1560 S CB 0.054 63.148 63.200 -0.178 0.000 0.806 1560 S HN 0.500 nan 8.310 nan 0.000 0.496 1561 E N 1.983 121.951 120.200 -0.387 0.000 2.257 1561 E HA 0.132 4.471 4.350 -0.017 0.000 0.278 1561 E C -0.640 175.859 176.600 -0.169 0.000 1.049 1561 E CA -0.485 55.743 56.400 -0.286 0.000 0.876 1561 E CB 0.319 29.894 29.700 -0.209 0.000 1.035 1561 E HN 0.554 nan 8.360 nan 0.000 0.419 1562 Y N 1.624 121.851 120.300 -0.121 0.000 2.812 1562 Y HA -0.112 4.429 4.550 -0.014 0.000 0.348 1562 Y C 0.818 176.667 175.900 -0.085 0.000 1.274 1562 Y CA 0.152 58.194 58.100 -0.098 0.000 1.489 1562 Y CB 0.568 38.972 38.460 -0.094 0.000 1.348 1562 Y HN 0.421 nan 8.280 nan 0.000 0.646 1563 D N 0.463 120.936 120.400 0.122 0.000 2.619 1563 D HA 0.121 4.751 4.640 -0.017 0.000 0.241 1563 D C -0.749 175.573 176.300 0.036 0.000 1.087 1563 D CA -0.601 53.430 54.000 0.051 0.000 0.851 1563 D CB 1.923 42.746 40.800 0.038 0.000 1.474 1563 D HN 0.382 nan 8.370 nan 0.000 0.478 1564 S N 0.917 116.638 115.700 0.036 0.000 2.566 1564 S HA 0.099 4.558 4.470 -0.017 0.000 0.280 1564 S C 1.002 175.631 174.600 0.047 0.000 1.343 1564 S CA -0.110 58.114 58.200 0.040 0.000 1.036 1564 S CB 0.362 63.585 63.200 0.038 0.000 0.866 1564 S HN 0.442 nan 8.310 nan 0.000 0.526 1565 L N 2.590 123.850 121.223 0.061 0.000 2.749 1565 L HA 0.315 4.644 4.340 -0.017 0.000 0.242 1565 L C 0.238 177.139 176.870 0.051 0.000 1.103 1565 L CA -0.136 54.744 54.840 0.066 0.000 0.906 1565 L CB -0.097 42.024 42.059 0.103 0.000 1.228 1565 L HN 0.553 nan 8.230 nan 0.000 0.517 1566 L N 3.487 124.739 121.223 0.049 0.000 2.615 1566 L HA 0.017 4.346 4.340 -0.017 0.000 0.284 1566 L C -1.579 175.315 176.870 0.039 0.000 1.237 1566 L CA -0.928 53.935 54.840 0.039 0.000 0.905 1566 L CB -0.269 41.813 42.059 0.039 0.000 1.149 1566 L HN -0.038 nan 8.230 nan 0.000 0.499 1567 P HA 0.017 nan 4.420 nan 0.000 0.275 1567 P C -0.816 176.521 177.300 0.061 0.000 1.228 1567 P CA -0.482 62.642 63.100 0.039 0.000 0.786 1567 P CB 0.742 32.455 31.700 0.022 0.000 0.927 1568 D N 2.125 122.577 120.400 0.086 0.000 2.367 1568 D HA 0.130 4.759 4.640 -0.017 0.000 0.255 1568 D C -0.488 175.955 176.300 0.238 0.000 1.300 1568 D CA 0.089 54.171 54.000 0.138 0.000 0.959 1568 D CB -0.234 40.639 40.800 0.122 0.000 1.064 1568 D HN -0.056 nan 8.370 nan 0.000 0.509 1569 V N 5.230 125.262 119.914 0.196 0.000 2.612 1569 V HA 0.585 4.695 4.120 -0.017 0.000 0.301 1569 V C -0.471 175.785 176.094 0.270 0.000 1.046 1569 V CA -0.629 61.750 62.300 0.131 0.000 0.946 1569 V CB 1.210 33.042 31.823 0.015 0.000 1.003 1569 V HN 0.457 nan 8.190 nan 0.000 0.459 1570 Y N 0.545 120.851 120.300 0.011 0.000 2.457 1570 Y HA 0.541 5.080 4.550 -0.019 0.000 0.322 1570 Y C -0.400 175.538 175.900 0.064 0.000 1.218 1570 Y CA -1.554 56.573 58.100 0.045 0.000 1.116 1570 Y CB 0.529 39.033 38.460 0.073 0.000 1.335 1570 Y HN 0.796 nan 8.280 nan 0.000 0.452 1571 E N 1.381 121.613 120.200 0.053 0.000 2.438 1571 E HA 0.102 4.442 4.350 -0.017 0.000 0.261 1571 E C -1.420 175.311 176.600 0.218 0.000 1.103 1571 E CA -0.162 56.269 56.400 0.050 0.000 0.959 1571 E CB 0.757 30.509 29.700 0.087 0.000 0.958 1571 E HN 0.613 nan 8.360 nan 0.000 0.447 1572 W N 3.872 125.143 121.300 -0.048 0.000 2.329 1572 W HA 0.332 4.983 4.660 -0.014 0.000 0.312 1572 W C -1.842 174.687 176.519 0.017 0.000 1.054 1572 W CA -2.522 54.824 57.345 0.001 0.000 1.245 1572 W CB 0.464 29.904 29.460 -0.033 0.000 1.255 1572 W HN 0.636 nan 8.180 nan 0.000 0.436 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.144 63.100 0.073 0.000 0.800 1573 P CB 0.000 31.717 31.700 0.029 0.000 0.726