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 1z7q_1_k DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS 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 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.005 0.000 0.726 1003 P HA 0.055 nan 4.420 nan 0.000 0.230 1003 P C 1.321 178.625 177.300 0.007 0.000 1.168 1003 P CA 0.652 63.756 63.100 0.005 0.000 0.793 1003 P CB 0.971 32.674 31.700 0.005 0.000 0.851 1004 K N 0.558 120.962 120.400 0.007 0.000 2.137 1004 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 1004 K C 2.282 178.887 176.600 0.008 0.000 1.052 1004 K CA 0.408 56.700 56.287 0.008 0.000 0.961 1004 K CB 0.060 32.564 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.068 120.573 120.500 0.008 0.000 2.148 1005 R HA -0.036 4.304 4.340 -0.000 0.000 0.227 1005 R C 2.210 178.516 176.300 0.009 0.000 1.103 1005 R CA 1.134 57.239 56.100 0.008 0.000 0.983 1005 R CB -0.173 30.131 30.300 0.007 0.000 0.874 1005 R HN 0.194 nan 8.270 nan 0.000 0.451 1006 A N 1.064 123.889 122.820 0.008 0.000 1.929 1006 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 1006 A C 2.316 179.906 177.584 0.011 0.000 1.176 1006 A CA 1.316 53.359 52.037 0.009 0.000 0.628 1006 A CB -0.486 18.519 19.000 0.007 0.000 0.816 1006 A HN 0.356 nan 8.150 nan 0.000 0.444 1007 A N 0.223 123.050 122.820 0.011 0.000 1.845 1007 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 1007 A C 2.151 179.744 177.584 0.015 0.000 1.195 1007 A CA 1.540 53.585 52.037 0.013 0.000 0.616 1007 A CB -0.821 18.186 19.000 0.012 0.000 0.832 1007 A HN 0.458 nan 8.150 nan 0.000 0.443 1008 L N -0.489 120.742 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1008 L C 2.553 179.433 176.870 0.018 0.000 1.074 1008 L CA 1.805 56.655 54.840 0.016 0.000 0.763 1008 L CB -0.630 41.437 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.880 119.699 120.570 0.015 0.000 2.361 1009 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 1009 I C 2.629 178.758 176.117 0.021 0.000 1.133 1009 I CA 0.887 62.196 61.300 0.015 0.000 1.413 1009 I CB -0.194 37.813 38.000 0.012 0.000 1.073 1009 I HN 0.355 nan 8.210 nan 0.000 0.424 1010 Q N 1.573 121.385 119.800 0.021 0.000 2.016 1010 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 1010 Q C 1.918 177.938 176.000 0.032 0.000 0.978 1010 Q CA 1.798 57.615 55.803 0.024 0.000 0.833 1010 Q CB -0.203 28.547 28.738 0.020 0.000 0.895 1010 Q HN 0.397 nan 8.270 nan 0.000 0.427 1011 N N 0.138 118.857 118.700 0.032 0.000 2.149 1011 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 1011 N C 1.786 177.332 175.510 0.059 0.000 1.019 1011 N CA 1.117 54.191 53.050 0.040 0.000 0.857 1011 N CB -0.362 38.146 38.487 0.035 0.000 0.997 1011 N HN 0.281 nan 8.380 nan 0.000 0.426 1012 L N 1.000 122.255 121.223 0.054 0.000 1.989 1012 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 1012 L C 2.267 179.196 176.870 0.097 0.000 1.071 1012 L CA 1.378 56.258 54.840 0.066 0.000 0.749 1012 L CB -0.167 41.909 42.059 0.028 0.000 0.890 1012 L HN 0.142 nan 8.230 nan 0.000 0.431 1013 R N -0.532 120.011 120.500 0.072 0.000 2.280 1013 R HA -0.093 4.247 4.340 -0.000 0.000 0.207 1013 R C 1.306 177.660 176.300 0.091 0.000 1.043 1013 R CA 0.643 56.793 56.100 0.083 0.000 1.006 1013 R CB -0.111 30.222 30.300 0.054 0.000 0.885 1013 R HN 0.434 nan 8.270 nan 0.000 0.467 1014 D N -0.450 119.997 120.400 0.079 0.000 2.305 1014 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 1014 D C 1.418 177.752 176.300 0.057 0.000 0.974 1014 D CA 0.772 54.807 