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 2p59_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 VGLFRAAVCT 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 0.000 177.537 177.584 -0.079 0.000 1.274 1027 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 1027 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 1028 P HA 0.585 nan 4.420 nan 0.000 0.278 1028 P C -0.598 176.630 177.300 -0.120 0.000 1.238 1028 P CA -0.174 62.855 63.100 -0.120 0.000 0.794 1028 P CB 0.341 31.985 31.700 -0.093 0.000 0.955 1029 I N 1.946 122.408 120.570 -0.179 0.000 2.618 1029 I HA 0.132 4.302 4.170 0.000 0.000 0.284 1029 I C 0.808 176.871 176.117 -0.090 0.000 1.146 1029 I CA 0.470 61.685 61.300 -0.143 0.000 1.425 1029 I CB 0.328 38.210 38.000 -0.197 0.000 1.383 1029 I HN 0.490 nan 8.210 nan 0.000 0.562 1030 T N 2.961 117.483 114.554 -0.054 0.000 2.912 1030 T HA 0.841 5.191 4.350 0.000 0.000 0.299 1030 T C -0.728 173.956 174.700 -0.026 0.000 1.052 1030 T CA -0.889 61.200 62.100 -0.018 0.000 0.996 1030 T CB 2.024 70.900 68.868 0.012 0.000 1.070 1030 T HN 0.704 nan 8.240 nan 0.000 0.465 1031 A N 2.157 124.973 122.820 -0.006 0.000 2.435 1031 A HA 0.894 5.214 4.320 0.000 0.000 0.304 1031 A C -1.409 176.201 177.584 0.043 0.000 1.064 1031 A CA -1.116 50.889 52.037 -0.053 0.000 0.727 1031 A CB 1.217 20.191 19.000 -0.043 0.000 1.284 1031 A HN 1.274 nan 8.150 nan 0.000 0.415 1032 Y N -0.919 119.392 120.300 0.019 0.000 2.545 1032 Y HA 0.855 5.405 4.550 0.000 0.000 0.348 1032 Y C -0.185 175.730 175.900 0.025 0.000 1.002 1032 Y CA -1.339 56.775 58.100 0.025 0.000 1.039 1032 Y CB 1.225 39.697 38.460 0.019 0.000 1.271 1032 Y HN 0.962 nan 8.280 nan 0.000 0.467 1033 A N 2.399 125.391 122.820 0.286 0.000 2.325 1033 A HA 0.757 5.077 4.320 0.000 0.000 0.333 1033 A C -1.050 176.669 177.584 0.224 0.000 1.155 1033 A CA -0.875 51.275 52.037 0.188 0.000 0.814 1033 A CB 1.186 20.264 19.000 0.128 0.000 1.206 1033 A HN 0.834 nan 8.150 nan 0.000 0.482 1034 Q N 0.810 120.709 119.800 0.164 0.000 2.285 1034 Q HA 0.320 4.661 4.340 0.000 0.000 0.269 1034 Q C -0.979 175.062 176.000 0.067 0.000 1.030 1034 Q CA -0.394 55.480 55.803 0.118 0.000 0.788 1034 Q CB 2.452 31.273 28.738 0.139 0.000 1.266 1034 Q HN 0.849 nan 8.270 nan 0.000 0.438 1035 Q N 0.784 120.614 119.800 0.049 0.000 2.293 1035 Q HA 0.206 4.547 4.340 0.000 0.000 0.251 1035 Q C 0.230 176.241 176.000 0.017 0.000 0.930 1035 Q CA 0.400 56.221 55.803 0.029 0.000 0.893 1035 Q CB 0.814 29.569 28.738 0.029 0.000 1.215 1035 Q HN 0.824 nan 8.270 nan 0.000 0.425 1036 T N 0.450 115.006 114.554 0.004 0.000 2.975 1036 T HA 0.250 4.600 4.350 0.000 0.000 0.261 1036 T C 0.104 174.797 174.700 -0.012 0.000 0.984 1036 T CA -0.418 61.680 62.100 -0.004 0.000 0.911 1036 T CB 0.234 69.096 68.868 -0.011 0.000 1.127 1036 T HN 0.723 nan 8.240 nan 0.000 0.514 1037 R N -0.218 120.274 120.500 -0.014 0.000 2.690 1037 R HA 0.667 5.007 4.340 0.000 0.000 0.269 1037 R C -0.515 175.778 176.300 -0.011 0.000 1.037 1037 R CA -0.912 55.179 56.100 -0.015 0.000 0.877 1037 R CB 0.565 30.850 30.300 -0.025 0.000 1.255 1037 R HN 0.073 nan 8.270 nan 0.000 0.467 1038 G N 0.236 109.031 108.800 -0.009 0.000 2.537 1038 G HA2 0.409 4.370 3.960 0.000 0.000 0.297 1038 G HA3 0.409 4.370 3.960 0.000 0.000 0.297 1038 G C 1.075 175.970 174.900 -0.007 0.000 1.310 1038 G CA -0.928 44.169 45.100 -0.004 0.000 1.027 1038 G HN 0.605 nan 8.290 nan 0.000 0.505 1039 L N -1.414 119.808 121.223 -0.002 0.000 2.109 1039 L HA 0.148 4.488 4.340 0.000 0.000 0.207 1039 L C 2.438 179.304 176.870 -0.006 0.000 1.086 1039 L CA 0.460 55.298 54.840 -0.003 0.000 0.760 1039 L CB -0.718 41.344 42.059 0.004 0.000 0.910 1039 L HN 0.375 nan 8.230 nan 0.000 0.437 1040 L N 1.652 122.872 121.223 -0.005 0.000 2.201 1040 L HA 0.077 4.418 4.340 0.000 0.000 0.212 1040 L C 2.211 179.074 176.870 -0.011 0.000 1.105 1040 L CA 1.789 56.625 54.840 -0.006 0.000 0.775 1040 L CB -0.893 41.163 42.059 -0.004 0.000 0.913 1040 L HN 0.238 nan 8.230 nan 0.000 0.440 1041 G N -1.870 106.922 108.800 -0.014 0.000 2.459 1041 G HA2 -0.227 3.733 3.960 0.000 0.000 0.213 1041 G HA3 -0.227 3.733 3.960 0.000 0.000 0.213 1041 G C 1.765 176.649 174.900 -0.027 0.000 1.155 1041 G CA 0.578 45.667 45.100 -0.019 0.000 0.811 1041 G HN 0.526 nan 8.290 nan 0.000 0.534 1042 C N 0.657 119.941 119.300 -0.027 0.000 2.413 1042 C HA 0.009 4.469 4.460 0.000 0.000 0.276 1042 C C 2.791 177.761 174.990 -0.033 0.000 1.248 1042 C CA 0.962 59.959 59.018 -0.036 0.000 1.742 1042 C CB -1.045 26.675 27.740 -0.034 0.000 2.017 1042 C HN 0.437 nan 8.230 nan 0.000 0.481 1043 I N 0.757 121.314 120.570 -0.022 0.000 2.202 1043 I HA -0.159 4.011 4.170 0.000 0.000 0.242 1043 I C 2.496 178.601 176.117 -0.020 0.000 1.091 1043 I CA 1.899 63.189 61.300 -0.017 0.000 1.368 1043 I CB -0.476 37.519 38.000 -0.009 0.000 1.058 1043 I HN 0.318 nan 8.210 nan 0.000 0.410 1044 I N 0.386 120.944 120.570 -0.020 0.000 2.286 1044 I HA -0.263 3.907 4.170 0.000 0.000 0.248 1044 I C 2.360 178.461 176.117 -0.027 0.000 1.115 1044 I CA 1.502 62.789 61.300 -0.020 0.000 1.392 1044 I CB -0.550 37.439 38.000 -0.018 0.000 1.065 1044 I HN 0.253 nan 8.210 nan 0.000 0.418 1045 T N -0.843 113.690 114.554 -0.035 0.000 3.014 1045 T HA -0.097 4.253 4.350 0.000 0.000 0.263 1045 T C 2.065 176.734 174.700 -0.053 0.000 1.078 1045 T CA 1.243 63.315 62.100 -0.046 0.000 1.135 1045 T CB -0.001 68.833 68.868 -0.055 0.000 0.895 1045 T HN 0.280 nan 8.240 nan 0.000 0.480 1046 S N 1.111 116.783 115.700 -0.047 0.000 2.353 1046 S HA -0.059 4.411 4.470 0.000 0.000 0.222 1046 S C 1.934 176.513 174.600 -0.035 0.000 1.035 1046 S CA 1.110 59.283 58.200 -0.045 0.000 1.025 1046 S CB -0.454 62.727 63.200 -0.032 0.000 0.902 1046 S HN 0.422 nan 8.310 nan 0.000 0.440 1047 L N 0.803 122.010 121.223 -0.026 0.000 2.007 1047 L HA -0.035 4.306 4.340 0.000 0.000 0.205 1047 L C 3.014 179.870 176.870 -0.023 0.000 1.073 1047 L CA 1.751 56.580 54.840 -0.020 0.000 0.744 1047 L CB -1.800 40.250 42.059 -0.014 0.000 0.898 1047 L HN 0.474 nan 8.230 nan 0.000 0.435 1048 T N -2.171 112.367 114.554 -0.026 0.000 2.897 1048 T HA -0.101 4.249 4.350 0.000 0.000 0.271 1048 T C 1.658 176.338 174.700 -0.034 0.000 1.084 1048 T CA 0.933 63.017 62.100 -0.027 0.000 1.123 1048 T CB -0.688 68.163 68.868 -0.028 0.000 0.865 1048 T HN 0.603 nan 8.240 nan 0.000 0.496 1049 G N 1.501 110.275 108.800 -0.044 0.000 2.205 1049 G HA2 -0.370 