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 2oin_1_B DATA FIRST_RESID 1027 DATA SEQUENCE APITAYAQQT RGLLGCIITS LTGRDKNQVE GEVQIVSTAT QTFLATCING DATA SEQUENCE VCWTVYHGAG TRTIASPKGP VIQMYTNVDQ DLVGWPAPQG SRSLTPCTCG DATA SEQUENCE SSDLYLVTRH ADVIPVRRRG DSRGSLLSPR PISYLKGSSG GPLLCPAGHA DATA SEQUENCE VGLFKAAVCT RGVAKAVDFI PVENLETTMR S 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 1027 A HA 0.000 nan 4.320 nan 0.000 0.244 1027 A C 0.000 177.551 177.584 -0.055 0.000 1.274 1027 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1027 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 1028 P HA 0.449 nan 4.420 nan 0.000 0.271 1028 P C -0.451 176.789 177.300 -0.099 0.000 1.220 1028 P CA 0.026 63.069 63.100 -0.094 0.000 0.768 1028 P CB 0.379 32.039 31.700 -0.068 0.000 0.848 1029 I N 2.997 123.474 120.570 -0.155 0.000 2.505 1029 I HA 0.090 4.260 4.170 0.000 0.000 0.287 1029 I C 0.936 177.006 176.117 -0.078 0.000 1.104 1029 I CA 0.370 61.594 61.300 -0.127 0.000 1.387 1029 I CB 0.131 38.021 38.000 -0.183 0.000 1.404 1029 I HN 0.477 nan 8.210 nan 0.000 0.528 1030 T N 3.161 117.691 114.554 -0.040 0.000 2.893 1030 T HA 0.852 5.202 4.350 0.000 0.000 0.293 1030 T C -0.640 174.063 174.700 0.006 0.000 1.027 1030 T CA -0.854 61.245 62.100 -0.002 0.000 0.988 1030 T CB 2.141 71.023 68.868 0.023 0.000 1.043 1030 T HN 0.633 nan 8.240 nan 0.000 0.461 1031 A N 2.264 125.099 122.820 0.026 0.000 2.435 1031 A HA 0.885 5.206 4.320 0.000 0.000 0.304 1031 A C -1.360 176.278 177.584 0.091 0.000 1.064 1031 A CA -1.143 50.890 52.037 -0.008 0.000 0.727 1031 A CB 1.207 20.194 19.000 -0.022 0.000 1.284 1031 A HN 1.281 nan 8.150 nan 0.000 0.415 1032 Y N -0.881 119.425 120.300 0.010 0.000 2.512 1032 Y HA 0.839 5.389 4.550 0.000 0.000 0.348 1032 Y C -0.158 175.752 175.900 0.016 0.000 0.990 1032 Y CA -1.124 56.984 58.100 0.014 0.000 1.033 1032 Y CB 1.253 39.717 38.460 0.007 0.000 1.259 1032 Y HN 0.935 nan 8.280 nan 0.000 0.461 1033 A N 2.769 125.719 122.820 0.215 0.000 2.312 1033 A HA 0.750 5.071 4.320 0.000 0.000 0.328 1033 A C -0.972 176.731 177.584 0.199 0.000 1.158 1033 A CA -0.862 51.254 52.037 0.131 0.000 0.821 1033 A CB 1.104 20.164 19.000 0.101 0.000 1.170 1033 A HN 0.843 nan 8.150 nan 0.000 0.490 1034 Q N 0.700 120.578 119.800 0.131 0.000 2.285 1034 Q HA 0.316 4.656 4.340 0.000 0.000 0.269 1034 Q C -1.044 174.989 176.000 0.055 0.000 1.030 1034 Q CA -0.408 55.462 55.803 0.111 0.000 0.788 1034 Q CB 2.451 31.274 28.738 0.142 0.000 1.266 1034 Q HN 0.849 nan 8.270 nan 0.000 0.438 1035 Q N 0.876 120.700 119.800 0.041 0.000 2.288 1035 Q HA 0.227 4.567 4.340 0.000 0.000 0.254 1035 Q C 0.221 176.228 176.000 0.011 0.000 0.932 1035 Q CA 0.361 56.176 55.803 0.020 0.000 0.902 1035 Q CB 0.809 29.558 28.738 0.019 0.000 1.203 1035 Q HN 0.809 nan 8.270 nan 0.000 0.415 1036 T N 0.723 115.276 114.554 -0.003 0.000 3.043 1036 T HA 0.270 4.620 4.350 0.000 0.000 0.272 1036 T C 0.006 174.696 174.700 -0.016 0.000 0.990 1036 T CA -0.458 61.637 62.100 -0.009 0.000 0.897 1036 T CB 0.178 69.037 68.868 -0.015 0.000 1.111 1036 T HN 0.738 nan 8.240 nan 0.000 0.529 1037 R N -0.727 119.762 120.500 -0.018 0.000 2.728 1037 R HA 0.660 5.000 4.340 0.000 0.000 0.274 1037 R C -0.750 175.541 176.300 -0.015 0.000 1.032 1037 R CA -0.900 55.189 56.100 -0.019 0.000 0.866 1037 R CB 0.472 30.755 30.300 -0.028 0.000 1.263 1037 R HN 0.078 nan 8.270 nan 0.000 0.475 1038 G N 0.226 109.018 108.800 -0.013 0.000 2.705 1038 G HA2 0.364 4.324 3.960 0.000 0.000 0.299 1038 G HA3 0.364 4.324 3.960 0.000 0.000 0.299 1038 G C 0.565 175.459 174.900 -0.009 0.000 1.315 1038 G CA -0.992 44.103 45.100 -0.008 0.000 1.045 1038 G HN 0.360 nan 8.290 nan 0.000 0.517 1039 L N -0.572 120.648 121.223 -0.004 0.000 1.991 1039 L HA -0.136 4.204 4.340 0.000 0.000 0.221 1039 L C 2.824 179.690 176.870 -0.006 0.000 1.079 1039 L CA 1.951 56.789 54.840 -0.003 0.000 0.778 1039 L CB -0.774 41.287 42.059 0.002 0.000 0.893 1039 L HN 0.509 nan 8.230 nan 0.000 0.437 1040 L N -0.116 121.104 121.223 -0.006 0.000 2.093 1040 L HA -0.016 4.324 4.340 0.000 0.000 0.208 1040 L C 2.385 179.248 176.870 -0.011 0.000 1.085 1040 L CA 2.009 56.845 54.840 -0.007 0.000 0.755 1040 L CB -1.145 40.910 42.059 -0.006 0.000 0.904 1040 L HN 0.255 nan 8.230 nan 0.000 0.435 1041 G N -1.385 107.407 108.800 -0.014 0.000 2.408 1041 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 1041 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 1041 G C 1.816 176.701 174.900 -0.025 0.000 1.150 1041 G CA 0.877 45.966 45.100 -0.019 0.000 0.776 1041 G HN 0.568 nan 8.290 nan 0.000 0.542 1042 C N 0.504 119.789 119.300 -0.026 0.000 2.436 1042 C HA 0.045 4.506 4.460 0.000 0.000 0.277 1042 C C 2.857 177.830 174.990 -0.028 0.000 1.241 1042 C CA 0.927 59.925 59.018 -0.033 0.000 1.721 1042 C CB -1.086 26.635 27.740 -0.031 0.000 2.043 1042 C HN 0.458 nan 8.230 nan 0.000 0.472 1043 I N 0.977 121.537 120.570 -0.018 0.000 2.194 1043 I HA -0.223 3.947 4.170 0.000 0.000 0.246 1043 I C 2.395 178.503 176.117 -0.015 0.000 1.093 1043 I CA 2.031 63.323 61.300 -0.013 0.000 1.355 1043 I CB -0.495 37.501 38.000 -0.006 0.000 1.046 1043 I HN 0.376 nan 8.210 nan 0.000 0.413 1044 I N 0.261 120.821 120.570 -0.017 0.000 2.286 1044 I HA -0.243 3.927 4.170 0.000 0.000 0.248 1044 I C 2.380 178.483 176.117 -0.024 0.000 1.115 1044 I CA 1.504 62.794 61.300 -0.017 0.000 1.392 1044 I CB -0.528 37.462 38.000 -0.016 0.000 1.065 1044 I HN 0.226 nan 8.210 nan 0.000 0.418 1045 T N -0.906 113.630 114.554 -0.031 0.000 3.014 1045 T HA -0.101 4.249 4.350 0.000 0.000 0.263 1045 T C 2.048 176.720 174.700 -0.047 0.000 1.078 1045 T CA 1.250 63.325 62.100 -0.041 0.000 1.135 1045 T CB -0.053 68.784 68.868 -0.051 0.000 0.895 1045 T HN 0.287 nan 8.240 nan 0.000 0.480 1046 S N 0.908 116.583 115.700 -0.041 0.000 2.383 1046 S HA -0.038 4.433 4.470 0.000 0.000 0.229 1046 S C 1.866 176.451 174.600 -0.026 0.000 1.030 1046 S CA 0.957 59.135 58.200 -0.037 0.000 1.002 1046 S CB -0.380 62.806 63.200 -0.024 0.000 0.829 1046 S HN 0.428 nan 8.310 nan 0.000 0.467 1047 L N 0.588 121.798 121.223 -0.021 0.000 2.130 1047 L HA 0.025 4.365 4.340 0.000 0.000 0.200 1047 L C 2.969 179.828 176.870 -0.018 0.000 1.075 1047 L CA 1.545 56.377 54.840 -0.015 0.000 0.768 1047 L CB -1.615 40.438 42.059 -0.010 0.000 0.933 1047 L HN 0.441 nan 8.230 nan 0.000 0.451 1048 T N -2.150 112.391 114.554 -0.021 0.000 2.849 1048 T HA -0.096 4.254 4.350 0.000 0.000 0.270 1048 T C 1.613 