54.000 0.057 0.000 0.871 1014 D CB 0.321 41.144 40.800 0.039 0.000 0.947 1014 D HN 0.014 nan 8.370 nan 0.000 0.516 1015 S N -0.174 115.590 115.700 0.106 0.000 2.414 1015 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 1015 S C 0.237 174.827 174.600 -0.017 0.000 1.022 1015 S CA 0.566 58.816 58.200 0.083 0.000 0.958 1015 S CB 0.094 63.432 63.200 0.231 0.000 0.797 1015 S HN 0.236 nan 8.310 nan 0.000 0.493 1016 Y N 2.243 122.547 120.300 0.008 0.000 2.787 1016 Y HA 0.322 4.872 4.550 -0.000 0.000 0.352 1016 Y C 0.737 176.647 175.900 0.016 0.000 1.027 1016 Y CA -1.321 56.783 58.100 0.007 0.000 1.219 1016 Y CB 0.011 38.474 38.460 0.006 0.000 1.110 1016 Y HN 0.067 nan 8.280 nan 0.000 0.614 1017 T N -3.214 111.396 114.554 0.094 0.000 2.771 1017 T HA 0.099 4.449 4.350 -0.000 0.000 0.290 1017 T C 1.262 176.018 174.700 0.094 0.000 1.005 1017 T CA -0.501 61.649 62.100 0.083 0.000 0.944 1017 T CB 1.141 70.037 68.868 0.045 0.000 1.147 1017 T HN 0.475 nan 8.240 nan 0.000 0.534 1018 E N 0.017 120.276 120.200 0.098 0.000 2.204 1018 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1018 E C 1.962 178.622 176.600 0.099 0.000 0.989 1018 E CA 1.209 57.685 56.400 0.126 0.000 0.824 1018 E CB -0.706 29.073 29.700 0.131 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.357 114.947 114.554 0.061 0.000 2.788 1019 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 1019 T C 2.015 176.731 174.700 0.027 0.000 1.044 1019 T CA 1.375 63.513 62.100 0.064 0.000 1.139 1019 T CB -0.126 68.759 68.868 0.028 0.000 0.867 1019 T HN 0.110 nan 8.240 nan 0.000 0.454 1020 S N 1.874 117.569 115.700 -0.007 0.000 2.356 1020 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 1020 S C 2.530 177.075 174.600 -0.091 0.000 1.032 1020 S CA 1.518 59.679 58.200 -0.064 0.000 1.005 1020 S CB -0.440 62.715 63.200 -0.075 0.000 0.867 1020 S HN 0.762 nan 8.310 nan 0.000 0.449 1021 S N 1.117 116.787 115.700 -0.049 0.000 2.414 1021 S HA 0.021 4.491 4.470 -0.000 0.000 0.227 1021 S C 1.624 176.046 174.600 -0.298 0.000 1.022 1021 S CA 0.430 58.530 58.200 -0.167 0.000 0.958 1021 S CB -0.625 62.541 63.200 -0.058 0.000 0.797 1021 S HN 0.421 nan 8.310 nan 0.000 0.493 1022 F N 3.245 123.021 119.950 -0.289 0.000 2.234 1022 F HA 0.260 4.787 4.527 -0.000 0.000 0.299 1022 F C 2.407 178.017 175.800 -0.317 0.000 1.087 1022 F CA 0.214 58.020 58.000 -0.323 0.000 1.340 1022 F CB -0.991 37.887 39.000 -0.203 0.000 1.031 1022 F HN 0.281 nan 8.300 nan 0.000 0.500 1023 A N -0.050 122.534 122.820 -0.394 0.000 1.902 1023 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1023 A C 2.322 179.617 177.584 -0.483 0.000 1.181 1023 A CA 1.985 53.752 52.037 -0.450 0.000 0.623 1023 A CB -1.379 17.467 19.000 -0.256 0.000 0.818 1023 A HN 0.239 nan 8.150 nan 0.000 0.443 1024 V N 0.576 120.190 119.914 -0.500 0.000 2.407 1024 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 1024 V C 2.379 177.889 176.094 -0.974 0.000 1.055 1024 V CA 1.668 63.562 62.300 -0.676 0.000 1.049 1024 V CB -0.698 30.686 31.823 -0.731 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.026 120.088 120.570 -0.846 0.000 2.353 1025 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 1025 I C 2.506 178.370 176.117 -0.420 0.000 1.119 1025 I CA 1.401 62.302 61.300 -0.665 0.000 1.417 1025 I CB -1.148 36.547 38.000 -0.507 0.000 1.078 1025 I HN 0.453 nan 8.210 nan 0.000 0.421 1026 E N 0.528 120.397 120.200 -0.551 0.000 2.077 1026 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 1026 E C 2.024 178.498 176.600 -0.209 