3.590 3.960 0.000 0.000 0.269 1049 G HA3 -0.370 3.590 3.960 0.000 0.000 0.269 1049 G C 0.178 175.039 174.900 -0.065 0.000 0.977 1049 G CA 0.528 45.593 45.100 -0.058 0.000 0.652 1049 G HN 0.898 nan 8.290 nan 0.000 0.539 1050 R N 0.465 120.932 120.500 -0.055 0.000 2.294 1050 R HA 0.528 4.868 4.340 0.000 0.000 0.319 1050 R C -1.580 174.685 176.300 -0.059 0.000 0.984 1050 R CA -0.617 55.450 56.100 -0.055 0.000 0.861 1050 R CB 0.828 31.104 30.300 -0.041 0.000 1.104 1050 R HN 0.095 nan 8.270 nan 0.000 0.451 1051 D N 3.065 123.424 120.400 -0.068 0.000 2.593 1051 D HA 0.218 4.858 4.640 0.000 0.000 0.251 1051 D C -0.353 175.912 176.300 -0.058 0.000 1.140 1051 D CA -0.489 53.470 54.000 -0.068 0.000 0.855 1051 D CB 1.540 42.285 40.800 -0.091 0.000 1.267 1051 D HN 0.388 nan 8.370 nan 0.000 0.532 1052 K N 2.178 122.550 120.400 -0.046 0.000 2.358 1052 K HA 0.172 4.492 4.320 0.000 0.000 0.200 1052 K C 0.054 176.634 176.600 -0.034 0.000 1.030 1052 K CA -0.374 55.891 56.287 -0.038 0.000 1.097 1052 K CB 0.109 32.591 32.500 -0.030 0.000 0.862 1052 K HN 0.344 nan 8.250 nan 0.000 0.534 1053 N N 2.353 121.030 118.700 -0.038 0.000 2.381 1053 N HA -0.033 4.707 4.740 0.000 0.000 0.241 1053 N C 0.400 175.892 175.510 -0.031 0.000 1.279 1053 N CA 0.325 53.356 53.050 -0.032 0.000 0.896 1053 N CB 0.253 38.719 38.487 -0.036 0.000 1.118 1053 N HN 0.212 nan 8.380 nan 0.000 0.438 1054 Q N 0.128 119.915 119.800 -0.022 0.000 2.293 1054 Q HA 0.499 4.839 4.340 0.000 0.000 0.251 1054 Q C -0.351 175.638 176.000 -0.018 0.000 0.930 1054 Q CA -0.671 55.121 55.803 -0.017 0.000 0.893 1054 Q CB 0.578 29.311 28.738 -0.009 0.000 1.215 1054 Q HN 0.476 nan 8.270 nan 0.000 0.425 1055 V N 2.312 122.215 119.914 -0.019 0.000 2.483 1055 V HA 0.589 4.709 4.120 0.000 0.000 0.295 1055 V C -0.206 175.883 176.094 -0.007 0.000 1.035 1055 V CA -0.532 61.756 62.300 -0.020 0.000 0.896 1055 V CB 1.496 33.300 31.823 -0.031 0.000 0.986 1055 V HN 1.036 nan 8.190 nan 0.000 0.447 1056 E N 1.779 121.977 120.200 -0.002 0.000 2.383 1056 E HA 0.698 5.048 4.350 0.000 0.000 0.275 1056 E C -0.098 176.499 176.600 -0.005 0.000 0.918 1056 E CA -0.254 56.149 56.400 0.005 0.000 0.764 1056 E CB 2.510 32.224 29.700 0.023 0.000 1.252 1056 E HN 1.103 nan 8.360 nan 0.000 0.449 1057 G N 1.274 110.067 108.800 -0.011 0.000 2.710 1057 G HA2 -0.209 3.751 3.960 0.000 0.000 0.668 1057 G HA3 -0.209 3.751 3.960 0.000 0.000 0.668 1057 G C -0.066 174.823 174.900 -0.017 0.000 1.320 1057 G CA -0.194 44.885 45.100 -0.034 0.000 0.860 1057 G HN 0.546 nan 8.290 nan 0.000 0.538 1058 E N -1.448 118.738 120.200 -0.023 0.000 2.251 1058 E HA 0.319 4.669 4.350 0.000 0.000 0.194 1058 E C 1.045 177.660 176.600 0.024 0.000 0.964 1058 E CA 0.915 57.319 56.400 0.008 0.000 0.868 1058 E CB 0.598 30.302 29.700 0.007 0.000 0.828 1058 E HN 0.528 nan 8.360 nan 0.000 0.481 1059 V N 2.740 122.656 119.914 0.003 0.000 2.378 1059 V HA 0.231 4.351 4.120 0.000 0.000 0.288 1059 V C -0.479 175.617 176.094 0.003 0.000 1.016 1059 V CA -0.884 61.428 62.300 0.020 0.000 0.840 1059 V CB 1.429 33.259 31.823 0.012 0.000 0.994 1059 V HN 0.062 nan 8.190 nan 0.000 0.431 1060 Q N 4.018 123.825 119.800 0.011 0.000 2.259 1060 Q HA 0.522 4.862 4.340 0.000 0.000 0.249 1060 Q C -0.370 175.605 176.000 -0.041 0.000 0.914 1060 Q CA -0.325 55.464 55.803 -0.023 0.000 0.904 1060 Q CB 2.224 30.939 28.738 -0.039 0.000 1.213 1060 Q HN 0.644 nan 8.270 nan 0.000 0.428 1061 I N 2.864 123.396 120.570 -0.063 0.000 2.287 1061 I HA 0.148 4.318 4.170 0.000 0.000 0.290 1061 I C 0.392 176.410 176.117 -0.166 0.000 1.069 1061 I CA -0.817 60.428 61.300 -0.092 0.000 1.237 1061 I CB 0.509 38.475 38.000 -0.057 0.000 1.418 1061 I HN 0.246 nan 8.210 nan 0.000 0.481 1062 V N 2.547 122.287 119.914 -0.291 0.000 2.716 1062 V HA 0.700 4.820 4.120 0.000 0.000 0.304 1062 V C -0.094 175.697 176.094 -0.505 0.000 1.053 1062 V CA -0.208 61.845 62.300 -0.412 0.000 0.984 1062 V CB 1.832 33.339 31.823 -0.526 0.000 1.021 1062 V HN 0.647 nan 8.190 nan 0.000 0.467 1063 S N 1.522 117.013 115.700 -0.348 0.000 2.541 1063 S HA 0.818 5.288 4.470 0.000 0.000 0.280 1063 S C -0.222 174.302 174.600 -0.127 0.000 1.112 1063 S CA 0.067 58.140 58.200 -0.211 0.000 0.925 1063 S CB 1.922 65.057 63.200 -0.108 0.000 1.067 1063 S HN 1.489 nan 8.310 nan 0.000 0.479 1064 T N 0.429 114.979 114.554 -0.007 0.000 2.870 1064 T HA 0.757 5.107 4.350 0.000 0.000 0.277 1064 T C 1.435 176.157 174.700 0.036 0.000 1.000 1064 T CA -0.128 61.994 62.100 0.037 0.000 0.982 1064 T CB 0.759 69.698 68.868 0.119 0.000 1.249 1064 T HN 0.642 nan 8.240 nan 0.000 0.589 1065 A N 0.577 123.417 122.820 0.033 0.000 1.902 1065 A HA -0.002 4.318 4.320 0.000 0.000 0.217 1065 A C 2.485 180.094 177.584 0.042 0.000 1.181 1065 A CA 2.564 54.618 52.037 0.028 0.000 0.623 1065 A CB -1.763 17.250 19.000 0.022 0.000 0.818 1065 A HN 1.084 nan 8.150 nan 0.000 0.443 1066 T N -1.718 112.871 114.554 0.058 0.000 2.837 1066 T HA 0.110 4.461 4.350 0.000 0.000 0.248 1066 T C 0.971 175.723 174.700 0.087 0.000 1.033 1066 T CA 0.750 62.888 62.100 0.063 0.000 1.150 1066 T CB -0.398 68.504 68.868 0.058 0.000 0.865 1066 T HN 0.702 nan 8.240 nan 0.000 0.425 1067 Q N -0.014 119.865 119.800 0.132 0.000 2.416 1067 Q HA 0.700 5.040 4.340 0.000 0.000 0.279 1067 Q C -1.093 175.071 176.000 0.274 0.000 1.101 1067 Q CA -1.085 54.831 55.803 0.188 0.000 0.830 1067 Q CB 2.109 30.954 28.738 0.179 0.000 1.402 1067 Q HN 0.181 nan 8.270 nan 0.000 0.445 1068 T N 0.313 115.046 114.554 0.298 0.000 2.900 1068 T HA 0.772 5.122 4.350 0.000 0.000 0.295 1068 T C -1.333 173.590 174.700 0.372 0.000 1.044 1068 T CA -0.390 61.835 62.100 0.209 0.000 0.995 1068 T CB 0.891 69.795 68.868 0.061 0.000 1.072 1068 T HN 0.695 nan 8.240 nan 0.000 0.473 1069 F N 1.721 121.687 119.950 0.026 0.000 3.997 1069 F HA 0.746 5.273 4.527 0.000 0.000 0.333 1069 F C -2.237 173.586 175.800 0.038 0.000 1.122 1069 F CA -1.442 56.578 58.000 0.034 0.000 0.869 1069 F CB 0.844 39.860 39.000 0.028 0.000 1.747 1069 F HN 0.478 nan 8.300 nan 0.000 0.518 1070 L N 1.085 122.479 121.223 0.285 0.000 2.401 1070 L HA 0.873 5.213 4.340 0.000 0.000 0.266 1070 L C -0.905 176.107 176.870 0.236 0.000 0.991 1070 L CA -1.089 53.842 54.840 0.151 0.000 0.818 1070 L CB 2.047 44.202 42.059 0.160 0.000 1.321 1070 L HN 0.913 nan 8.230 nan 0.000 0.413 1071 A N 1.054 123.966 122.820 0.154 0.000 2.374 1071 A HA 0.907 5.227 4.320 0.000 0.000 0.317 1071 A C -0.751 176.948 177.584 0.191 0.000 1.094 1071 A CA -0.472 51.708 52.037 0.238 0.000 0.765 1071 A CB 1.747 20.910 19.000 0.270 0.000 1.268 1071 A HN 0.582 nan 8.150 nan 0.000 0.438 1072 T N 1.005 115.703 114.554 0.239 0.000 2.824 1072 T HA 0.419 4.769 4.350 0.000 0.000 0.282 1072 T C -0.547 174.299 174.700 0.244 0.000 0.993 1072 T CA -0.238 61.981 62.100 0.199 0.000 0.967 1072 T CB 0.795 69.772 68.868 0.183 0.000 0.960 1072 T HN 0.691 nan 8.240 nan 0.000 0.441 1073 C N 4.306 123.711 119.300 0.175 0.000 2.415 1073 C HA 0.614 5.074 4.460 0.000 0.000 0.369 1073 C C 0.297 175.407 174.990 0.201 0.000 1.279 1073 C CA -0.784 58.341 59.018 0.179 0.000 1.886 1073 C CB -1.662 26.141 27.740 0.105 0.000 2.468 1073 C HN 0.715 nan 8.230 nan 0.000 0.553 1074 I N 3.515 124.263 120.570 0.298 0.000 2.569 1074 I HA 0.299 4.470 4.170 0.000 0.000 0.290 1074 I C -0.371 175.896 176.117 0.249 0.000 1.088 1074 I CA -0.505 60.942 61.300 0.245 0.000 1.047 1074 I CB 1.543 39.687 38.000 0.241 0.000 1.237 1074 I HN 0.572 nan 8.210 nan 0.000 0.421 1075 N N 4.641 123.427 118.700 0.144 0.000 2.698 1075 N HA -0.218 4.522 4.740 0.000 0.000 0.258 1075 N C 0.954 176.541 175.510 0.129 0.000 0.978 1075 N CA 1.522 54.644 53.050 0.119 0.000 0.777 1075 N CB -0.808 37.752 38.487 0.122 0.000 0.907 1075 N HN 1.169 nan 8.380 nan 0.000 0.543 1076 G N -3.382 105.479 108.800 0.102 0.000 2.205 1076 G HA2 -0.321 3.639 3.960 0.000 0.000 0.261 1076 G HA3 -0.321 3.639 3.960 0.000 0.000 0.261 1076 G C 0.073 175.003 174.900 0.050 0.000 0.980 1076 G CA 0.417 45.559 45.100 0.070 0.000 0.632 1076 G HN 0.514 nan 8.290 nan 0.000 0.533 1077 V N 0.517 120.464 119.914 0.055 0.000 2.547 1077 V HA 0.564 4.684 4.120 0.000 0.000 0.299 1077 V C 0.761 176.773 176.094 -0.136 0.000 1.040 1077 V CA -0.384 61.831 62.300 -0.140 0.000 0.913 1077 V CB 1.765 33.324 31.823 -0.441 0.000 0.992 1077 V HN 0.569 nan 8.190 nan 0.000 0.449 1078 C N 6.495 125.732 119.300 -0.104 0.000 2.200 1078 C HA 0.525 4.985 4.460 0.000 0.000 0.328 1078 C C -0.267 174.762 174.990 0.064 0.000 1.148 1078 C CA -1.039 58.028 59.018 0.081 0.000 1.624 1078 C CB -1.495 26.364 27.740 0.198 0.000 2.167 1078 C HN 0.815 nan 8.230 nan 0.000 0.484 1079 W N 3.859 125.263 121.300 0.173 0.000 2.359 1079 W HA 0.638 5.298 4.660 0.000 0.000 0.344 1079 W C 0.758 177.361 176.519 0.141 0.000 1.170 1079 W CA 0.040 57.447 57.345 0.104 0.000 1.296 1079 W CB 1.212 30.718 29.460 0.076 0.000 1.197 1079 W HN 0.655 nan 8.180 nan 0.000 0.618 1080 T N -0.743 114.022 114.554 0.352 0.000 2.700 1080 T HA 0.314 4.664 4.350 0.000 0.000 0.307 1080 T C -1.306 173.493 174.700 0.166 0.000 1.580 1080 T CA -0.850 61.430 62.100 0.299 0.000 0.992 1080 T CB 0.165 69.297 68.868 0.440 0.000 1.577 1080 T HN 0.590 nan 8.240 nan 0.000 0.496 1081 V N 3.042 122.982 119.914 0.043 0.000 2.572 1081 V HA 0.352 4.473 4.120 0.000 0.000 0.291 1081 V C 1.165 177.155 176.094 -0.175 0.000 1.039 1081 V CA -0.033 62.183 62.300 -0.140 0.000 1.055 1081 V CB 0.162 31.670 31.823 -0.526 0.000 0.969 1081 V HN 0.924 nan 8.190 nan 0.000 0.482 1082 Y N 4.945 125.162 120.300 -0.138 0.000 2.293 1082 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 1082 Y C 2.342 178.171 175.900 -0.118 0.000 1.137 1082 Y CA 2.165 60.210 58.100 -0.092 0.000 1.202 1082 Y CB -0.286 38.157 38.460 -0.029 0.000 0.990 1082 Y HN 0.926 nan 8.280 nan 0.000 0.537 1083 H N -2.094 116.990 119.070 0.025 0.000 2.568 1083 H HA 0.157 4.713 4.556 0.000 0.000 0.275 1083 H C 1.352 176.516 175.328 -0.273 0.000 1.028 1083 H CA 0.863 56.864 56.048 -0.078 0.000 1.173 1083 H CB -0.168 29.559 29.762 -0.058 0.000 1.335 1083 H HN 0.497 nan 8.280 nan 0.000 0.614 1084 G N -0.237 108.168 108.800 -0.658 0.000 2.775 1084 G HA2 0.217 4.177 3.960 0.000 0.000 0.198 1084 G HA3 0.217 4.177 3.960 0.000 0.000 0.198 1084 G C 1.569 176.330 174.900 -0.231 0.000 1.121 1084 G CA 0.346 44.950 45.100 -0.826 0.000 0.686 1084 G HN 0.457 nan 8.290 nan 0.000 0.782 1085 A N 0.174 122.939 122.820 -0.093 0.000 2.030 1085 A HA 0.512 4.832 4.320 0.000 0.000 0.215 1085 A C 2.077 179.605 177.584 -0.093 0.000 1.164 1085 A CA 1.548 53.694 52.037 0.181 0.000 0.697 1085 A CB -0.733 18.453 19.000 0.309 0.000 0.827 1085 A HN 1.678 nan 8.150 nan 0.000 0.457 1086 G N -0.264 108.229 108.800 -0.513 0.000 2.651 1086 G HA2 -0.422 3.538 3.960 0.000 0.000 0.315 1086 G HA3 -0.422 3.538 3.960 0.000 0.000 0.315 1086 G C 1.046 175.683 174.900 -0.438 0.000 1.258 1086 G CA 2.133 46.720 45.100 -0.855 0.000 1.002 1086 G HN 1.346 nan 8.290 nan 0.000 0.551 1087 T N -0.533 113.939 114.554 -0.137 0.000 3.069 1087 T HA 0.387 4.737 4.350 0.000 0.000 0.252 1087 T C 1.064 175.817 174.700 0.088 0.000 1.053 1087 T CA 0.848 62.967 62.100 0.032 0.000 0.964 1087 T CB -0.051 68.865 68.868 0.080 0.000 1.005 1087 T HN 0.976 nan 8.240 nan 0.000 0.532 1088 R N 1.825 122.397 120.500 0.121 0.000 2.615 1088 R HA 0.473 4.813 4.340 0.000 0.000 0.270 1088 R C 0.107 176.585 176.300 0.296 0.000 1.081 1088 R CA -0.561 55.636 56.100 0.161 0.000 1.154 1088 R CB -0.410 29.956 30.300 0.111 0.000 1.063 1088 R HN 0.217 nan 8.270 nan 0.000 0.519 1089 T N -0.821 113.841 114.554 0.179 0.000 2.856 1089 T HA 0.230 4.580 4.350 0.000 0.000 0.306 1089 T C 0.538 175.193 174.700 -0.076 0.000 1.062 1089 T CA -0.775 61.411 62.100 0.143 0.000 1.083 1089 T CB 0.722 69.611 68.868 0.035 0.000 0.984 1089 T HN 0.575 nan 8.240 nan 0.000 0.542 1090 I N 1.717 122.023 120.570 -0.440 0.000 2.331 1090 I HA 0.527 4.697 4.170 0.000 0.000 0.292 1090 I C 0.671 176.552 176.117 -0.393 0.000 0.998 1090 I CA -0.946 59.909 61.300 -0.742 0.000 1.267 1090 I CB 0.651 37.736 38.000 -1.526 0.000 1.386 1090 I HN 1.002 nan 8.210 nan 0.000 0.476 1091 A N 5.600 128.244 122.820 -0.294 0.000 2.498 1091 A HA 0.454 4.774 4.320 0.000 0.000 0.239 1091 A C 0.020 177.489 177.584 -0.193 0.000 1.068 1091 A CA 0.504 52.427 52.037 -0.191 0.000 0.766 1091 A CB 0.208 19.117 19.000 -0.151 0.000 1.003 1091 A HN 0.823 nan 8.150 nan 0.000 0.497 1092 S N 1.602 117.219 115.700 -0.137 0.000 2.588 1092 S HA 0.638 5.108 4.470 0.000 0.000 0.269 1092 S C -2.684 171.868 174.600 -0.081 0.000 1.157 1092 S CA -0.785 57.344 58.200 -0.118 0.000 0.824 1092 S CB 1.243 64.369 63.200 -0.123 0.000 1.126 1092 S HN 0.206 nan 8.310 nan 0.000 0.464 1093 P HA -0.039 nan 4.420 nan 0.000 0.218 1093 P C 0.312 177.586 177.300 -0.043 0.000 1.146 1093 P CA 1.351 64.421 63.100 -0.050 0.000 0.813 1093 P