176.296 174.700 -0.029 0.000 1.066 1048 T CA 0.897 62.984 62.100 -0.023 0.000 1.130 1048 T CB -0.650 68.204 68.868 -0.024 0.000 0.864 1048 T HN 0.542 nan 8.240 nan 0.000 0.481 1049 G N 1.545 110.322 108.800 -0.038 0.000 2.187 1049 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 1049 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 1049 G C 0.120 174.986 174.900 -0.057 0.000 1.000 1049 G CA 0.409 45.478 45.100 -0.050 0.000 0.718 1049 G HN 0.886 nan 8.290 nan 0.000 0.519 1050 R N 0.316 120.786 120.500 -0.050 0.000 2.360 1050 R HA 0.517 4.857 4.340 0.000 0.000 0.318 1050 R C -1.636 174.632 176.300 -0.054 0.000 0.950 1050 R CA -0.717 55.353 56.100 -0.049 0.000 0.837 1050 R CB 0.902 31.181 30.300 -0.036 0.000 1.165 1050 R HN 0.094 nan 8.270 nan 0.000 0.458 1051 D N 3.147 123.508 120.400 -0.063 0.000 2.481 1051 D HA 0.221 4.861 4.640 0.000 0.000 0.246 1051 D C -0.182 176.085 176.300 -0.054 0.000 1.109 1051 D CA -0.478 53.483 54.000 -0.065 0.000 0.845 1051 D CB 1.533 42.281 40.800 -0.087 0.000 1.160 1051 D HN 0.349 nan 8.370 nan 0.000 0.534 1052 K N 2.173 122.547 120.400 -0.043 0.000 2.354 1052 K HA 0.153 4.473 4.320 0.000 0.000 0.194 1052 K C 0.060 176.640 176.600 -0.033 0.000 1.038 1052 K CA -0.259 56.007 56.287 -0.035 0.000 1.052 1052 K CB 0.022 32.505 32.500 -0.028 0.000 0.861 1052 K HN 0.372 nan 8.250 nan 0.000 0.535 1053 N N 2.541 121.219 118.700 -0.036 0.000 2.395 1053 N HA -0.059 4.681 4.740 0.000 0.000 0.246 1053 N C 0.411 175.902 175.510 -0.032 0.000 1.246 1053 N CA 0.405 53.436 53.050 -0.032 0.000 0.879 1053 N CB 0.232 38.697 38.487 -0.036 0.000 1.098 1053 N HN 0.226 nan 8.380 nan 0.000 0.444 1054 Q N 0.382 120.168 119.800 -0.023 0.000 2.340 1054 Q HA 0.476 4.816 4.340 0.000 0.000 0.249 1054 Q C -0.283 175.704 176.000 -0.022 0.000 0.957 1054 Q CA -0.567 55.224 55.803 -0.020 0.000 0.882 1054 Q CB 0.604 29.336 28.738 -0.011 0.000 1.235 1054 Q HN 0.481 nan 8.270 nan 0.000 0.439 1055 V N 2.182 122.083 119.914 -0.023 0.000 2.513 1055 V HA 0.603 4.723 4.120 0.000 0.000 0.299 1055 V C -0.289 175.795 176.094 -0.015 0.000 1.035 1055 V CA -0.533 61.752 62.300 -0.025 0.000 0.889 1055 V CB 1.561 33.362 31.823 -0.035 0.000 0.988 1055 V HN 1.051 nan 8.190 nan 0.000 0.440 1056 E N 1.689 121.879 120.200 -0.015 0.000 2.429 1056 E HA 0.731 5.081 4.350 0.000 0.000 0.276 1056 E C -0.140 176.442 176.600 -0.030 0.000 0.953 1056 E CA -0.335 56.058 56.400 -0.012 0.000 0.787 1056 E CB 2.486 32.189 29.700 0.004 0.000 1.307 1056 E HN 1.122 nan 8.360 nan 0.000 0.458 1057 G N 0.898 109.676 108.800 -0.037 0.000 2.712 1057 G HA2 -0.204 3.756 3.960 0.000 0.000 0.683 1057 G HA3 -0.204 3.756 3.960 0.000 0.000 0.683 1057 G C -0.153 174.721 174.900 -0.042 0.000 1.320 1057 G CA -0.231 44.830 45.100 -0.066 0.000 0.847 1057 G HN 0.541 nan 8.290 nan 0.000 0.553 1058 E N -1.499 118.671 120.200 -0.049 0.000 2.364 1058 E HA 0.353 4.703 4.350 0.000 0.000 0.196 1058 E C 0.866 177.468 176.600 0.004 0.000 0.990 1058 E CA 0.754 57.144 56.400 -0.016 0.000 0.886 1058 E CB 0.904 30.588 29.700 -0.026 0.000 0.866 1058 E HN 0.567 nan 8.360 nan 0.000 0.493 1059 V N 2.311 122.214 119.914 -0.017 0.000 2.444 1059 V HA 0.274 4.394 4.120 0.000 0.000 0.294 1059 V C -0.598 175.488 176.094 -0.014 0.000 1.022 1059 V CA -1.004 61.298 62.300 0.004 0.000 0.850 1059 V CB 1.668 33.491 31.823 0.000 0.000 0.992 1059 V HN 0.003 nan 8.190 nan 0.000 0.426 1060 Q N 4.043 123.842 119.800 -0.001 0.000 2.243 1060 Q HA 0.555 4.895 4.340 0.000 0.000 0.252 1060 Q C -0.452 175.517 176.000 -0.053 0.000 0.909 1060 Q CA -0.356 55.425 55.803 -0.036 0.000 0.922 1060 Q CB 2.414 31.124 28.738 -0.047 0.000 1.215 1060 Q HN 0.664 nan 8.270 nan 0.000 0.427 1061 I N 3.140 123.667 120.570 -0.072 0.000 2.337 1061 I HA 0.185 4.355 4.170 0.000 0.000 0.291 1061 I C 0.430 176.446 176.117 -0.168 0.000 1.046 1061 I CA -0.754 60.488 61.300 -0.096 0.000 1.324 1061 I CB 0.557 38.521 38.000 -0.061 0.000 1.409 1061 I HN 0.255 nan 8.210 nan 0.000 0.494 1062 V N 2.428 122.165 119.914 -0.295 0.000 2.881 1062 V HA 0.772 4.892 4.120 0.000 0.000 0.316 1062 V C -0.284 175.510 176.094 -0.501 0.000 1.070 1062 V CA -0.363 61.690 62.300 -0.412 0.000 0.976 1062 V CB 1.943 33.453 31.823 -0.522 0.000 1.038 1062 V HN 0.673 nan 8.190 nan 0.000 0.446 1063 S N 0.813 116.307 115.700 -0.344 0.000 2.546 1063 S HA 0.823 5.293 4.470 0.000 0.000 0.274 1063 S C -0.118 174.428 174.600 -0.090 0.000 1.121 1063 S CA 0.118 58.200 58.200 -0.196 0.000 0.887 1063 S CB 2.075 65.218 63.200 -0.096 0.000 1.094 1063 S HN 1.457 nan 8.310 nan 0.000 0.474 1064 T N 0.701 115.279 114.554 0.040 0.000 2.849 1064 T HA 0.771 5.121 4.350 0.000 0.000 0.272 1064 T C 1.510 176.241 174.700 0.052 0.000 1.046 1064 T CA 0.020 62.165 62.100 0.074 0.000 0.983 1064 T CB -0.013 68.954 68.868 0.164 0.000 1.721 1064 T HN 0.629 nan 8.240 nan 0.000 0.594 1065 A N 0.894 123.746 122.820 0.054 0.000 1.832 1065 A HA 0.055 4.375 4.320 0.000 0.000 0.214 1065 A C 2.578 180.194 177.584 0.053 0.000 1.200 1065 A CA 2.502 54.564 52.037 0.042 0.000 0.610 1065 A CB -1.886 17.134 19.000 0.035 0.000 0.842 1065 A HN 1.030 nan 8.150 nan 0.000 0.444 1066 T N -0.531 114.063 114.554 0.066 0.000 2.590 1066 T HA -0.038 4.312 4.350 0.000 0.000 0.257 1066 T C 1.038 175.796 174.700 0.096 0.000 1.080 1066 T CA 1.151 63.294 62.100 0.071 0.000 1.180 1066 T CB -0.708 68.200 68.868 0.066 0.000 0.865 1066 T HN 0.733 nan 8.240 nan 0.000 0.403 1067 Q N 0.333 120.220 119.800 0.145 0.000 2.297 1067 Q HA 0.649 4.989 4.340 0.000 0.000 0.269 1067 Q C -0.878 175.291 176.000 0.280 0.000 1.051 1067 Q CA -1.084 54.839 55.803 0.200 0.000 0.869 1067 Q CB 1.916 30.775 28.738 0.201 0.000 1.346 1067 Q HN 0.302 nan 8.270 nan 0.000 0.457 1068 T N 0.592 115.310 114.554 0.274 0.000 2.876 1068 T HA 0.736 5.086 4.350 0.000 0.000 0.289 1068 T C -1.201 173.691 174.700 0.319 0.000 1.014 1068 T CA -0.495 61.709 62.100 0.173 0.000 0.986 1068 T CB 0.656 69.550 68.868 0.044 0.000 1.021 1068 T HN 0.626 nan 8.240 nan 0.000 0.458 1069 F N 1.948 121.924 119.950 0.043 0.000 3.129 1069 F HA 0.781 5.308 4.527 0.000 0.000 0.326 1069 F C -1.917 173.917 175.800 0.057 0.000 1.202 1069 F CA -1.615 56.419 58.000 0.056 0.000 0.929 1069 F CB 0.989 40.019 39.000 0.049 0.000 1.473 1069 F HN 0.429 nan 8.300 nan 0.000 0.512 1070 L N 1.309 122.678 121.223 0.243 0.000 2.333 1070 L HA 0.888 5.228 4.340 0.000 0.000 0.269 1070 L C -0.686 176.306 176.870 0.202 0.000 1.010 1070 L CA -1.261 