0.000 0.989 1026 E CA 1.267 57.422 56.400 -0.409 0.000 0.800 1026 E CB -0.030 29.335 29.700 -0.558 0.000 0.746 1026 E HN 0.331 nan 8.360 nan 0.000 0.452 1027 E N 0.452 120.528 120.200 -0.207 0.000 2.058 1027 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 1027 E C 1.524 178.207 176.600 0.139 0.000 0.997 1027 E CA 1.340 57.714 56.400 -0.043 0.000 0.801 1027 E CB -0.273 29.408 29.700 -0.032 0.000 0.746 1027 E HN 0.291 nan 8.360 nan 0.000 0.450 1028 W N 0.536 121.760 121.300 -0.128 0.000 2.425 1028 W HA 0.154 4.814 4.660 -0.000 0.000 0.277 1028 W C 2.368 178.840 176.519 -0.078 0.000 1.231 1028 W CA 0.902 58.190 57.345 -0.095 0.000 1.248 1028 W CB -1.236 28.167 29.460 -0.095 0.000 1.117 1028 W HN 0.250 nan 8.180 nan 0.000 0.568 1029 A N 0.036 122.933 122.820 0.129 0.000 1.902 1029 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 1029 A C 2.101 179.706 177.584 0.035 0.000 1.181 1029 A CA 2.769 54.842 52.037 0.060 0.000 0.623 1029 A CB -0.831 18.171 19.000 0.003 0.000 0.818 1029 A HN 0.122 nan 8.150 nan 0.000 0.443 1030 A N -1.527 121.304 122.820 0.018 0.000 2.417 1030 A HA 0.487 4.807 4.320 -0.000 0.000 0.224 1030 A C 2.329 179.919 177.584 0.009 0.000 2.273 1030 A CA 1.091 53.131 52.037 0.005 0.000 1.018 1030 A CB -1.360 17.631 19.000 -0.014 0.000 1.400 1030 A HN 0.752 nan 8.150 nan 0.000 0.580 1031 G N -0.286 108.517 108.800 0.006 0.000 2.672 1031 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 1031 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 1031 G C 1.497 176.400 174.900 0.005 0.000 1.238 1031 G CA 2.211 47.314 45.100 0.004 0.000 0.791 1031 G HN 0.462 nan 8.290 nan 0.000 0.606 1032 T N 1.073 115.642 114.554 0.026 0.000 2.778 1032 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 1032 T C 2.367 177.031 174.700 -0.060 0.000 1.050 1032 T CA 1.001 63.087 62.100 -0.024 0.000 1.137 1032 T CB -0.144 68.698 68.868 -0.043 0.000 0.860 1032 T HN 0.134 nan 8.240 nan 0.000 0.468 1033 L N 0.329 121.536 121.223 -0.028 0.000 2.109 1033 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 1033 L C 2.829 179.683 176.870 -0.027 0.000 1.086 1033 L CA 1.247 56.065 54.840 -0.037 0.000 0.760 1033 L CB -0.384 41.669 42.059 -0.011 0.000 0.910 1033 L HN 0.311 nan 8.230 nan 0.000 0.437 1034 Q N -0.592 119.199 119.800 -0.015 0.000 2.167 1034 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 1034 Q C 1.956 177.948 176.000 -0.014 0.000 0.970 1034 Q CA 1.411 57.207 55.803 -0.012 0.000 0.855 1034 Q CB -0.010 28.723 28.738 -0.007 0.000 0.911 1034 Q HN 0.282 nan 8.270 nan 0.000 0.438 1035 E N 1.291 121.479 120.200 -0.020 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.627 178.218 176.600 -0.015 0.000 0.989 1035 E CA 1.202 57.591 56.400 -0.019 0.000 0.800 1035 E CB -0.184 29.499 29.700 -0.028 0.000 0.746 1035 E HN 0.365 nan 8.360 nan 0.000 0.452 1036 I N 0.524 121.078 120.570 -0.028 0.000 2.252 1036 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 1036 I C 2.528 178.643 176.117 -0.004 0.000 1.102 1036 I CA 1.584 62.874 61.300 -0.016 0.000 1.385 1036 I CB -0.382 37.591 38.000 -0.045 0.000 1.064 1036 I HN 0.261 nan 8.210 nan 0.000 0.414 1037 E N 1.293 121.486 120.200 -0.012 0.000 2.204 1037 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 1037 E C 2.183 178.781 176.600 -0.003 0.000 0.990 1037 E CA 1.232 57.627 56.400 -0.008 0.000 0.821 1037 E CB -0.099 29.596 29.700 -0.009 0.000 0.750 1037 E HN 0.485 nan 8.360 nan 0.000 0.477 1038 G N 1.089 109.889 108.800 -0.001 0.000 2.394 1038 