CB 0.006 31.681 31.700 -0.042 0.000 0.778 1094 K N -0.853 119.520 120.400 -0.045 0.000 2.498 1094 K HA 0.399 4.719 4.320 0.000 0.000 0.207 1094 K C 0.768 177.344 176.600 -0.039 0.000 1.033 1094 K CA 0.186 56.450 56.287 -0.037 0.000 1.138 1094 K CB 0.326 32.806 32.500 -0.033 0.000 0.860 1094 K HN 0.137 nan 8.250 nan 0.000 0.490 1095 G N 2.774 111.546 108.800 -0.047 0.000 2.685 1095 G HA2 -0.186 3.774 3.960 0.000 0.000 0.387 1095 G HA3 -0.186 3.774 3.960 0.000 0.000 0.387 1095 G C -2.973 171.892 174.900 -0.057 0.000 1.324 1095 G CA -1.173 43.899 45.100 -0.046 0.000 0.878 1095 G HN -0.029 nan 8.290 nan 0.000 0.527 1096 P HA 0.456 nan 4.420 nan 0.000 0.269 1096 P C -0.321 176.950 177.300 -0.047 0.000 1.215 1096 P CA -0.078 62.986 63.100 -0.060 0.000 0.780 1096 P CB 1.208 32.886 31.700 -0.037 0.000 0.898 1097 V N 3.571 123.452 119.914 -0.056 0.000 2.577 1097 V HA 0.310 4.430 4.120 0.000 0.000 0.303 1097 V C 0.620 176.769 176.094 0.093 0.000 1.042 1097 V CA -0.782 61.511 62.300 -0.011 0.000 0.872 1097 V CB 1.669 33.462 31.823 -0.050 0.000 0.998 1097 V HN 0.400 nan 8.190 nan 0.000 0.423 1098 I N 3.472 124.100 120.570 0.098 0.000 2.696 1098 I HA 0.165 4.335 4.170 0.000 0.000 0.284 1098 I C 0.782 177.007 176.117 0.180 0.000 1.129 1098 I CA -0.220 61.156 61.300 0.127 0.000 1.410 1098 I CB 0.682 38.708 38.000 0.043 0.000 1.399 1098 I HN 0.648 nan 8.210 nan 0.000 0.579 1099 Q N 5.057 124.928 119.800 0.118 0.000 2.361 1099 Q HA 0.071 4.411 4.340 0.000 0.000 0.276 1099 Q C 0.593 176.458 176.000 -0.225 0.000 1.022 1099 Q CA 0.201 55.897 55.803 -0.179 0.000 0.898 1099 Q CB 0.997 29.521 28.738 -0.357 0.000 1.246 1099 Q HN 0.643 nan 8.270 nan 0.000 0.410 1100 M N 0.970 120.336 119.600 -0.391 0.000 2.160 1100 M HA -0.017 4.463 4.480 0.000 0.000 0.264 1100 M C -0.233 175.606 176.300 -0.768 0.000 1.073 1100 M CA 1.415 56.334 55.300 -0.635 0.000 1.142 1100 M CB 0.348 32.389 32.600 -0.932 0.000 1.358 1100 M HN 0.539 nan 8.290 nan 0.000 0.422 1101 Y N -0.533 119.631 120.300 -0.227 0.000 2.409 1101 Y HA 0.387 4.937 4.550 0.000 0.000 0.343 1101 Y C -0.487 175.358 175.900 -0.091 0.000 0.973 1101 Y CA -1.044 56.990 58.100 -0.109 0.000 1.064 1101 Y CB 1.676 40.117 38.460 -0.031 0.000 1.207 1101 Y HN -0.187 nan 8.280 nan 0.000 0.452 1102 T N 3.245 117.873 114.554 0.124 0.000 2.937 1102 T HA 0.270 4.620 4.350 0.000 0.000 0.297 1102 T C -1.258 173.482 174.700 0.066 0.000 0.991 1102 T CA -1.005 61.148 62.100 0.088 0.000 0.990 1102 T CB 0.799 69.707 68.868 0.066 0.000 0.991 1102 T HN 0.566 nan 8.240 nan 0.000 0.440 1103 N N 3.252 121.973 118.700 0.035 0.000 2.577 1103 N HA 0.201 4.942 4.740 0.000 0.000 0.275 1103 N C 0.621 176.026 175.510 -0.174 0.000 1.091 1103 N CA -0.287 52.738 53.050 -0.042 0.000 0.843 1103 N CB 1.758 40.251 38.487 0.011 0.000 1.295 1103 N HN 0.272 nan 8.380 nan 0.000 0.530 1104 V N 2.171 121.894 119.914 -0.319 0.000 2.379 1104 V HA -0.112 4.008 4.120 0.000 0.000 0.245 1104 V C 1.547 177.470 176.094 -0.284 0.000 1.044 1104 V CA 1.332 63.301 62.300 -0.552 0.000 1.036 1104 V CB -0.171 31.308 31.823 -0.573 0.000 0.664 1104 V HN 0.580 nan 8.190 nan 0.000 0.453 1105 D N -0.302 119.992 120.400 -0.177 0.000 2.219 1105 D HA -0.142 4.498 4.640 0.000 0.000 0.205 1105 D C 2.168 178.412 176.300 -0.093 0.000 0.970 1105 D CA 0.845 54.776 54.000 -0.115 0.000 0.851 1105 D CB -0.083 40.664 40.800 -0.089 0.000 0.943 1105 D HN 0.339 nan 8.370 nan 0.000 0.488 1106 Q N 0.349 120.096 119.800 -0.088 0.000 2.389 1106 Q HA -0.039 4.301 4.340 0.000 0.000 0.204 1106 Q C -0.020 175.960 176.000 -0.033 0.000 0.944 1106 Q CA 0.254 56.018 55.803 -0.064 0.000 0.908 1106 Q CB 0.013 28.715 28.738 -0.060 0.000 1.002 1106 Q HN 0.158 nan 8.270 nan 0.000 0.493 1107 D N -0.656 119.729 120.400 -0.025 0.000 2.800 1107 D HA -0.184 4.456 4.640 0.000 0.000 0.232 1107 D C -1.163 175.203 176.300 0.111 0.000 1.137 1107 D CA 0.392 54.435 54.000 0.072 0.000 0.718 1107 D CB -1.129 39.730 40.800 0.099 0.000 1.084 1107 D HN 0.197 nan 8.370 nan 0.000 0.432 1108 L N -0.595 120.692 121.223 0.107 0.000 2.341 1108 L HA 0.802 5.142 4.340 0.000 0.000 0.267 1108 L C -0.052 176.947 176.870 0.215 0.000 1.009 1108 L CA -0.994 53.946 54.840 0.166 0.000 0.819 1108 L CB 2.314 44.455 42.059 0.136 0.000 1.323 1108 L HN -0.167 nan 8.230 nan 0.000 0.425 1109 V N 0.611 120.644 119.914 0.198 0.000 2.932 1109 V HA 0.775 4.895 4.120 0.000 0.000 0.307 1109 V C -0.336 175.631 176.094 -0.212 0.000 1.147 1109 V CA -0.561 61.702 62.300 -0.062 0.000 0.951 1109 V CB 2.163 33.801 31.823 -0.308 0.000 1.031 1109 V HN 0.844 nan 8.190 nan 0.000 0.426 1110 G N 2.462 110.946 108.800 -0.527 0.000 2.662 1110 G HA2 0.677 4.637 3.960 0.000 0.000 0.302 1110 G HA3 0.677 4.637 3.960 0.000 0.000 0.302 1110 G C -1.570 172.886 174.900 -0.740 0.000 1.389 1110 G CA -0.389 44.231 45.100 -0.799 0.000 0.998 1110 G HN 0.471 nan 8.290 nan 0.000 0.502 1111 W N 0.834 121.958 121.300 -0.292 0.000 2.719 1111 W HA 0.417 5.077 4.660 0.000 0.000 0.352 1111 W C -2.313 174.060 176.519 -0.243 0.000 1.085 1111 W CA -2.254 54.954 57.345 -0.228 0.000 1.187 1111 W CB 1.793 31.169 29.460 -0.139 0.000 1.417 1111 W HN 0.282 nan 8.180 nan 0.000 0.557 1112 P HA 0.030 nan 4.420 nan 0.000 0.264 1112 P C -0.202 177.113 177.300 0.025 0.000 1.193 1112 P CA 0.436 63.531 63.100 -0.010 0.000 0.763 1112 P CB 0.254 31.944 31.700 -0.016 0.000 0.810 1113 A N 6.041 128.866 122.820 0.009 0.000 2.477 1113 A HA 0.321 4.641 4.320 0.000 0.000 0.246 1113 A C -1.898 175.687 177.584 0.001 0.000 1.078 1113 A CA -1.066 50.984 52.037 0.021 0.000 0.770 1113 A CB -1.240 17.777 19.000 0.028 0.000 1.011 1113 A HN 0.426 nan 8.150 nan 0.000 0.494 1114 P HA -0.010 nan 4.420 nan 0.000 0.261 1114 P C -0.375 176.913 177.300 -0.021 0.000 1.173 1114 P CA 0.282 63.361 63.100 -0.036 0.000 0.760 1114 P CB 0.334 32.002 31.700 -0.052 0.000 0.783 1115 Q N 2.189 121.974 119.800 -0.025 0.000 2.263 1115 Q HA 0.179 4.519 4.340 0.000 0.000 0.289 1115 Q C 1.609 177.600 176.000 -0.015 0.000 1.061 1115 Q CA 1.693 57.486 55.803 -0.017 0.000 0.927 1115 Q CB -0.024 28.703 28.738 -0.019 0.000 1.154 1115 Q HN 0.892 nan 8.270 nan 0.000 0.378 1116 G N 1.942 110.738 108.800 -0.007 0.000 2.284 1116 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 1116 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 1116 G C 0.357 175.256 174.900 -0.001 0.000 1.009 1116 G CA 0.254 45.352 45.100 -0.005 0.000 0.625 