53.654 54.840 0.126 0.000 0.818 1070 L CB 1.896 44.040 42.059 0.141 0.000 1.306 1070 L HN 0.888 nan 8.230 nan 0.000 0.430 1071 A N 0.874 123.776 122.820 0.137 0.000 2.356 1071 A HA 0.766 5.086 4.320 0.000 0.000 0.310 1071 A C -0.610 177.081 177.584 0.179 0.000 1.075 1071 A CA -0.421 51.748 52.037 0.220 0.000 0.746 1071 A CB 1.472 20.618 19.000 0.244 0.000 1.221 1071 A HN 0.613 nan 8.150 nan 0.000 0.443 1072 T N 1.396 116.085 114.554 0.224 0.000 2.824 1072 T HA 0.408 4.758 4.350 0.000 0.000 0.280 1072 T C -0.346 174.495 174.700 0.234 0.000 0.995 1072 T CA -0.186 62.025 62.100 0.184 0.000 1.009 1072 T CB 0.728 69.695 68.868 0.166 0.000 0.955 1072 T HN 0.664 nan 8.240 nan 0.000 0.452 1073 C N 4.445 123.847 119.300 0.168 0.000 2.303 1073 C HA 0.573 5.033 4.460 0.000 0.000 0.341 1073 C C 0.302 175.407 174.990 0.192 0.000 1.244 1073 C CA -0.874 58.253 59.018 0.182 0.000 1.765 1073 C CB -1.770 26.035 27.740 0.108 0.000 2.379 1073 C HN 0.720 nan 8.230 nan 0.000 0.530 1074 I N 3.783 124.532 120.570 0.299 0.000 2.465 1074 I HA 0.317 4.487 4.170 0.000 0.000 0.291 1074 I C -0.132 176.136 176.117 0.252 0.000 1.014 1074 I CA -0.350 61.093 61.300 0.237 0.000 1.093 1074 I CB 1.323 39.444 38.000 0.203 0.000 1.267 1074 I HN 0.573 nan 8.210 nan 0.000 0.431 1075 N N 4.754 123.552 118.700 0.164 0.000 2.714 1075 N HA -0.205 4.535 4.740 0.000 0.000 0.252 1075 N C 0.855 176.455 175.510 0.150 0.000 1.014 1075 N CA 1.487 54.624 53.050 0.146 0.000 0.735 1075 N CB -0.833 37.744 38.487 0.149 0.000 0.924 1075 N HN 1.158 nan 8.380 nan 0.000 0.540 1076 G N -3.382 105.494 108.800 0.125 0.000 2.179 1076 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 1076 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 1076 G C -0.042 174.911 174.900 0.089 0.000 0.977 1076 G CA 0.364 45.522 45.100 0.096 0.000 0.641 1076 G HN 0.588 nan 8.290 nan 0.000 0.533 1077 V N 0.298 120.277 119.914 0.108 0.000 2.540 1077 V HA 0.562 4.682 4.120 0.000 0.000 0.302 1077 V C 0.579 176.640 176.094 -0.055 0.000 1.035 1077 V CA -0.560 61.715 62.300 -0.040 0.000 0.873 1077 V CB 1.780 33.483 31.823 -0.199 0.000 0.992 1077 V HN 0.564 nan 8.190 nan 0.000 0.428 1078 C N 6.559 125.832 119.300 -0.047 0.000 2.256 1078 C HA 0.561 5.021 4.460 0.000 0.000 0.333 1078 C C -0.377 174.662 174.990 0.081 0.000 1.183 1078 C CA -0.851 58.236 59.018 0.115 0.000 1.692 1078 C CB -1.347 26.522 27.740 0.214 0.000 2.274 1078 C HN 0.821 nan 8.230 nan 0.000 0.509 1079 W N 4.119 125.526 121.300 0.178 0.000 2.448 1079 W HA 0.655 5.315 4.660 0.000 0.000 0.339 1079 W C 0.669 177.282 176.519 0.158 0.000 1.124 1079 W CA -0.089 57.327 57.345 0.118 0.000 1.262 1079 W CB 1.504 31.006 29.460 0.070 0.000 1.251 1079 W HN 0.670 nan 8.180 nan 0.000 0.597 1080 T N -0.366 114.411 114.554 0.370 0.000 2.693 1080 T HA 0.407 4.757 4.350 0.000 0.000 0.304 1080 T C -1.311 173.501 174.700 0.187 0.000 1.471 1080 T CA -0.767 61.523 62.100 0.317 0.000 0.993 1080 T CB 0.285 69.427 68.868 0.457 0.000 1.554 1080 T HN 0.465 nan 8.240 nan 0.000 0.496 1081 V N 2.346 122.298 119.914 0.064 0.000 2.583 1081 V HA 0.415 4.535 4.120 0.000 0.000 0.287 1081 V C 1.143 177.137 176.094 -0.166 0.000 1.051 1081 V CA -0.278 61.949 62.300 -0.122 0.000 1.010 1081 V CB 0.382 31.908 31.823 -0.494 0.000 0.988 1081 V HN 0.924 nan 8.190 nan 0.000 0.478 1082 Y N 4.268 124.490 120.300 -0.129 0.000 2.274 1082 Y HA -0.213 4.337 4.550 0.000 0.000 0.290 1082 Y C 2.382 178.214 175.900 -0.114 0.000 1.145 1082 Y CA 2.344 60.391 58.100 -0.088 0.000 1.203 1082 Y CB -0.144 38.302 38.460 -0.022 0.000 0.984 1082 Y HN 0.922 nan 8.280 nan 0.000 0.533 1083 H N -2.336 116.713 119.070 -0.033 0.000 2.553 1083 H HA 0.210 4.766 4.556 0.000 0.000 0.269 1083 H C 1.547 176.685 175.328 -0.317 0.000 1.011 1083 H CA 0.766 56.744 56.048 -0.118 0.000 1.150 1083 H CB -0.087 29.638 29.762 -0.062 0.000 1.339 1083 H HN 0.465 nan 8.280 nan 0.000 0.604 1084 G N 0.173 108.508 108.800 -0.775 0.000 2.828 1084 G HA2 0.191 4.151 3.960 0.000 0.000 0.201 1084 G HA3 0.191 4.151 3.960 0.000 0.000 0.201 1084 G C 1.632 176.246 174.900 -0.477 0.000 1.102 1084 G CA 0.404 44.802 45.100 -1.170 0.000 0.815 1084 G HN 0.461 nan 8.290 nan 0.000 0.590 1085 A N -0.077 122.612 122.820 -0.217 0.000 2.044 1085 A HA 0.517 4.837 4.320 0.000 0.000 0.213 1085 A C 1.975 179.498 177.584 -0.102 0.000 1.169 1085 A CA 1.521 53.646 52.037 0.146 0.000 0.724 1085 A CB -0.702 18.491 19.000 0.322 0.000 0.840 1085 A HN 1.686 nan 8.150 nan 0.000 0.463 1086 G N -0.362 108.142 108.800 -0.493 0.000 2.611 1086 G HA2 -0.391 3.569 3.960 0.000 0.000 0.301 1086 G HA3 -0.391 3.569 3.960 0.000 0.000 0.301 1086 G C 1.029 175.648 174.900 -0.469 0.000 1.233 1086 G CA 1.787 46.423 45.100 -0.772 0.000 0.993 1086 G HN 1.356 nan 8.290 nan 0.000 0.553 1087 T N -0.823 113.634 114.554 -0.162 0.000 3.086 1087 T HA 0.383 4.733 4.350 0.000 0.000 0.250 1087 T C 1.124 175.863 174.700 0.065 0.000 1.074 1087 T CA 0.762 62.865 62.100 0.005 0.000 0.988 1087 T CB 0.007 68.910 68.868 0.060 0.000 0.988 1087 T HN 0.731 nan 8.240 nan 0.000 0.530 1088 R N 2.720 123.278 120.500 0.097 0.000 2.756 1088 R HA 0.313 4.653 4.340 0.000 0.000 0.264 1088 R C 0.761 177.259 176.300 0.329 0.000 1.026 1088 R CA 0.213 56.417 56.100 0.174 0.000 1.121 1088 R CB 0.176 30.579 30.300 0.170 0.000 0.999 1088 R HN 0.479 nan 8.270 nan 0.000 0.449 1089 T N -0.525 114.165 114.554 0.227 0.000 2.868 1089 T HA 0.333 4.683 4.350 0.000 0.000 0.292 1089 T C 0.445 175.151 174.700 0.010 0.000 1.028 1089 T CA -0.779 61.461 62.100 0.234 0.000 1.059 1089 T CB 0.851 69.770 68.868 0.086 0.000 0.991 1089 T HN 0.478 nan 8.240 nan 0.000 0.531 1090 I N 1.399 121.737 120.570 -0.386 0.000 2.359 1090 I HA 0.561 4.732 4.170 0.000 0.000 0.294 1090 I C 0.486 176.373 176.117 -0.383 0.000 0.987 1090 I CA -0.958 59.897 61.300 -0.742 0.000 1.225 1090 I CB 0.914 37.982 38.000 -1.554 0.000 1.366 1090 I HN 0.985 nan 8.210 nan 0.000 0.466 1091 A N 5.716 128.360 122.820 -0.292 0.000 2.477 1091 A HA 0.511 4.831 4.320 0.000 0.000 0.246 1091 A C 0.034 177.507 177.584 -0.184 0.000 1.078 1091 A CA 0.331 52.257 52.037 -0.185 0.000 0.770 1091 A CB 0.145 19.058 19.000 -0.145 0.000 1.011 1091 A HN 0.815 nan 8.150 nan 0.000 0.494 1092 S N 1.619 117.241 115.700 -0.130 0.000 2.720 1092 S HA 0.730 5.200 4.470 0.000 0.000 0.287 1092 S C -2.586 171.970 174.600 -0.074 0.000 1.168 1092 S CA -1.041 57.094 58.200 -0.109 0.000 0.832 1092 S CB 1.255 64.394 63.200 -0.103 0.000 