1116 G HN 0.789 nan 8.290 nan 0.000 0.501 1117 S N 0.287 115.986 115.700 -0.002 0.000 2.608 1117 S HA 0.639 5.109 4.470 0.000 0.000 0.261 1117 S C 0.231 174.838 174.600 0.011 0.000 1.314 1117 S CA 0.481 58.683 58.200 0.004 0.000 0.992 1117 S CB 1.871 65.075 63.200 0.007 0.000 0.935 1117 S HN 0.889 nan 8.310 nan 0.000 0.564 1118 R N 0.335 120.844 120.500 0.014 0.000 2.670 1118 R HA 0.517 4.857 4.340 0.000 0.000 0.289 1118 R C -1.042 175.276 176.300 0.030 0.000 0.965 1118 R CA -0.479 55.633 56.100 0.019 0.000 0.899 1118 R CB 1.720 32.028 30.300 0.012 0.000 1.173 1118 R HN 0.729 nan 8.270 nan 0.000 0.456 1119 S N 3.326 119.048 115.700 0.036 0.000 2.578 1119 S HA 0.433 4.903 4.470 0.000 0.000 0.283 1119 S C -0.096 174.530 174.600 0.043 0.000 1.195 1119 S CA -0.695 57.537 58.200 0.053 0.000 1.050 1119 S CB 1.021 64.258 63.200 0.062 0.000 1.012 1119 S HN 0.412 nan 8.310 nan 0.000 0.511 1120 L N 2.211 123.468 121.223 0.056 0.000 2.421 1120 L HA 0.437 4.777 4.340 0.000 0.000 0.263 1120 L C 0.917 177.790 176.870 0.005 0.000 1.122 1120 L CA -0.632 54.231 54.840 0.039 0.000 0.804 1120 L CB 0.780 42.876 42.059 0.062 0.000 1.150 1120 L HN 0.662 nan 8.230 nan 0.000 0.457 1121 T N -0.844 113.660 114.554 -0.082 0.000 2.929 1121 T HA 0.528 4.878 4.350 0.000 0.000 0.284 1121 T C -2.564 172.069 174.700 -0.112 0.000 1.014 1121 T CA -2.146 59.868 62.100 -0.144 0.000 1.051 1121 T CB 1.537 70.221 68.868 -0.307 0.000 1.028 1121 T HN 0.215 nan 8.240 nan 0.000 0.485 1122 P HA 0.246 nan 4.420 nan 0.000 0.271 1122 P C -0.238 177.070 177.300 0.014 0.000 1.233 1122 P CA -0.737 62.352 63.100 -0.019 0.000 0.789 1122 P CB 0.335 32.020 31.700 -0.025 0.000 0.951 1123 C N 1.310 120.652 119.300 0.069 0.000 2.398 1123 C HA 0.532 4.992 4.460 0.000 0.000 0.364 1123 C C 0.893 175.930 174.990 0.079 0.000 1.219 1123 C CA 0.424 59.520 59.018 0.130 0.000 2.312 1123 C CB -0.421 27.379 27.740 0.099 0.000 2.428 1123 C HN 0.749 nan 8.230 nan 0.000 0.564 1124 T N 0.008 114.622 114.554 0.099 0.000 3.672 1124 T HA 0.156 4.506 4.350 0.000 0.000 0.296 1124 T C 0.336 175.068 174.700 0.052 0.000 0.979 1124 T CA 0.036 62.172 62.100 0.060 0.000 1.013 1124 T CB -0.992 67.906 68.868 0.051 0.000 1.184 1124 T HN 0.903 nan 8.240 nan 0.000 0.477 1125 C N -1.291 118.037 119.300 0.046 0.000 3.097 1125 C HA 0.753 5.213 4.460 0.000 0.000 0.335 1125 C C 2.184 177.185 174.990 0.019 0.000 1.283 1125 C CA 0.112 59.146 59.018 0.027 0.000 1.778 1125 C CB -0.833 26.917 27.740 0.016 0.000 2.365 1125 C HN 1.041 nan 8.230 nan 0.000 0.627 1126 G N 1.691 110.503 108.800 0.020 0.000 2.147 1126 G HA2 -0.210 3.750 3.960 0.000 0.000 0.244 1126 G HA3 -0.210 3.750 3.960 0.000 0.000 0.244 1126 G C 0.104 175.011 174.900 0.010 0.000 1.005 1126 G CA 0.622 45.732 45.100 0.016 0.000 0.713 1126 G HN 0.970 nan 8.290 nan 0.000 0.515 1127 S N -0.328 115.374 115.700 0.004 0.000 2.576 1127 S HA 0.542 5.012 4.470 0.000 0.000 0.276 1127 S C 1.661 176.251 174.600 -0.017 0.000 1.339 1127 S CA 0.762 58.959 58.200 -0.005 0.000 1.039 1127 S CB 0.814 64.011 63.200 -0.005 0.000 0.902 1127 S HN 1.320 nan 8.310 nan 0.000 0.516 1128 S N 1.844 117.530 115.700 -0.022 0.000 2.540 1128 S HA 0.246 4.716 4.470 0.000 0.000 0.218 1128 S C -0.378 174.175 174.600 -0.078 0.000 0.977 1128 S CA -0.460 57.722 58.200 -0.030 0.000 0.918 1128 S CB 0.021 63.213 63.200 -0.013 0.000 0.806 1128 S HN 0.663 nan 8.310 nan 0.000 0.496 1129 D N 2.350 122.690 120.400 -0.099 0.000 2.443 1129 D HA 0.449 5.089 4.640 0.000 0.000 0.221 1129 D C -0.478 175.602 176.300 -0.367 0.000 1.097 1129 D CA -0.063 53.819 54.000 -0.198 0.000 0.865 1129 D CB 1.099 41.843 40.800 -0.092 0.000 1.034 1129 D HN 0.333 nan 8.370 nan 0.000 0.511 1130 L N 1.805 122.715 121.223 -0.522 0.000 2.334 1130 L HA 0.512 4.852 4.340 0.000 0.000 0.270 1130 L C -0.762 175.570 176.870 -0.897 0.000 1.018 1130 L CA -1.051 53.475 54.840 -0.523 0.000 0.811 1130 L CB 1.223 43.062 42.059 -0.366 0.000 1.271 1130 L HN 0.226 nan 8.230 nan 0.000 0.443 1131 Y N 1.533 121.764 120.300 -0.116 0.000 2.354 1131 Y HA 0.414 4.964 4.550 0.000 0.000 0.330 1131 Y C -0.577 175.249 175.900 -0.123 0.000 1.011 1131 Y CA -0.739 57.301 58.100 -0.101 0.000 1.099 1131 Y CB 2.047 40.462 38.460 -0.076 0.000 1.179 1131 Y HN 0.251 nan 8.280 nan 0.000 0.442 1132 L N 4.742 125.945 121.223 -0.033 0.000 2.275 1132 L HA 0.647 4.987 4.340 0.000 0.000 0.288 1132 L C -1.065 175.747 176.870 -0.097 0.000 1.046 1132 L CA -0.790 53.978 54.840 -0.119 0.000 0.805 1132 L CB 1.127 43.037 42.059 -0.249 0.000 1.193 1132 L HN 0.421 nan 8.230 nan 0.000 0.426 1133 V N 4.966 124.831 119.914 -0.082 0.000 2.348 1133 V HA 0.367 4.488 4.120 0.000 0.000 0.270 1133 V C 0.793 176.819 176.094 -0.113 0.000 1.037 1133 V CA -0.212 62.045 62.300 -0.070 0.000 0.872 1133 V CB 0.709 32.511 31.823 -0.035 0.000 1.002 1133 V HN 0.958 nan 8.190 nan 0.000 0.464 1134 T N 2.224 116.685 114.554 -0.155 0.000 2.788 1134 T HA 0.242 4.592 4.350 0.000 0.000 0.280 1134 T C 1.185 175.795 174.700 -0.151 0.000 0.984 1134 T CA -0.374 61.600 62.100 -0.211 0.000 0.972 1134 T CB 0.999 69.660 68.868 -0.344 0.000 1.039 1134 T HN 0.569 nan 8.240 nan 0.000 0.530 1135 R N -0.457 119.905 120.500 -0.230 0.000 2.152 1135 R HA -0.105 4.235 4.340 0.000 0.000 0.232 1135 R C 1.423 177.607 176.300 -0.192 0.000 1.117 1135 R CA 1.114 57.083 56.100 -0.219 0.000 0.981 1135 R CB -0.381 29.756 30.300 -0.270 0.000 0.870 1135 R HN 0.736 nan 8.270 nan 0.000 0.451 1136 H N -0.042 119.057 119.070 0.048 0.000 2.547 1136 H HA 0.210 4.766 4.556 0.000 0.000 0.274 1136 H C 0.700 176.074 175.328 0.075 0.000 1.024 1136 H CA 0.638 56.735 56.048 0.082 0.000 1.155 1136 H CB 0.308 30.156 29.762 0.142 0.000 1.344 1136 H HN 0.368 nan 8.280 nan 0.000 0.598 1137 A N 0.999 123.877 122.820 0.098 0.000 2.872 1137 A HA -0.195 4.125 4.320 0.000 0.000 0.273 1137 A C -0.410 177.228 177.584 0.090 0.000 1.442 1137 A CA 0.764 52.846 52.037 0.074 0.000 0.801 1137 A CB -1.766 17.297 19.000 0.105 0.000 1.031 1137 A HN 0.356 nan 8.150 nan 0.000 0.582 1138 D N -0.671 119.784 120.400 0.093 0.000 2.193 1138 D HA 0.524 5.164 4.640 0.000 0.000 0.249 1138 D C -0.028 176.289 176.300 0.027 0.000 1.034 1138 D CA -0.122 53.939 54.000 0.101 0.000 0.902 1138 D CB 1.763 42.685 40.800 0.205 0.000 1.182 1138 D HN 0.215 nan 8.370 nan 0.000 0.436 1139 V N 3.381 123.322 119.914 0.043 0.000 2.313 1139 V HA 0.283 4.403 4.120 0.000 0.000 0.278 1139 V C 0.306 176.441 176.094 0.069 0.000 1.017 1139 V CA -0.752 61.569 62.300 0.034 0.000 0.823 1139 V CB 0.706 32.541 31.823 0.020 0.000 1.010 1139 V HN 0.361 nan 8.190 nan 0.000 0.443 1140 I N 3.994 124.585 120.570 0.034 0.000 2.377 1140 I HA 0.660 4.830 4.170 0.000 0.000 0.293 1140 I C -2.445 173.705 176.117 0.055 0.000 0.987 1140 I CA -2.549 58.781 61.300 0.050 0.000 1.185 1140 I CB 2.233 40.229 38.000 -0.006 0.000 1.341 1140 I HN 0.326 nan 8.210 nan 0.000 0.455 1141 P HA 0.164 nan 4.420 nan 0.000 0.271 1141 P C -0.683 176.538 177.300 -0.132 0.000 1.216 1141 P CA -0.065 63.024 63.100 -0.018 0.000 0.771 1141 P CB 1.728 33.476 31.700 0.080 0.000 0.864 1142 V N 4.262 124.013 119.914 -0.271 0.000 2.588 1142 V HA 0.376 4.497 4.120 0.000 0.000 0.304 1142 V C 0.388 176.363 176.094 -0.198 0.000 1.042 1142 V CA -0.847 61.342 62.300 -0.185 0.000 0.877 1142 V CB 1.857 33.580 31.823 -0.167 0.000 0.996 1142 V HN 0.453 nan 8.190 nan 0.000 0.425 1143 R N 3.659 124.096 120.500 -0.105 0.000 2.265 1143 R HA 0.378 4.718 4.340 0.000 0.000 0.314 1143 R C -0.051 176.231 176.300 -0.030 0.000 1.053 1143 R CA -0.272 55.782 56.100 -0.076 0.000 0.931 1143 R CB 0.352 30.628 30.300 -0.040 0.000 1.024 1143 R HN 0.745 nan 8.270 nan 0.000 0.457 1144 R N 2.947 123.432 120.500 -0.025 0.000 2.491 1144 R HA 0.179 4.519 4.340 0.000 0.000 0.283 1144 R C -0.239 176.090 176.300 0.049 0.000 1.072 1144 R CA 0.050 56.177 56.100 0.045 0.000 1.048 1144 R CB 0.582 30.908 30.300 0.042 0.000 0.983 1144 R HN 0.538 nan 8.270 nan 0.000 0.450 1145 R N 2.505 123.050 120.500 0.075 0.000 2.637 1145 R HA 0.274 4.615 4.340 0.000 0.000 0.446 1145 R C -0.449 175.865 176.300 0.024 0.000 1.024 1145 R CA 0.110 56.233 56.100 0.039 0.000 1.080 1145 R CB 1.356 31.674 30.300 0.030 0.000 1.421 1145 R HN 0.946 nan 8.270 nan 0.000 0.593 1146 G N -0.237 108.582 108.800 0.032 0.000 2.356 1146 G HA2 -0.090 3.870 3.960 0.000 0.000 0.288 1146 G HA3 -0.090 3.870 3.960 0.000 0.000 0.288 1146 G C -0.383 174.506 174.900 -0.019 0.000 1.302 1146 G CA -0.586 44.507 45.100 -0.011 0.000 0.887 1146 G HN -0.085 nan 8.290 nan 0.000 0.521 1147 D N -0.184 120.166 120.400 -0.084 0.000 2.144 1147 D HA -0.024 4.617 4.640 0.000 0.000 0.200 1147 D C 2.051 178.155 176.300 -0.326 0.000 0.978 1147 D CA 2.165 56.102 54.000 -0.105 0.000 0.833 1147 D CB 0.048 40.781 40.800 -0.113 0.000 0.961 1147 D HN 0.685 nan 8.370 nan 0.000 0.470 1148 S N -0.854 114.510 115.700 -0.561 0.000 2.901 1148 S HA 0.480 4.950 4.470 0.000 0.000 0.248 1148 S C 0.053 174.103 174.600 -0.917 0.000 1.021 1148 S CA -0.772 56.698 58.200 -1.217 0.000 1.090 1148 S CB 1.093 63.889 63.200 -0.672 0.000 1.039 1148 S HN -0.066 nan 8.310 nan 0.000 0.514 1149 R N -0.087 120.138 120.500 -0.458 0.000 2.584 1149 R HA 0.716 5.056 4.340 0.000 0.000 0.276 1149 R C -0.629 175.813 176.300 0.236 0.000 1.046 1149 R CA -0.070 56.009 56.100 -0.034 0.000 0.906 1149 R CB 1.956 32.228 30.300 -0.046 0.000 1.215 1149 R HN 0.417 nan 8.270 nan 0.000 0.449 1150 G N 0.448 109.406 108.800 0.263 0.000 2.612 1150 G HA2 0.470 4.430 3.960 0.000 0.000 0.298 1150 G HA3 0.470 4.430 3.960 0.000 0.000 0.298 1150 G C -1.375 173.580 174.900 0.092 0.000 1.336 1150 G CA -0.664 44.538 45.100 0.169 0.000 0.953 1150 G HN 0.539 nan 8.290 nan 0.000 0.482 1151 S N 0.567 116.292 115.700 0.043 0.000 2.475 1151 S HA 0.615 5.085 4.470 0.000 0.000 0.298 1151 S C -0.096 174.508 174.600 0.007 0.000 1.119 1151 S CA -0.761 57.456 58.200 0.029 0.000 1.085 1151 S CB 1.471 64.683 63.200 0.021 0.000 1.028 1151 S HN 0.549 nan 8.310 nan 0.000 0.489 1152 L N 3.698 124.930 121.223 0.015 0.000 2.477 1152 L HA 0.144 4.484 4.340 0.000 0.000 0.272 1152 L C 1.370 178.246 176.870 0.010 0.000 1.157 1152 L CA -0.434 54.409 54.840 0.006 0.000 0.889 1152 L CB 0.146 42.219 42.059 0.024 0.000 1.158 1152 L HN 0.766 nan 8.230 nan 0.000 0.473 1153 L N 1.817 123.040 121.223 0.001 0.000 2.191 1153 L HA -0.088 4.252 4.340 0.000 0.000 0.212 1153 L C 0.469 177.352 176.870 0.021 0.000 1.103 1153 L CA 0.947 55.791 54.840 0.008 0.000 0.769 1153 L CB -0.298 41.764 42.059 0.005 0.000 0.908 1153 L HN 0.610 nan 8.230 nan 0.000 0.438 1154 S N 0.270 115.989 115.700 0.032 0.000 2.745 1154 S HA 0.351 4.821 4.470 0.000 0.000 0.283 1154 S C -2.345 172.288 174.600 0.054 0.000 1.170 1154 S CA -1.080 57.145 58.200 0.042 0.000 1.119 1154 S CB 1.484 64.714 63.200 0.050 0.000 1.035 1154 S HN -0.034 nan 8.310 nan 0.000 0.483 1155 P HA 0.258 nan 4.420 nan 0.000 0.267 1155 P C -0.470 176.875 177.300 0.075 0.000 1.200 1155 P CA -0.206 62.928 63.100 0.057 0.000 0.772 1155 P CB 0.676 32.402 31.700 0.043 0.000 0.855 1156 R N 2.310 122.872 120.500 0.104 0.000 2.808 1156 R HA 0.515 4.855 4.340 0.000 0.000 0.272 1156 R C -2.552 173.828 176.300 0.133 0.000 0.995 1156 R CA -2.231 53.953 56.100 0.140 0.000 0.917 1156 R CB 1.364 31.845 30.300 0.301 0.000 1.217 1156 R HN 0.253 nan 8.270 nan 0.000 0.471 1157 P HA -0.007 nan 4.420 nan 0.000 0.263 1157 P C 0.397 177.791 177.300 0.155 0.000 1.195 1157 P CA 0.015 63.179 63.100 0.107 0.000 0.762 1157 P CB 0.410 32.153 31.700 0.071 0.000 0.799 1158 I N 4.039 124.684 120.570 0.125 0.000 2.502 1158 I HA -0.273 3.897 4.170 0.000 0.000 0.258 1158 I C 1.769 177.985 176.117 0.164 0.000 1.172 1158 I CA 1.890 63.272 61.300 0.137 0.000 1.430 1158 I CB -0.709 37.353 38.000 0.103 0.000 1.086 1158 I HN 0.326 nan 8.210 nan 0.000 0.440 1159 S N -0.945 114.854 115.700 0.165 0.000 2.436 1159 S HA -0.213 4.257 4.470 0.000 0.000 0.228 1159 S C 2.191 176.956 174.600 0.274 0.000 1.014 1159 S CA 0.634 58.943 58.200 0.181 0.000 0.950 1159 S CB -1.034 62.250 63.200 0.139 0.000 0.784 1159 S HN 0.535 nan 8.310 nan 0.000 0.504 1160 Y N 2.598 122.971 120.300 0.122 0.000 2.165 1160 Y HA 0.038 4.588 4.550 0.000 0.000 0.286 1160 Y C 1.877 177.877 175.900 0.167 0.000 1.155 1160 Y CA 1.021 59.213 58.100 0.153 0.000 1.164 1160 Y CB -0.680 37.837 38.460 0.095 0.000 0.978 1160 Y HN 0.268 nan 8.280 nan 0.000 0.513 1161 L N 0.430 121.734 121.223 0.134 0.000 2.313 1161 L HA -0.033 4.307 4.340 0.000 0.000 0.214 1161 L C 1.533 178.499 176.870 0.161 0.000 1.119 1161 L CA 0.658 55.506 54.840 0.013 0.000 0.809 1161 L CB -1.120 40.993 42.059 0.090 0.000 0.933 1161 L HN 0.112 nan 8.230 nan 0.000 0.449 1162 K N 0.636 121.150 120.400 0.189 0.000 2.527 1162 K HA 0.275 4.595 4.320 0.000 0.000 0.278 1162 K C 1.242 177.931 176.600 0.148 0.000 0.981 1162 K CA 0.477 