1.166 1092 S HN 0.221 nan 8.310 nan 0.000 0.493 1093 P HA 0.082 nan 4.420 nan 0.000 0.220 1093 P C 0.170 177.447 177.300 -0.038 0.000 1.148 1093 P CA 1.142 64.216 63.100 -0.044 0.000 0.803 1093 P CB -0.025 31.654 31.700 -0.037 0.000 0.782 1094 K N -0.270 120.107 120.400 -0.038 0.000 2.681 1094 K HA 0.424 4.744 4.320 0.000 0.000 0.211 1094 K C 0.647 177.228 176.600 -0.032 0.000 1.075 1094 K CA -0.032 56.237 56.287 -0.030 0.000 1.141 1094 K CB 0.130 32.615 32.500 -0.025 0.000 0.896 1094 K HN 0.091 nan 8.250 nan 0.000 0.470 1095 G N 2.777 111.553 108.800 -0.038 0.000 2.760 1095 G HA2 -0.199 3.761 3.960 0.000 0.000 0.246 1095 G HA3 -0.199 3.761 3.960 0.000 0.000 0.246 1095 G C -2.899 171.973 174.900 -0.047 0.000 1.359 1095 G CA -1.188 43.890 45.100 -0.038 0.000 0.861 1095 G HN 0.051 nan 8.290 nan 0.000 0.541 1096 P HA 0.427 nan 4.420 nan 0.000 0.269 1096 P C -0.222 177.059 177.300 -0.033 0.000 1.209 1096 P CA -0.069 63.002 63.100 -0.049 0.000 0.776 1096 P CB 1.207 32.891 31.700 -0.027 0.000 0.876 1097 V N 4.416 124.304 119.914 -0.042 0.000 2.495 1097 V HA 0.330 4.450 4.120 0.000 0.000 0.298 1097 V C 0.687 176.854 176.094 0.122 0.000 1.031 1097 V CA -0.821 61.485 62.300 0.010 0.000 0.871 1097 V CB 1.623 33.434 31.823 -0.021 0.000 0.988 1097 V HN 0.388 nan 8.190 nan 0.000 0.432 1098 I N 3.403 124.048 120.570 0.124 0.000 2.581 1098 I HA 0.229 4.399 4.170 0.000 0.000 0.288 1098 I C 0.678 176.900 176.117 0.176 0.000 1.047 1098 I CA -0.378 61.011 61.300 0.149 0.000 1.374 1098 I CB 0.801 38.832 38.000 0.052 0.000 1.423 1098 I HN 0.626 nan 8.210 nan 0.000 0.549 1099 Q N 4.830 124.679 119.800 0.083 0.000 2.315 1099 Q HA 0.028 4.368 4.340 0.000 0.000 0.289 1099 Q C 0.676 176.532 176.000 -0.240 0.000 1.044 1099 Q CA 0.357 56.022 55.803 -0.231 0.000 0.920 1099 Q CB 0.868 29.380 28.738 -0.377 0.000 1.214 1099 Q HN 0.640 nan 8.270 nan 0.000 0.392 1100 M N 1.320 120.695 119.600 -0.376 0.000 2.193 1100 M HA -0.047 4.433 4.480 0.000 0.000 0.265 1100 M C -0.281 175.496 176.300 -0.872 0.000 1.071 1100 M CA 1.467 56.373 55.300 -0.657 0.000 1.140 1100 M CB 0.307 32.372 32.600 -0.891 0.000 1.369 1100 M HN 0.525 nan 8.290 nan 0.000 0.423 1101 Y N -0.927 119.226 120.300 -0.246 0.000 2.499 1101 Y HA 0.463 5.013 4.550 0.000 0.000 0.347 1101 Y C -0.393 175.430 175.900 -0.129 0.000 0.987 1101 Y CA -1.083 56.927 58.100 -0.150 0.000 1.044 1101 Y CB 1.824 40.204 38.460 -0.133 0.000 1.245 1101 Y HN -0.210 nan 8.280 nan 0.000 0.461 1102 T N 2.203 116.826 114.554 0.115 0.000 2.933 1102 T HA 0.338 4.688 4.350 0.000 0.000 0.305 1102 T C -1.485 173.258 174.700 0.071 0.000 1.092 1102 T CA -1.059 61.094 62.100 0.088 0.000 1.008 1102 T CB 1.435 70.343 68.868 0.067 0.000 1.102 1102 T HN 0.547 nan 8.240 nan 0.000 0.469 1103 N N 2.409 121.123 118.700 0.022 0.000 2.732 1103 N HA 0.140 4.881 4.740 0.000 0.000 0.247 1103 N C 0.722 176.109 175.510 -0.205 0.000 1.305 1103 N CA -0.224 52.794 53.050 -0.054 0.000 0.762 1103 N CB 0.995 39.493 38.487 0.019 0.000 1.361 1103 N HN 0.314 nan 8.380 nan 0.000 0.545 1104 V N 1.402 121.068 119.914 -0.413 0.000 2.453 1104 V HA -0.202 3.918 4.120 0.000 0.000 0.252 1104 V C 1.753 177.655 176.094 -0.319 0.000 1.068 1104 V CA 1.740 63.631 62.300 -0.682 0.000 1.070 1104 V CB -0.143 31.301 31.823 -0.632 0.000 0.664 1104 V HN 0.580 nan 8.190 nan 0.000 0.461 1105 D N -0.558 119.728 120.400 -0.189 0.000 2.103 1105 D HA -0.128 4.512 4.640 0.000 0.000 0.199 1105 D C 2.231 178.481 176.300 -0.084 0.000 0.978 1105 D CA 0.987 54.918 54.000 -0.115 0.000 0.829 1105 D CB -0.062 40.686 40.800 -0.087 0.000 0.981 1105 D HN 0.385 nan 8.370 nan 0.000 0.464 1106 Q N 0.586 120.343 119.800 -0.072 0.000 2.436 1106 Q HA -0.078 4.262 4.340 0.000 0.000 0.209 1106 Q C 0.057 176.048 176.000 -0.015 0.000 0.965 1106 Q CA 0.405 56.180 55.803 -0.046 0.000 0.910 1106 Q CB -0.166 28.549 28.738 -0.038 0.000 0.980 1106 Q HN 0.226 nan 8.270 nan 0.000 0.491 1107 D N -0.721 119.675 120.400 -0.007 0.000 2.746 1107 D HA -0.173 4.467 4.640 0.000 0.000 0.236 1107 D C -1.160 175.215 176.300 0.126 0.000 1.129 1107 D CA 0.373 54.425 54.000 0.088 0.000 0.691 1107 D CB -1.153 39.715 40.800 0.113 0.000 1.077 1107 D HN 0.195 nan 8.370 nan 0.000 0.432 1108 L N -0.632 120.667 121.223 0.126 0.000 2.333 1108 L HA 0.822 5.163 4.340 0.000 0.000 0.269 1108 L C 0.031 177.037 176.870 0.227 0.000 1.010 1108 L CA -0.984 53.972 54.840 0.194 0.000 0.818 1108 L CB 2.284 44.460 42.059 0.196 0.000 1.306 1108 L HN -0.149 nan 8.230 nan 0.000 0.430 1109 V N 0.529 120.566 119.914 0.204 0.000 2.969 1109 V HA 0.776 4.896 4.120 0.000 0.000 0.304 1109 V C -0.477 175.473 176.094 -0.240 0.000 1.192 1109 V CA -0.492 61.770 62.300 -0.063 0.000 0.962 1109 V CB 2.242 33.913 31.823 -0.253 0.000 1.045 1109 V HN 0.843 nan 8.190 nan 0.000 0.428 1110 G N 2.882 111.360 108.800 -0.538 0.000 2.701 1110 G HA2 0.674 4.634 3.960 0.000 0.000 0.300 1110 G HA3 0.674 4.634 3.960 0.000 0.000 0.300 1110 G C -1.582 172.928 174.900 -0.651 0.000 1.410 1110 G CA -0.414 44.241 45.100 -0.741 0.000 1.014 1110 G HN 0.482 nan 8.290 nan 0.000 0.509 1111 W N 0.659 121.827 121.300 -0.220 0.000 2.655 1111 W HA 0.435 5.095 4.660 0.000 0.000 0.358 1111 W C -2.301 174.114 176.519 -0.172 0.000 1.100 1111 W CA -2.103 55.142 57.345 -0.167 0.000 1.195 1111 W CB 1.697 31.096 29.460 -0.102 0.000 1.403 1111 W HN 0.273 nan 8.180 nan 0.000 0.589 1112 P HA 0.067 nan 4.420 nan 0.000 0.268 1112 P C -0.276 177.063 177.300 0.065 0.000 1.204 1112 P CA 0.267 63.395 63.100 0.046 0.000 0.768 1112 P CB 0.313 32.028 31.700 0.025 0.000 0.842 1113 A N 5.714 128.562 122.820 0.046 0.000 2.488 1113 A HA 0.327 4.647 4.320 0.000 0.000 0.249 1113 A C -1.896 175.700 177.584 0.020 0.000 1.083 1113 A CA -0.951 51.114 52.037 0.046 0.000 0.768 1113 A CB -1.284 17.748 19.000 0.053 0.000 1.017 1113 A HN 0.424 nan 8.150 nan 0.000 0.496 1114 P HA 0.014 nan 4.420 nan 0.000 0.266 1114 P C -0.356 176.935 177.300 -0.014 0.000 1.193 1114 P CA 0.101 63.185 63.100 -0.027 0.000 0.770 1114 P CB 0.365 32.035 31.700 -0.052 0.000 0.836 1115 Q N 1.533 121.323 119.800 -0.018 0.000 2.289 1115 Q HA 0.257 4.597 4.340 0.000 0.000 0.273 1115 Q C 1.485 177.478 176.000 -0.011 0.000 1.029 1115 Q CA 1.431 57.227 55.803 -0.010 0.000 0.896 1115 Q CB 0.260 28.991 28.738 -0.012 0.000 1.182 1115 Q HN 0.899 nan 8.270 nan 0.000 0.385 1116 G N 1.916 110.713 108.800 -0.005 0.000 2.238 1116 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 1116 