56.873 56.287 0.183 0.000 1.009 1162 K CB -0.691 31.910 32.500 0.169 0.000 0.895 1162 K HN 0.470 nan 8.250 nan 0.000 0.493 1163 G N 0.334 109.235 108.800 0.167 0.000 2.148 1163 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 1163 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 1163 G C 0.858 175.852 174.900 0.157 0.000 0.981 1163 G CA 0.820 46.012 45.100 0.154 0.000 0.670 1163 G HN 1.251 nan 8.290 nan 0.000 0.528 1164 S N -0.079 115.763 115.700 0.237 0.000 2.603 1164 S HA 0.316 4.787 4.470 0.000 0.000 0.232 1164 S C 1.070 175.979 174.600 0.515 0.000 1.016 1164 S CA 0.450 58.814 58.200 0.273 0.000 0.976 1164 S CB 0.548 63.815 63.200 0.112 0.000 0.921 1164 S HN 0.677 nan 8.310 nan 0.000 0.516 1165 S N 1.737 117.660 115.700 0.372 0.000 2.546 1165 S HA 0.395 4.865 4.470 0.000 0.000 0.290 1165 S C 1.416 176.140 174.600 0.207 0.000 1.262 1165 S CA 0.502 58.780 58.200 0.129 0.000 1.083 1165 S CB 0.312 63.502 63.200 -0.017 0.000 0.859 1165 S HN 0.725 nan 8.310 nan 0.000 0.495 1166 G N 2.459 111.384 108.800 0.208 0.000 2.213 1166 G HA2 -0.143 3.817 3.960 0.000 0.000 0.226 1166 G HA3 -0.143 3.817 3.960 0.000 0.000 0.226 1166 G C 0.354 175.397 174.900 0.239 0.000 0.992 1166 G CA -0.336 44.901 45.100 0.228 0.000 0.632 1166 G HN 1.134 nan 8.290 nan 0.000 0.511 1167 G N 0.830 109.779 108.800 0.249 0.000 2.539 1167 G HA2 0.633 4.593 3.960 0.000 0.000 0.258 1167 G HA3 0.633 4.593 3.960 0.000 0.000 0.258 1167 G C -1.919 173.065 174.900 0.140 0.000 1.202 1167 G CA -0.448 44.752 45.100 0.167 0.000 0.851 1167 G HN 0.287 nan 8.290 nan 0.000 0.556 1168 P HA 0.280 nan 4.420 nan 0.000 0.278 1168 P C -0.875 176.423 177.300 -0.003 0.000 1.238 1168 P CA -0.472 62.656 63.100 0.047 0.000 0.794 1168 P CB 1.522 33.247 31.700 0.041 0.000 0.955 1169 L N 3.132 124.324 121.223 -0.051 0.000 2.287 1169 L HA 0.381 4.721 4.340 0.000 0.000 0.287 1169 L C 0.218 177.033 176.870 -0.091 0.000 1.022 1169 L CA -0.273 54.489 54.840 -0.130 0.000 0.814 1169 L CB 0.814 42.679 42.059 -0.323 0.000 1.217 1169 L HN 0.216 nan 8.230 nan 0.000 0.420 1170 L N 3.084 124.296 121.223 -0.019 0.000 2.322 1170 L HA 0.555 4.895 4.340 0.000 0.000 0.279 1170 L C 0.386 177.302 176.870 0.077 0.000 1.036 1170 L CA -0.814 54.049 54.840 0.038 0.000 0.807 1170 L CB 1.526 43.625 42.059 0.067 0.000 1.226 1170 L HN 0.727 nan 8.230 nan 0.000 0.433 1171 C N 1.416 120.743 119.300 0.045 0.000 2.553 1171 C HA 0.346 4.806 4.460 0.000 0.000 0.345 1171 C C -1.024 174.027 174.990 0.102 0.000 1.369 1171 C CA -0.976 58.077 59.018 0.058 0.000 2.447 1171 C CB 0.710 28.452 27.740 0.003 0.000 2.358 1171 C HN 0.703 nan 8.230 nan 0.000 0.676 1172 P HA -0.014 nan 4.420 nan 0.000 0.218 1172 P C 1.335 178.573 177.300 -0.103 0.000 1.148 1172 P CA 2.689 65.811 63.100 0.037 0.000 0.822 1172 P CB -0.181 31.557 31.700 0.062 0.000 0.784 1173 A N -0.896 121.817 122.820 -0.178 0.000 2.235 1173 A HA 0.386 4.706 4.320 0.000 0.000 0.208 1173 A C 1.494 178.865 177.584 -0.355 0.000 1.172 1173 A CA 0.707 52.557 52.037 -0.313 0.000 0.786 1173 A CB -1.410 17.294 19.000 -0.493 0.000 0.804 1173 A HN 0.245 nan 8.150 nan 0.000 0.479 1174 G N -0.639 108.045 108.800 -0.193 0.000 2.212 1174 G HA2 -0.236 3.724 3.960 0.000 0.000 0.255 1174 G HA3 -0.236 3.724 3.960 0.000 0.000 0.255 1174 G C -0.170 174.784 174.900 0.091 0.000 1.062 1174 G CA 0.414 45.481 45.100 -0.055 0.000 0.815 1174 G HN 0.848 nan 8.290 nan 0.000 0.497 1175 H N -0.399 118.675 119.070 0.007 0.000 2.533 1175 H HA 0.659 5.215 4.556 0.000 0.000 0.343 1175 H C 0.658 175.983 175.328 -0.004 0.000 1.160 1175 H CA -0.655 55.395 56.048 0.004 0.000 1.218 1175 H CB 1.651 31.416 29.762 0.004 0.000 1.566 1175 H HN 0.499 nan 8.280 nan 0.000 0.522 1176 A N 1.873 124.768 122.820 0.125 0.000 2.454 1176 A HA 0.211 4.531 4.320 0.000 0.000 0.260 1176 A C 0.732 178.323 177.584 0.011 0.000 1.106 1176 A CA -0.363 51.700 52.037 0.044 0.000 0.780 1176 A CB 0.142 19.160 19.000 0.029 0.000 1.044 1176 A HN 0.577 nan 8.150 nan 0.000 0.498 1177 V N 2.386 122.273 119.914 -0.045 0.000 3.212 1177 V HA 0.424 4.544 4.120 0.000 0.000 0.244 1177 V C 1.218 177.263 176.094 -0.081 0.000 1.151 1177 V CA 1.189 63.442 62.300 -0.078 0.000 1.119 1177 V CB -0.162 31.561 31.823 -0.165 0.000 0.838 1177 V HN 1.241 nan 8.190 nan 0.000 0.470 1178 G N -0.555 108.174 108.800 -0.118 0.000 2.506 1178 G HA2 0.544 4.504 3.960 0.000 0.000 0.292 1178 G HA3 0.544 4.504 3.960 0.000 0.000 0.292 1178 G C -1.857 173.059 174.900 0.027 0.000 1.425 1178 G CA -0.797 44.309 45.100 0.008 0.000 0.788 1178 G HN 0.047 nan 8.290 nan 0.000 0.490 1179 L N 0.552 121.844 121.223 0.115 0.000 2.322 1179 L HA 0.512 4.852 4.340 0.000 0.000 0.279 1179 L C -0.011 177.020 176.870 0.268 0.000 1.036 1179 L CA -0.832 54.101 54.840 0.155 0.000 0.807 1179 L CB 1.934 44.067 42.059 0.124 0.000 1.226 1179 L HN 0.598 nan 8.230 nan 0.000 0.433 1180 F N 2.778 122.788 119.950 0.100 0.000 2.543 1180 F HA 0.105 4.633 4.527 0.000 0.000 0.375 1180 F C 1.204 177.088 175.800 0.139 0.000 1.075 1180 F CA 0.198 58.269 58.000 0.120 0.000 1.225 1180 F CB 0.564 39.606 39.000 0.069 0.000 1.099 1180 F HN 0.543 nan 8.300 nan 0.000 0.561 1181 R N 3.981 124.340 120.500 -0.236 0.000 2.167 1181 R HA 0.503 4.843 4.340 0.000 0.000 0.195 1181 R C -0.716 175.293 176.300 -0.486 0.000 1.027 1181 R CA 0.632 56.585 56.100 -0.246 0.000 1.114 1181 R CB 0.528 30.790 30.300 -0.063 0.000 1.075 1181 R HN 0.709 nan 8.270 nan 0.000 0.538 1182 A N -0.057 122.426 122.820 -0.561 0.000 2.608 1182 A HA 0.690 5.010 4.320 0.000 0.000 0.292 1182 A C -1.701 175.808 177.584 -0.126 0.000 1.066 1182 A CA -0.425 51.350 52.037 -0.436 0.000 0.676 1182 A CB 1.225 20.067 19.000 -0.263 0.000 1.277 1182 A HN 0.260 nan 8.150 nan 0.000 0.413 1183 A N 0.004 122.845 122.820 0.036 0.000 2.295 1183 A HA 0.644 4.964 4.320 0.000 0.000 0.318 1183 A C -0.256 177.384 177.584 0.095 0.000 1.134 1183 A CA -0.389 51.772 52.037 0.207 0.000 0.827 1183 A CB 0.777 19.941 19.000 0.274 0.000 1.136 1183 A HN 1.482 nan 8.150 nan 0.000 0.493 1184 V N 2.191 122.164 119.914 0.098 0.000 2.162 1184 V HA 0.081 4.201 4.120 0.000 0.000 0.255 1184 V C 0.669 176.797 176.094 0.056 0.000 1.304 1184 V CA -0.507 61.827 62.300 0.057 0.000 1.198 1184 V CB -0.831 31.021 31.823 0.050 0.000 1.333 1184 V HN 0.928 nan 8.190 nan 0.000 0.493 1185 C N 4.218 123.549 119.300 0.051 0.000 2.689 1185 C HA 0.535 4.995 4.460 0.000 0.000 0.409 1185 C C 