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 1116 G C 0.351 175.249 174.900 -0.003 0.000 0.996 1116 G CA 0.240 45.337 45.100 -0.004 0.000 0.632 1116 G HN 0.752 nan 8.290 nan 0.000 0.503 1117 S N 0.053 115.751 115.700 -0.003 0.000 2.600 1117 S HA 0.664 5.134 4.470 0.000 0.000 0.265 1117 S C 0.205 174.809 174.600 0.007 0.000 1.325 1117 S CA 0.331 58.531 58.200 -0.000 0.000 1.002 1117 S CB 1.960 65.163 63.200 0.006 0.000 0.921 1117 S HN 0.832 nan 8.310 nan 0.000 0.554 1118 R N 0.319 120.822 120.500 0.005 0.000 2.670 1118 R HA 0.506 4.846 4.340 0.000 0.000 0.289 1118 R C -1.129 175.182 176.300 0.018 0.000 0.965 1118 R CA -0.445 55.660 56.100 0.008 0.000 0.899 1118 R CB 1.714 32.011 30.300 -0.004 0.000 1.173 1118 R HN 0.732 nan 8.270 nan 0.000 0.456 1119 S N 3.726 119.443 115.700 0.029 0.000 2.541 1119 S HA 0.407 4.878 4.470 0.000 0.000 0.283 1119 S C 0.095 174.712 174.600 0.028 0.000 1.196 1119 S CA -0.705 57.525 58.200 0.049 0.000 1.062 1119 S CB 1.029 64.273 63.200 0.073 0.000 1.009 1119 S HN 0.423 nan 8.310 nan 0.000 0.502 1120 L N 2.288 123.530 121.223 0.032 0.000 2.475 1120 L HA 0.416 4.757 4.340 0.000 0.000 0.253 1120 L C 0.902 177.798 176.870 0.043 0.000 1.198 1120 L CA -0.428 54.412 54.840 0.001 0.000 0.814 1120 L CB 0.410 42.470 42.059 0.001 0.000 1.134 1120 L HN 0.669 nan 8.230 nan 0.000 0.478 1121 T N -1.683 112.904 114.554 0.054 0.000 2.908 1121 T HA 0.548 4.898 4.350 0.000 0.000 0.290 1121 T C -2.725 172.083 174.700 0.180 0.000 1.034 1121 T CA -2.345 59.840 62.100 0.141 0.000 1.010 1121 T CB 1.802 70.797 68.868 0.211 0.000 1.068 1121 T HN 0.187 nan 8.240 nan 0.000 0.481 1122 P HA 0.203 nan 4.420 nan 0.000 0.269 1122 P C 0.161 177.506 177.300 0.075 0.000 1.209 1122 P CA -0.669 62.471 63.100 0.067 0.000 0.776 1122 P CB 0.230 31.941 31.700 0.017 0.000 0.876 1123 C N 2.926 122.258 119.300 0.054 0.000 2.676 1123 C HA 0.289 4.749 4.460 0.000 0.000 0.416 1123 C C 1.228 176.189 174.990 -0.049 0.000 1.299 1123 C CA 1.012 60.033 59.018 0.006 0.000 2.048 1123 C CB -1.114 26.637 27.740 0.018 0.000 2.713 1123 C HN 0.782 nan 8.230 nan 0.000 0.624 1124 T N 0.407 114.902 114.554 -0.099 0.000 3.714 1124 T HA 0.128 4.478 4.350 0.000 0.000 0.309 1124 T C 0.412 175.069 174.700 -0.072 0.000 0.958 1124 T CA 0.212 62.265 62.100 -0.077 0.000 1.010 1124 T CB -1.055 67.762 68.868 -0.085 0.000 1.202 1124 T HN 0.957 nan 8.240 nan 0.000 0.476 1125 C N -0.873 118.390 119.300 -0.061 0.000 2.791 1125 C HA 0.744 5.204 4.460 0.000 0.000 0.288 1125 C C 2.360 177.338 174.990 -0.021 0.000 1.271 1125 C CA 0.260 59.254 59.018 -0.040 0.000 1.726 1125 C CB -0.883 26.838 27.740 -0.031 0.000 2.145 1125 C HN 1.053 nan 8.230 nan 0.000 0.572 1126 G N 1.411 110.201 108.800 -0.017 0.000 2.162 1126 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 1126 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 1126 G C 0.262 175.159 174.900 -0.005 0.000 0.976 1126 G CA 0.681 45.776 45.100 -0.009 0.000 0.655 1126 G HN 1.023 nan 8.290 nan 0.000 0.533 1127 S N -0.109 115.588 115.700 -0.004 0.000 2.569 1127 S HA 0.469 4.939 4.470 0.000 0.000 0.274 1127 S C 1.608 176.198 174.600 -0.016 0.000 1.353 1127 S CA 1.052 59.250 58.200 -0.003 0.000 1.023 1127 S CB 0.681 63.888 63.200 0.011 0.000 0.876 1127 S HN 1.463 nan 8.310 nan 0.000 0.540 1128 S N 1.066 116.752 115.700 -0.024 0.000 2.603 1128 S HA 0.263 4.733 4.470 0.000 0.000 0.232 1128 S C -0.671 173.881 174.600 -0.082 0.000 1.016 1128 S CA -0.601 57.577 58.200 -0.036 0.000 0.976 1128 S CB 0.080 63.272 63.200 -0.014 0.000 0.921 1128 S HN 0.659 nan 8.310 nan 0.000 0.516 1129 D N 2.869 123.212 120.400 -0.096 0.000 2.422 1129 D HA 0.396 5.036 4.640 0.000 0.000 0.227 1129 D C -0.246 175.832 176.300 -0.370 0.000 1.190 1129 D CA 0.084 53.965 54.000 -0.199 0.000 0.905 1129 D CB 0.830 41.576 40.800 -0.091 0.000 1.034 1129 D HN 0.381 nan 8.370 nan 0.000 0.507 1130 L N 1.689 122.614 121.223 -0.498 0.000 2.334 1130 L HA 0.496 4.836 4.340 0.000 0.000 0.270 1130 L C -0.647 175.718 176.870 -0.842 0.000 1.018 1130 L CA -1.076 53.469 54.840 -0.492 0.000 0.811 1130 L CB 1.056 42.916 42.059 -0.332 0.000 1.271 1130 L HN 0.230 nan 8.230 nan 0.000 0.443 1131 Y N 1.578 121.825 120.300 -0.088 0.000 2.331 1131 Y HA 0.395 4.945 4.550 0.000 0.000 0.326 1131 Y C -0.480 175.364 175.900 -0.093 0.000 1.020 1131 Y CA -0.710 57.344 58.100 -0.077 0.000 1.136 1131 Y CB 1.946 40.374 38.460 -0.054 0.000 1.157 1131 Y HN 0.287 nan 8.280 nan 0.000 0.444 1132 L N 4.504 125.719 121.223 -0.012 0.000 2.292 1132 L HA 0.726 5.066 4.340 0.000 0.000 0.284 1132 L C -1.120 175.720 176.870 -0.051 0.000 1.065 1132 L CA -0.535 54.261 54.840 -0.073 0.000 0.806 1132 L CB 1.130 43.087 42.059 -0.169 0.000 1.175 1132 L HN 0.396 nan 8.230 nan 0.000 0.431 1133 V N 4.740 124.629 119.914 -0.042 0.000 2.347 1133 V HA 0.420 4.541 4.120 0.000 0.000 0.280 1133 V C 0.608 176.677 176.094 -0.042 0.000 1.021 1133 V CA -0.157 62.130 62.300 -0.022 0.000 0.847 1133 V CB 1.084 32.904 31.823 -0.005 0.000 0.990 1133 V HN 0.990 nan 8.190 nan 0.000 0.444 1134 T N 2.171 116.709 114.554 -0.027 0.000 2.816 1134 T HA 0.255 4.605 4.350 0.000 0.000 0.282 1134 T C 1.124 175.804 174.700 -0.032 0.000 0.993 1134 T CA -0.451 61.626 62.100 -0.038 0.000 0.994 1134 T CB 1.013 69.918 68.868 0.061 0.000 1.025 1134 T HN 0.568 nan 8.240 nan 0.000 0.529 1135 R N -0.594 119.836 120.500 -0.117 0.000 2.237 1135 R HA -0.083 4.257 4.340 0.000 0.000 0.219 1135 R C 1.112 177.343 176.300 -0.115 0.000 1.080 1135 R CA 0.849 56.867 56.100 -0.136 0.000 0.995 1135 R CB -0.283 29.904 30.300 -0.189 0.000 0.875 1135 R HN 0.699 nan 8.270 nan 0.000 0.462 1136 H N -0.264 118.842 119.070 0.061 0.000 2.533 1136 H HA 0.228 4.784 4.556 0.000 0.000 0.271 1136 H C 0.717 176.074 175.328 0.048 0.000 1.000 1136 H CA 0.535 56.606 56.048 0.039 0.000 1.149 1136 H CB 0.633 30.398 29.762 0.004 0.000 1.375 1136 H HN 0.308 nan 8.280 nan 0.000 0.582 1137 A N 1.037 123.933 122.820 0.127 0.000 2.925 1137 A HA -0.191 4.130 4.320 0.000 0.000 0.265 1137 A C -0.538 177.110 177.584 0.107 0.000 1.419 1137 A CA 0.774 52.864 52.037 0.089 0.000 0.807 1137 A CB -1.852 17.202 19.000 0.091 0.000 1.043 1137 A HN 0.321 nan 8.150 nan 0.000 0.600 1138 D N -0.812 119.673 120.400 0.143 0.000 2.217 1138 D HA 0.564 5.204 4.640 0.000 0.000 0.248 1138 D C -0.032 176.323 176.300 0.091 0.000 1.008 1138 D CA -0.215 53.874 54.000 0.149 0.000 0.914 1138 D CB 1.753 42.720 40.800 0.278 0.000 1.182 1138 D HN 0.242 nan 8.370 nan 0.000 0.451 1139 V N 2.775 122.731 119.914 0.070 0.000 2.334 1139 V HA 0.330 4.450 4.120 0.000 0.000 0.281 1139 V C 0.215 176.346 176.094 0.060 0.000 1.016 1139 V CA -0.764 61.568 62.300 0.052 0.000 0.832 1139 V CB 0.776 32.619 31.823 0.033 0.000 0.999 1139 V HN 0.384 nan 8.190 nan 0.000 0.439 1140 I N 4.075 124.657 120.570 0.020 0.000 2.404 1140 I HA 0.684 4.854 4.170 0.000 0.000 0.293 1140 I C -2.505 173.620 176.117 0.013 0.000 0.992 1140 I CA -2.605 58.687 61.300 -0.014 0.000 1.149 1140 I CB 2.358 40.267 38.000 -0.153 0.000 1.315 1140 I HN 0.333 nan 8.210 nan 0.000 0.446 1141 P HA 0.163 nan 4.420 nan 0.000 0.271 1141 P C -0.713 176.491 177.300 -0.160 0.000 1.216 1141 P CA -0.065 62.991 63.100 -0.073 0.000 0.771 1141 P CB 1.730 33.440 31.700 0.017 0.000 0.864 1142 V N 3.878 123.632 119.914 -0.268 0.000 2.638 1142 V HA 0.400 4.520 4.120 0.000 0.000 0.306 1142 V C 0.247 176.227 176.094 -0.190 0.000 1.052 1142 V CA -0.823 61.370 62.300 -0.178 0.000 0.885 1142 V CB 2.105 33.844 31.823 -0.141 0.000 0.999 1142 V HN 0.460 nan 8.190 nan 0.000 0.424 1143 R N 3.506 123.943 120.500 -0.104 0.000 2.297 1143 R HA 0.428 4.768 4.340 0.000 0.000 0.308 1143 R C -0.143 176.144 176.300 -0.022 0.000 1.029 1143 R CA -0.377 55.677 56.100 -0.077 0.000 0.929 1143 R CB 0.590 30.861 30.300 -0.048 0.000 1.046 1143 R HN 0.739 nan 8.270 nan 0.000 0.461 1144 R N 3.424 123.916 120.500 -0.014 0.000 2.389 1144 R HA 0.199 4.539 4.340 0.000 0.000 0.295 1144 R C -0.421 175.911 176.300 0.053 0.000 1.075 1144 R CA -0.185 55.951 56.100 0.060 0.000 1.005 1144 R CB 0.589 30.924 30.300 0.059 0.000 0.987 1144 R HN 0.503 nan 8.270 nan 0.000 0.452 1145 R N 3.044 123.587 120.500 0.072 0.000 2.834 1145 R HA 0.290 4.630 4.340 0.000 0.000 0.362 1145 R C -0.262 176.049 176.300 0.018 0.000 1.147 1145 R CA 0.020 56.139 56.100 0.033 0.000 1.125 1145 R CB 1.055 31.368 30.300 0.021 0.000 1.361 1145 R HN 0.987 nan 8.270 nan 0.000 0.598 1146 G N 0.093 108.910 108.800 0.028 0.000 2.343 1146 G HA2 -0.168 3.792 3.960 0.000 0.000 0.465 1146 G HA3 -0.168 3.792 3.960 0.000 0.000 0.465 1146 G C -0.139 174.759 174.900 -0.004 0.000 1.282 1146 G CA -0.616 44.481 45.100 -0.005 0.000 0.996 1146 G HN 0.031 nan 8.290 nan 0.000 0.521 1147 D N -0.200 120.165 120.400 -0.057 0.000 2.117 1147 D HA -0.064 4.576 4.640 0.000 0.000 0.197 1147 D C 2.314 178.468 176.300 -0.244 0.000 0.987 1147 D CA 2.349 56.308 54.000 -0.069 0.000 0.829 1147 D CB -0.014 40.735 40.800 -0.086 0.000 0.961 1147 D HN 0.859 nan 8.370 nan 0.000 0.460 1148 S N -1.246 114.165 115.700 -0.483 0.000 2.952 1148 S HA 0.365 4.835 4.470 0.000 0.000 0.251 1148 S C 0.168 174.152 174.600 -1.026 0.000 1.021 1148 S CA -0.737 56.822 58.200 -1.069 0.000 1.067 1148 S CB 1.026 63.878 63.200 -0.580 0.000 1.002 1148 S HN -0.044 nan 8.310 nan 0.000 0.574 1149 R N 0.156 120.335 120.500 -0.535 0.000 2.725 1149 R HA 0.777 5.117 4.340 0.000 0.000 0.277 1149 R C -0.697 175.720 176.300 0.195 0.000 0.987 1149 R CA 0.123 56.150 56.100 -0.123 0.000 0.901 1149 R CB 1.772 32.022 30.300 -0.084 0.000 1.207 1149 R HN 0.329 nan 8.270 nan 0.000 0.463 1150 G N 0.758 109.695 108.800 0.228 0.000 2.733 1150 G HA2 0.421 4.382 3.960 0.000 0.000 0.297 1150 G HA3 0.421 4.382 3.960 0.000 0.000 0.297 1150 G C -1.543 173.414 174.900 0.096 0.000 1.422 1150 G CA -0.623 44.587 45.100 0.182 0.000 0.942 1150 G HN 0.646 nan 8.290 nan 0.000 0.510 1151 S N 1.383 117.109 115.700 0.043 0.000 2.489 1151 S HA 0.642 5.113 4.470 0.000 0.000 0.291 1151 S C 0.202 174.799 174.600 -0.006 0.000 1.151 1151 S CA -0.807 57.405 58.200 0.020 0.000 1.082 1151 S CB 1.367 64.572 63.200 0.009 0.000 1.019 1151 S HN 0.586 nan 8.310 nan 0.000 0.492 1152 L N 3.407 124.624 121.223 -0.010 0.000 2.455 1152 L HA 0.121 4.461 4.340 0.000 0.000 0.272 1152 L C 1.265 178.115 176.870 -0.033 0.000 1.174 1152 L CA -0.358 54.459 54.840 -0.038 0.000 0.869 1152 L CB 0.142 42.173 42.059 -0.046 0.000 1.130 1152 L HN 0.777 nan 8.230 nan 0.000 0.474 1153 L N 1.633 122.831 121.223 -0.042 0.000 2.313 1153 L HA -0.003 4.337 4.340 0.000 0.000 0.214 1153 L C 0.464 177.323 176.870 -0.019 0.000 1.119 1153 L CA 0.787 55.610 54.840 -0.027 0.000 0.809 1153 L CB -0.098 41.945 42.059 -0.027 0.000 0.933 1153 L HN 0.583 nan 8.230 nan 0.000 0.449 1154 S N 0.534 116.217 115.700 -0.028 0.000 2.524 1154 S HA 0.319 4.789 4.470 0.000 0.000 0.227 1154 S C -2.426 172.153 174.600 -0.036 0.000 1.304 1154 S CA -0.972 57.216 58.200 -0.021 0.000 1.185 1154 S CB 1.376 64.568 63.200 -0.014 0.000 1.104 1154 S HN -0.049 nan 8.310 nan 0.000 0.475 1155 P HA 0.248 nan 4.420 nan 0.000 0.264 1155 P C -0.335 176.955 177.300 -0.018 0.000 1.193 1155 P CA -0.276 62.811 63.100 -0.021 0.000 0.763 1155 P CB 0.610 32.309 31.700 -0.001 0.000 0.810 1156 R N 3.757 124.234 120.500 -0.038 0.000 2.828 1156 R HA 0.591 4.931 4.340 0.000 0.000 0.264 1156 R C -2.215 174.121 176.300 0.060 0.000 1.022 1156 R CA -2.284 53.813 56.100 -0.006 0.000 1.021 1156 R CB -0.167 30.021 30.300 -0.186 0.000 1.163 1156 R HN 0.286 nan 8.270 nan 0.000 0.494 1157 P HA 0.018 nan 4.420 nan 0.000 0.267 1157 P C 0.358 177.746 177.300 0.147 0.000 1.200 1157 P CA -0.047 63.129 63.100 0.127 0.000 0.772 1157 P CB 0.464 32.247 31.700 0.139 0.000 0.855 1158 I N 2.217 122.858 120.570 0.119 0.000 2.830 1158 I HA -0.185 3.985 4.170 0.000 0.000 0.263 1158 I C 1.776 177.987 176.117 0.158 0.000 1.230 1158 I CA 1.545 62.921 61.300 0.127 0.000 1.480 1158 I CB -0.555 37.504 38.000 0.099 0.000 1.095 1158 I HN 0.305 nan 8.210 nan 0.000 0.455 1159 S N -1.359 114.437 115.700 0.161 0.000 2.470 1159 S HA -0.171 4.299 4.470 0.000 0.000 0.225 1159 S C 2.215 176.957 174.600 0.238 0.000 1.006 1159 S CA 0.347 58.647 58.200 0.166 0.000 0.934 1159 S CB -1.022 62.250 63.200 0.121 0.000 0.778 1159 S HN 0.577 nan 8.310 nan 0.000 0.517 1160 Y N 1.817 122.182 120.300 0.109 0.000 2.193 1160 Y HA -0.065 4.485 4.550 0.000 0.000 0.285 1160 Y C 1.912 177.880 175.900 0.113 0.000 1.166 1160 Y CA 1.512 59.691 58.100 0.132 0.000 1.181 1160 Y CB -0.078 38.431 38.460 0.082 0.000 0.976 1160 Y HN 0.259 nan 8.280 nan 0.000 0.520 1161 L N 0.222 121.631 121.223 0.310 0.000 2.477 1161 L HA 0.048 4.389 4.340 0.000 0.000 0.220 1161 L C 1.308 178.295 176.870 0.195 0.000 1.106 1161 L CA 0.150 55.087 54.840 0.162 0.000 0.851 1161 L CB -0.650 41.470 42.059 0.101 0.000 0.994 1161 L HN -0.011 nan 8.230 nan 0.000 0.462 1162 K N 0.907 121.428 120.400 0.202 0.000 2.550 1162 