0.693 175.704 174.990 0.035 0.000 1.293 1185 C CA 0.529 59.576 59.018 0.049 0.000 2.136 1185 C CB 0.009 27.776 27.740 0.046 0.000 2.719 1185 C HN 0.820 nan 8.230 nan 0.000 0.644 1186 T N 5.982 120.557 114.554 0.036 0.000 3.548 1186 T HA 0.391 4.741 4.350 0.000 0.000 0.329 1186 T C -0.168 174.548 174.700 0.027 0.000 0.960 1186 T CA -0.593 61.523 62.100 0.027 0.000 1.041 1186 T CB 0.837 69.720 68.868 0.025 0.000 1.065 1186 T HN 0.790 nan 8.240 nan 0.000 0.459 1187 R N 1.415 121.928 120.500 0.022 0.000 3.946 1187 R HA -0.256 4.084 4.340 0.000 0.000 0.329 1187 R C 1.226 177.542 176.300 0.027 0.000 1.209 1187 R CA 1.575 57.688 56.100 0.022 0.000 0.909 1187 R CB -2.218 28.093 30.300 0.019 0.000 1.355 1187 R HN 1.618 nan 8.270 nan 0.000 0.539 1188 G N -2.193 106.628 108.800 0.034 0.000 2.195 1188 G HA2 -0.289 3.671 3.960 0.000 0.000 0.224 1188 G HA3 -0.289 3.671 3.960 0.000 0.000 0.224 1188 G C -0.029 174.903 174.900 0.053 0.000 0.990 1188 G CA -0.032 45.094 45.100 0.043 0.000 0.639 1188 G HN 0.262 nan 8.290 nan 0.000 0.514 1189 V N 1.691 121.634 119.914 0.049 0.000 2.347 1189 V HA 0.765 4.885 4.120 0.000 0.000 0.280 1189 V C 0.757 176.889 176.094 0.062 0.000 1.021 1189 V CA -0.364 61.970 62.300 0.057 0.000 0.847 1189 V CB 1.287 33.137 31.823 0.045 0.000 0.990 1189 V HN 1.086 nan 8.190 nan 0.000 0.444 1190 A N 4.107 126.976 122.820 0.081 0.000 2.409 1190 A HA 0.626 4.946 4.320 0.000 0.000 0.267 1190 A C 0.979 178.606 177.584 0.072 0.000 1.127 1190 A CA 0.377 52.465 52.037 0.085 0.000 0.795 1190 A CB 0.536 19.604 19.000 0.112 0.000 1.061 1190 A HN 1.080 nan 8.150 nan 0.000 0.502 1191 K N 1.001 121.438 120.400 0.062 0.000 2.365 1191 K HA 0.685 5.005 4.320 0.000 0.000 0.195 1191 K C 0.677 177.307 176.600 0.051 0.000 1.079 1191 K CA 1.484 57.801 56.287 0.049 0.000 0.979 1191 K CB 0.032 32.555 32.500 0.038 0.000 0.929 1191 K HN 2.028 nan 8.250 nan 0.000 0.523 1192 A N -0.213 122.646 122.820 0.065 0.000 2.566 1192 A HA 0.736 5.056 4.320 0.000 0.000 0.292 1192 A C -0.666 176.992 177.584 0.124 0.000 1.112 1192 A CA 0.009 52.092 52.037 0.076 0.000 0.707 1192 A CB 1.418 20.455 19.000 0.062 0.000 1.302 1192 A HN 0.934 nan 8.150 nan 0.000 0.409 1193 V N -1.677 118.336 119.914 0.165 0.000 2.919 1193 V HA 0.830 4.950 4.120 0.000 0.000 0.316 1193 V C -1.002 175.257 176.094 0.274 0.000 1.077 1193 V CA -0.678 61.799 62.300 0.294 0.000 0.977 1193 V CB 1.857 33.893 31.823 0.355 0.000 1.039 1193 V HN 0.820 nan 8.190 nan 0.000 0.441 1194 D N 2.168 122.721 120.400 0.255 0.000 2.454 1194 D HA 0.613 5.253 4.640 0.000 0.000 0.247 1194 D C -0.687 175.689 176.300 0.126 0.000 1.129 1194 D CA -0.303 53.750 54.000 0.088 0.000 0.877 1194 D CB 0.951 41.742 40.800 -0.016 0.000 1.082 1194 D HN 0.635 nan 8.370 nan 0.000 0.537 1195 F N 1.692 121.677 119.950 0.058 0.000 2.557 1195 F HA 0.667 5.194 4.527 0.000 0.000 0.336 1195 F C -0.543 175.259 175.800 0.004 0.000 1.058 1195 F CA -1.303 56.732 58.000 0.060 0.000 0.988 1195 F CB 0.722 39.778 39.000 0.093 0.000 1.275 1195 F HN 0.005 nan 8.300 nan 0.000 0.488 1196 I N 2.853 123.573 120.570 0.249 0.000 2.297 1196 I HA 0.312 4.482 4.170 0.000 0.000 0.291 1196 I C -2.393 173.849 176.117 0.209 0.000 1.033 1196 I CA -2.044 59.313 61.300 0.094 0.000 1.253 1196 I CB 1.031 39.050 38.000 0.030 0.000 1.396 1196 I HN 0.314 nan 8.210 nan 0.000 0.476 1197 P HA 0.027 nan 4.420 nan 0.000 0.269 1197 P C 1.094 178.400 177.300 0.010 0.000 1.209 1197 P CA -0.204 63.001 63.100 0.175 0.000 0.776 1197 P CB 0.894 32.634 31.700 0.067 0.000 0.876 1198 V N 2.051 121.963 119.914 -0.004 0.000 2.453 1198 V HA -0.261 3.859 4.120 0.000 0.000 0.252 1198 V C 1.900 177.909 176.094 -0.142 0.000 1.068 1198 V CA 1.983 64.219 62.300 -0.105 0.000 1.070 1198 V CB -1.128 30.655 31.823 -0.066 0.000 0.664 1198 V HN 0.574 nan 8.190 nan 0.000 0.461 1199 E N 0.470 120.617 120.200 -0.087 0.000 2.077 1199 E HA -0.163 4.187 4.350 0.000 0.000 0.193 1199 E C 1.986 178.505 176.600 -0.134 0.000 0.989 1199 E CA 1.235 57.579 56.400 -0.093 0.000 0.800 1199 E CB -0.469 29.197 29.700 -0.057 0.000 0.746 1199 E HN 0.602 nan 8.360 nan 0.000 0.452 1200 N N -0.010 118.604 118.700 -0.142 0.000 2.348 1200 N HA -0.126 4.614 4.740 0.000 0.000 0.185 1200 N C 1.183 176.535 175.510 -0.264 0.000 1.019 1200 N CA 0.518 53.469 53.050 -0.165 0.000 0.880 1200 N CB -0.107 38.294 38.487 -0.142 0.000 0.965 1200 N HN 0.070 nan 8.380 nan 0.000 0.437 1201 L N 1.261 122.250 121.223 -0.389 0.000 1.988 1201 L HA -0.098 4.242 4.340 0.000 0.000 0.207 1201 L C 2.733 179.367 176.870 -0.393 0.000 1.071 1201 L CA 2.117 56.549 54.840 -0.681 0.000 0.744 1201 L CB -1.371 40.167 42.059 -0.867 0.000 0.893 1201 L HN 0.349 nan 8.230 nan 0.000 0.433 1202 E N -1.300 118.754 120.200 -0.243 0.000 2.118 1202 E HA -0.232 4.118 4.350 0.000 0.000 0.195 1202 E C 2.149 178.675 176.600 -0.124 0.000 0.992 1202 E CA 1.911 58.226 56.400 -0.141 0.000 0.804 1202 E CB -1.499 28.145 29.700 -0.093 0.000 0.741 1202 E HN 0.554 nan 8.360 nan 0.000 0.458 1203 T N 0.303 114.783 114.554 -0.124 0.000 2.788 1203 T HA -0.134 4.216 4.350 0.000 0.000 0.268 1203 T C 2.225 176.873 174.700 -0.086 0.000 1.044 1203 T CA 1.716 63.761 62.100 -0.092 0.000 1.139 1203 T CB -0.397 68.418 68.868 -0.088 0.000 0.867 1203 T HN 0.550 nan 8.240 nan 0.000 0.454 1204 T N 1.997 116.480 114.554 -0.117 0.000 2.857 1204 T HA 0.092 4.442 4.350 0.000 0.000 0.266 1204 T C 2.050 176.699 174.700 -0.086 0.000 1.048 1204 T CA 0.843 62.904 62.100 -0.064 0.000 1.139 1204 T CB -0.229 68.624 68.868 -0.024 0.000 0.874 1204 T HN 0.340 nan 8.240 nan 0.000 0.455 1205 M N 0.630 120.093 119.600 -0.230 0.000 2.132 1205 M HA -0.023 4.457 4.480 0.000 0.000 0.263 1205 M C 2.455 178.724 176.300 -0.051 0.000 1.065 1205 M CA 1.580 56.661 55.300 -0.365 0.000 1.122 1205 M CB -0.412 31.955 32.600 -0.388 0.000 1.365 1205 M HN 0.084 nan 8.290 nan 0.000 0.411 1206 R N -0.448 120.027 120.500 -0.041 0.000 2.189 1206 R HA 0.073 4.413 4.340 0.000 0.000 0.218 1206 R C 0.767 177.076 176.300 0.016 0.000 1.074 1206 R CA 0.327 56.427 56.100 0.001 0.000 0.991 1206 R CB 0.024 30.316 30.300 -0.013 0.000 0.883 1206 R HN 0.230 nan 8.270 nan 0.000 0.457 1207 S N 0.000 115.706 115.700 0.009 0.000 2.498 1207 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1207 S CA 0.000 58.210 58.200 0.016 0.000 1.107 1207 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 1207 S HN 0.000 nan 8.310 nan 0.000 0.517