K HA 0.287 4.607 4.320 0.000 0.000 0.280 1162 K C 1.249 177.935 176.600 0.143 0.000 0.987 1162 K CA 0.585 56.983 56.287 0.185 0.000 1.048 1162 K CB -0.734 31.861 32.500 0.158 0.000 0.879 1162 K HN 0.487 nan 8.250 nan 0.000 0.491 1163 G N 0.577 109.490 108.800 0.189 0.000 2.176 1163 G HA2 -0.231 3.729 3.960 0.000 0.000 0.253 1163 G HA3 -0.231 3.729 3.960 0.000 0.000 0.253 1163 G C 1.145 176.162 174.900 0.196 0.000 0.979 1163 G CA 0.795 46.001 45.100 0.176 0.000 0.641 1163 G HN 1.192 nan 8.290 nan 0.000 0.530 1164 S N 0.356 116.212 115.700 0.259 0.000 2.556 1164 S HA 0.347 4.817 4.470 0.000 0.000 0.216 1164 S C 1.242 176.169 174.600 0.545 0.000 0.970 1164 S CA 0.514 58.880 58.200 0.277 0.000 0.912 1164 S CB 0.370 63.603 63.200 0.055 0.000 0.790 1164 S HN 0.604 nan 8.310 nan 0.000 0.504 1165 S N 1.291 117.302 115.700 0.517 0.000 2.563 1165 S HA 0.362 4.832 4.470 0.000 0.000 0.294 1165 S C 1.467 176.251 174.600 0.307 0.000 1.279 1165 S CA 0.670 59.066 58.200 0.325 0.000 1.069 1165 S CB 0.438 63.703 63.200 0.109 0.000 0.828 1165 S HN 0.706 nan 8.310 nan 0.000 0.497 1166 G N 2.238 111.195 108.800 0.261 0.000 2.195 1166 G HA2 -0.178 3.783 3.960 0.000 0.000 0.246 1166 G HA3 -0.178 3.783 3.960 0.000 0.000 0.246 1166 G C 0.378 175.423 174.900 0.242 0.000 0.984 1166 G CA -0.184 45.069 45.100 0.256 0.000 0.633 1166 G HN 1.134 nan 8.290 nan 0.000 0.525 1167 G N 0.827 109.782 108.800 0.257 0.000 2.539 1167 G HA2 0.616 4.576 3.960 0.000 0.000 0.258 1167 G HA3 0.616 4.576 3.960 0.000 0.000 0.258 1167 G C -1.944 173.042 174.900 0.144 0.000 1.202 1167 G CA -0.420 44.783 45.100 0.171 0.000 0.851 1167 G HN 0.295 nan 8.290 nan 0.000 0.556 1168 P HA 0.304 nan 4.420 nan 0.000 0.282 1168 P C -0.914 176.389 177.300 0.005 0.000 1.249 1168 P CA -0.507 62.619 63.100 0.045 0.000 0.806 1168 P CB 1.646 33.364 31.700 0.029 0.000 0.984 1169 L N 3.216 124.411 121.223 -0.047 0.000 2.272 1169 L HA 0.402 4.742 4.340 0.000 0.000 0.289 1169 L C 0.305 177.124 176.870 -0.084 0.000 1.032 1169 L CA -0.210 54.560 54.840 -0.116 0.000 0.810 1169 L CB 0.822 42.698 42.059 -0.305 0.000 1.205 1169 L HN 0.204 nan 8.230 nan 0.000 0.422 1170 L N 2.651 123.868 121.223 -0.010 0.000 2.331 1170 L HA 0.615 4.955 4.340 0.000 0.000 0.275 1170 L C 0.350 177.282 176.870 0.104 0.000 1.022 1170 L CA -0.905 53.962 54.840 0.046 0.000 0.812 1170 L CB 1.664 43.763 42.059 0.066 0.000 1.257 1170 L HN 0.743 nan 8.230 nan 0.000 0.435 1171 C N 0.443 119.803 119.300 0.100 0.000 2.560 1171 C HA 0.369 4.829 4.460 0.000 0.000 0.334 1171 C C -1.069 174.063 174.990 0.235 0.000 1.404 1171 C CA -1.082 58.016 59.018 0.133 0.000 2.410 1171 C CB 0.498 28.287 27.740 0.081 0.000 2.268 1171 C HN 0.678 nan 8.230 nan 0.000 0.673 1172 P HA -0.019 nan 4.420 nan 0.000 0.219 1172 P C 1.280 178.631 177.300 0.085 0.000 1.146 1172 P CA 2.621 65.834 63.100 0.189 0.000 0.808 1172 P CB -0.164 31.640 31.700 0.174 0.000 0.779 1173 A N -1.314 121.587 122.820 0.135 0.000 2.251 1173 A HA 0.447 4.767 4.320 0.000 0.000 0.209 1173 A C 1.636 179.324 177.584 0.172 0.000 1.187 1173 A CA 0.783 52.925 52.037 0.176 0.000 0.823 1173 A CB -1.038 18.105 19.000 0.238 0.000 0.846 1173 A HN 0.241 nan 8.150 nan 0.000 0.486 1174 G N -1.232 107.625 108.800 0.095 0.000 2.141 1174 G HA2 -0.185 3.775 3.960 0.000 0.000 0.231 1174 G HA3 -0.185 3.775 3.960 0.000 0.000 0.231 1174 G C 0.015 174.814 174.900 -0.169 0.000 0.984 1174 G CA 0.208 45.276 45.100 -0.054 0.000 0.660 1174 G HN 0.701 nan 8.290 nan 0.000 0.525 1175 H N -0.047 119.028 119.070 0.008 0.000 2.508 1175 H HA 0.647 5.203 4.556 0.000 0.000 0.344 1175 H C 0.588 175.912 175.328 -0.006 0.000 1.192 1175 H CA -0.019 56.031 56.048 0.003 0.000 1.290 1175 H CB 1.739 31.503 29.762 0.002 0.000 1.571 1175 H HN 0.450 nan 8.280 nan 0.000 0.555 1176 A N 1.682 124.558 122.820 0.093 0.000 2.354 1176 A HA 0.282 4.602 4.320 0.000 0.000 0.281 1176 A C 0.923 178.507 177.584 -0.001 0.000 1.174 1176 A CA -0.473 51.578 52.037 0.023 0.000 0.828 1176 A CB 0.174 19.180 19.000 0.011 0.000 1.099 1176 A HN 0.517 nan 8.150 nan 0.000 0.516 1177 V N 2.638 122.520 119.914 -0.053 0.000 2.685 1177 V HA 0.368 4.488 4.120 0.000 0.000 0.244 1177 V C 1.368 177.401 176.094 -0.103 0.000 1.054 1177 V CA 1.575 63.819 62.300 -0.093 0.000 1.076 1177 V CB -0.328 31.387 31.823 -0.180 0.000 0.725 1177 V HN 1.181 nan 8.190 nan 0.000 0.467 1178 G N -0.904 107.813 108.800 -0.139 0.000 2.488 1178 G HA2 0.545 4.505 3.960 0.000 0.000 0.301 1178 G HA3 0.545 4.505 3.960 0.000 0.000 0.301 1178 G C -1.978 172.928 174.900 0.010 0.000 1.339 1178 G CA -0.793 44.293 45.100 -0.024 0.000 0.803 1178 G HN 0.051 nan 8.290 nan 0.000 0.482 1179 L N 0.487 121.782 121.223 0.120 0.000 2.329 1179 L HA 0.515 4.855 4.340 0.000 0.000 0.279 1179 L C -0.222 176.811 176.870 0.272 0.000 1.014 1179 L CA -0.816 54.119 54.840 0.159 0.000 0.814 1179 L CB 2.203 44.339 42.059 0.127 0.000 1.257 1179 L HN 0.599 nan 8.230 nan 0.000 0.424 1180 F N 3.223 123.245 119.950 0.119 0.000 2.578 1180 F HA -0.006 4.521 4.527 0.000 0.000 0.381 1180 F C 1.163 177.058 175.800 0.158 0.000 1.069 1180 F CA 0.493 58.579 58.000 0.144 0.000 1.231 1180 F CB 0.621 39.682 39.000 0.102 0.000 1.086 1180 F HN 0.587 nan 8.300 nan 0.000 0.564 1181 K N 4.576 124.772 120.400 -0.340 0.000 2.273 1181 K HA 0.515 4.835 4.320 0.000 0.000 0.206 1181 K C -0.609 175.683 176.600 -0.513 0.000 1.072 1181 K CA 0.649 56.775 56.287 -0.269 0.000 0.953 1181 K CB 0.491 32.927 32.500 -0.106 0.000 1.043 1181 K HN 0.676 nan 8.250 nan 0.000 0.477 1182 A N 0.404 122.806 122.820 -0.697 0.000 2.594 1182 A HA 0.652 4.972 4.320 0.000 0.000 0.296 1182 A C -1.568 175.840 177.584 -0.294 0.000 1.061 1182 A CA -0.567 51.149 52.037 -0.536 0.000 0.689 1182 A CB 1.295 20.123 19.000 -0.287 0.000 1.280 1182 A HN 0.258 nan 8.150 nan 0.000 0.406 1183 A N 0.362 123.167 122.820 -0.025 0.000 2.322 1183 A HA 0.591 4.911 4.320 0.000 0.000 0.269 1183 A C -0.043 177.589 177.584 0.079 0.000 1.094 1183 A CA -0.267 51.890 52.037 0.199 0.000 0.807 1183 A CB 0.380 19.557 19.000 0.295 0.000 1.047 1183 A HN 1.498 nan 8.150 nan 0.000 0.487 1184 V N 2.663 122.628 119.914 0.085 0.000 2.222 1184 V HA 0.092 4.212 4.120 0.000 0.000 0.253 1184 V C 0.690 176.810 176.094 0.044 0.000 1.210 1184 V CA -0.522 61.803 62.300 0.043 0.000 1.079 1184 V CB -0.693 31.151 31.823 0.035 0.000 1.265 1184 V HN 0.967 nan 8.190 nan 0.000 0.494 1185 C N 4.476 123.801 119.300 0.040 0.000 2.700 1185 C HA 0.553 5.013 4.460 0.000 0.000 0.397 1185 C C 0.745 175.750 174.990 0.026 0.000 1.301 1185 C CA 0.444 59.485 59.018 0.039 0.000 2.219 1185 C CB 0.167 27.931 27.740 0.039 0.000 2.699 1185 C HN 0.850 nan 8.230 nan 0.000 0.669 1186 T N 5.813 120.382 114.554 0.026 0.000 3.634 1186 T HA 0.381 4.731 4.350 0.000 0.000 0.319 1186 T C -0.152 174.560 174.700 0.021 0.000 0.773 1186 T CA -0.525 61.586 62.100 0.019 0.000 1.085 1186 T CB 0.239 69.117 68.868 0.016 0.000 1.025 1186 T HN 0.829 nan 8.240 nan 0.000 0.483 1187 R N 0.827 121.339 120.500 0.020 0.000 3.919 1187 R HA -0.195 4.145 4.340 0.000 0.000 0.412 1187 R C 1.135 177.452 176.300 0.027 0.000 1.102 1187 R CA 1.427 57.539 56.100 0.021 0.000 1.082 1187 R CB -2.068 28.244 30.300 0.019 0.000 1.671 1187 R HN 1.549 nan 8.270 nan 0.000 0.540 1188 G N -1.360 107.459 108.800 0.032 0.000 2.179 1188 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 1188 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 1188 G C -0.095 174.836 174.900 0.050 0.000 0.990 1188 G CA 0.020 45.145 45.100 0.042 0.000 0.646 1188 G HN 0.250 nan 8.290 nan 0.000 0.517 1189 V N 1.743 121.683 119.914 0.043 0.000 2.313 1189 V HA 0.732 4.852 4.120 0.000 0.000 0.278 1189 V C 0.794 176.913 176.094 0.041 0.000 1.017 1189 V CA -0.371 61.956 62.300 0.045 0.000 0.823 1189 V CB 1.156 33.000 31.823 0.036 0.000 1.010 1189 V HN 1.118 nan 8.190 nan 0.000 0.443 1190 A N 4.235 127.085 122.820 0.049 0.000 2.484 1190 A HA 0.527 4.847 4.320 0.000 0.000 0.268 1190 A C 1.157 178.759 177.584 0.029 0.000 1.114 1190 A CA 0.581 52.648 52.037 0.051 0.000 0.780 1190 A CB 0.152 19.194 19.000 0.071 0.000 1.061 1190 A HN 1.063 nan 8.150 nan 0.000 0.505 1191 K N 1.186 121.604 120.400 0.030 0.000 2.354 1191 K HA 0.662 4.983 4.320 0.000 0.000 0.194 1191 K C 0.690 177.304 176.600 0.023 0.000 1.045 1191 K CA 1.531 57.829 56.287 0.019 0.000 1.026 1191 K CB 0.015 32.525 32.500 0.016 0.000 0.866 1191 K HN 2.016 nan 8.250 nan 0.000 0.530 1192 A N -0.712 122.134 122.820 0.044 0.000 2.568 1192 A HA 0.765 5.085 4.320 0.000 0.000 0.291 1192 A C -1.301 176.354 177.584 0.118 0.000 1.159 1192 A CA 0.090 52.165 52.037 0.063 0.000 0.679 1192 A CB 1.080 20.109 19.000 0.049 0.000 1.285 1192 A HN 1.113 nan 8.150 nan 0.000 0.428 1193 V N -1.544 118.470 119.914 0.166 0.000 2.808 1193 V HA 0.694 4.814 4.120 0.000 0.000 0.308 1193 V C -1.754 174.467 176.094 0.212 0.000 1.099 1193 V CA -0.903 61.562 62.300 0.275 0.000 0.920 1193 V CB 1.983 34.103 31.823 0.495 0.000 1.014 1193 V HN 0.683 nan 8.190 nan 0.000 0.425 1194 D N 4.611 125.066 120.400 0.090 0.000 2.249 1194 D HA 0.602 5.242 4.640 0.000 0.000 0.246 1194 D C -0.382 175.944 176.300 0.044 0.000 1.114 1194 D CA 0.396 54.377 54.000 -0.033 0.000 0.854 1194 D CB 1.547 42.278 40.800 -0.115 0.000 1.132 1194 D HN 0.674 nan 8.370 nan 0.000 0.461 1195 F N -0.284 119.669 119.950 0.005 0.000 2.618 1195 F HA 0.651 5.178 4.527 0.000 0.000 0.332 1195 F C -0.555 175.234 175.800 -0.018 0.000 1.061 1195 F CA -1.391 56.619 58.000 0.016 0.000 0.974 1195 F CB 0.821 39.862 39.000 0.069 0.000 1.310 1195 F HN 0.047 nan 8.300 nan 0.000 0.491 1196 I N 2.619 123.338 120.570 0.248 0.000 2.307 1196 I HA 0.354 4.524 4.170 0.000 0.000 0.289 1196 I C -2.466 173.779 176.117 0.213 0.000 1.021 1196 I CA -2.151 59.206 61.300 0.094 0.000 1.224 1196 I CB 1.258 39.276 38.000 0.029 0.000 1.376 1196 I HN 0.298 nan 8.210 nan 0.000 0.470 1197 P HA 0.025 nan 4.420 nan 0.000 0.269 1197 P C 1.071 178.375 177.300 0.008 0.000 1.209 1197 P CA -0.226 62.987 63.100 0.188 0.000 0.776 1197 P CB 0.850 32.613 31.700 0.105 0.000 0.876 1198 V N 1.697 121.598 119.914 -0.022 0.000 2.688 1198 V HA -0.239 3.881 4.120 0.000 0.000 0.256 1198 V C 1.928 177.931 176.094 -0.152 0.000 1.084 1198 V CA 1.921 64.146 62.300 -0.125 0.000 1.103 1198 V CB -1.173 30.596 31.823 -0.089 0.000 0.688 1198 V HN 0.563 nan 8.190 nan 0.000 0.480 1199 E N 0.395 120.541 120.200 -0.090 0.000 2.106 1199 E HA -0.139 4.211 4.350 0.000 0.000 0.192 1199 E C 2.023 178.550 176.600 -0.122 0.000 0.984 1199 E CA 0.980 57.326 56.400 -0.090 0.000 0.806 1199 E CB -0.402 29.267 29.700 -0.052 0.000 0.750 1199 E HN 0.580 nan 8.360 nan 0.000 0.458 1200 N N -0.115 118.509 118.700 -0.128 0.000 2.348 1200 N HA -0.139 4.601 4.740 0.000 0.000 0.185 1200 N C 1.186 176.557 175.510 -0.231 0.000 1.019 1200 N CA 0.650 53.614 53.050 -0.144 0.000 0.880 1200 N CB -0.091 38.322 38.487 -0.124 0.000 0.965 1200 N HN 0.093 nan 8.380 nan 0.000 0.437 1201 L N 1.029 122.032 121.223 -0.367 0.000 2.068 1201 L HA -0.028 4.312 4.340 0.000 0.000 0.204 1201 L C 2.717 179.364 176.870 -0.371 0.000 1.076 1201 L CA 1.889 56.334 54.840 -0.659 0.000 0.753 1201 L CB -1.291 40.162 42.059 -1.010 0.000 0.910 1201 L HN 0.302 nan 8.230 nan 0.000 0.439 1202 E N -0.959 119.103 120.200 -0.231 0.000 2.118 1202 E HA -0.230 4.120 4.350 0.000 0.000 0.195 1202 E C 2.195 178.743 176.600 -0.086 0.000 0.992 1202 E CA 1.962 58.291 56.400 -0.118 0.000 0.804 1202 E CB -1.453 28.199 29.700 -0.080 0.000 0.741 1202 E HN 0.535 nan 8.360 nan 0.000 0.458 1203 T N 0.257 114.755 114.554 -0.092 0.000 2.708 1203 T HA -0.135 4.215 4.350 0.000 0.000 0.266 1203 T C 2.307 176.985 174.700 -0.036 0.000 1.037 1203 T CA 1.809 63.876 62.100 -0.057 0.000 1.146 1203 T CB -0.526 68.306 68.868 -0.060 0.000 0.865 1203 T HN 0.546 nan 8.240 nan 0.000 0.435 1204 T N 2.175 116.699 114.554 -0.050 0.000 2.803 1204 T HA -0.000 4.350 4.350 0.000 0.000 0.269 1204 T C 1.997 176.726 174.700 0.048 0.000 1.052 1204 T CA 1.026 63.138 62.100 0.019 0.000 1.136 1204 T CB -0.291 68.615 68.868 0.064 0.000 0.864 1204 T HN 0.324 nan 8.240 nan 0.000 0.467 1205 M N 0.236 119.803 119.600 -0.055 0.000 2.254 1205 M HA 0.009 4.489 4.480 0.000 0.000 0.265 1205 M C 2.455 178.810 176.300 0.091 0.000 1.066 1205 M CA 1.342 56.583 55.300 -0.100 0.000 1.123 1205 M CB -0.243 32.230 32.600 -0.213 0.000 1.388 1205 M HN 0.115 nan 8.290 nan 0.000 0.425 1206 R N -0.660 119.868 120.500 0.046 0.000 2.119 1206 R HA 0.069 4.409 4.340 0.000 0.000 0.222 1206 R C 0.821 177.159 176.300 0.062 0.000 1.088 1206 R CA 0.485 56.617 56.100 0.054 0.000 0.984 1206 R CB 0.080 30.395 30.300 0.024 0.000 0.884 1206 R HN 0.210 nan 8.270 nan 0.000 0.447 1207 S N 0.000 115.735 115.700 0.059 0.000 2.498 1207 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1207 S CA 0.000 58.231 58.200 0.052 0.000 1.107 1207 S CB 0.000 63.216 63.200 0.027 0.000 0.593 1207 S HN 0.000 nan 8.310 nan 0.000 0.517