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G C 1.557 176.462 174.900 0.008 0.000 1.176 1038 G CA 0.565 45.666 45.100 0.002 0.000 0.786 1038 G HN 0.263 nan 8.290 nan 0.000 0.533 1039 I N 1.561 122.141 120.570 0.017 0.000 2.567 1039 I HA -0.136 4.034 4.170 -0.000 0.000 0.257 1039 I C 3.153 179.276 176.117 0.010 0.000 1.184 1039 I CA 0.565 61.883 61.300 0.030 0.000 1.451 1039 I CB -0.090 37.956 38.000 0.077 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.234 125.056 122.820 0.003 0.000 1.845 1040 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1040 A C 2.330 179.904 177.584 -0.018 0.000 1.195 1040 A CA 2.024 54.053 52.037 -0.013 0.000 0.616 1040 A CB -0.487 18.506 19.000 -0.011 0.000 0.832 1040 A HN 0.519 nan 8.150 nan 0.000 0.443 1041 K N -0.612 119.783 120.400 -0.009 0.000 2.365 1041 K HA 0.325 4.645 4.320 -0.000 0.000 0.197 1041 K C 1.871 178.472 176.600 0.000 0.000 1.042 1041 K CA 0.950 57.233 56.287 -0.006 0.000 0.987 1041 K CB -0.270 32.228 32.500 -0.003 0.000 0.779 1041 K HN 0.259 nan 8.250 nan 0.000 0.484 1042 A N 1.907 124.727 122.820 0.001 0.000 1.933 1042 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 1042 A C 2.341 179.928 177.584 0.006 0.000 1.175 1042 A CA 1.677 53.717 52.037 0.006 0.000 0.628 1042 A CB -0.513 18.492 19.000 0.009 0.000 0.814 1042 A HN 0.471 nan 8.150 nan 0.000 0.444 1043 A N -1.202 121.615 122.820 -0.004 0.000 2.238 1043 A HA 0.564 4.884 4.320 -0.000 0.000 0.210 1043 A C 2.133 179.728 177.584 0.018 0.000 1.179 1043 A CA 1.105 53.139 52.037 -0.004 0.000 0.827 1043 A CB -0.450 18.524 19.000 -0.043 0.000 0.856 1043 A HN 0.782 nan 8.150 nan 0.000 0.488 1044 A N 1.246 124.069 122.820 0.005 0.000 1.898 1044 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 1044 A C 1.922 179.537 177.584 0.051 0.000 1.183 1044 A CA 1.418 53.458 52.037 0.004 0.000 0.622 1044 A CB -0.439 18.551 19.000 -0.016 0.000 0.824 1044 A HN 0.683 nan 8.150 nan 0.000 0.444 1045 E N -0.226 119.998 120.200 0.040 0.000 2.216 1045 E HA 0.141 4.491 4.350 -0.000 0.000 0.192 1045 E C 1.813 178.447 176.600 0.057 0.000 0.988 1045 E CA 0.751 57.179 56.400 0.046 0.000 0.834 1045 E CB -0.299 29.418 29.700 0.028 0.000 0.772 1045 E HN 0.433 nan 8.360 nan 0.000 0.479 1046 A N 1.685 124.539 122.820 0.057 0.000 2.066 1046 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1046 A C 2.081 179.709 177.584 0.073 0.000 1.157 1046 A CA 1.336 53.404 52.037 0.052 0.000 0.670 1046 A CB -0.785 18.236 19.000 0.036 0.000 0.804 1046 A HN 0.419 nan 8.150 nan 0.000 0.453 1047 H N -0.386 118.685 119.070 0.002 0.000 2.482 1047 H HA 0.018 4.574 4.556 -0.000 0.000 0.286 1047 H C 2.093 177.429 175.328 0.013 0.000 1.017 1047 H CA 1.372 57.423 56.048 0.005 0.000 1.322 1047 H CB -0.191 29.565 29.762 -0.010 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.449 109.341 108.800 0.153 0.000 2.421 1048 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 1048 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 1048 G C 1.833 176.752 174.900 0.032 0.000 1.143 1048 G CA 0.770 45.930 45.100 0.099 0.000 0.784 1048 G HN 0.306 nan 8.290 nan 0.000 0.541 1049 V N 1.518 121.449 119.914 0.027 0.000 2.261 1049 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 1049 V C 2.758 178.864 176.094 0.021 0.000 1.047 1049 V CA 1.566 63.879 62.300 0.022 0.000 1.015 1049 V CB -0.453 31.386 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.050 120.522 120.570 0.003 0.000 2.567 1050 I HA -0.242 3.928 4.170 -0.000 0.000 0.257 1050 I C 2.657 178.764 176.117 -0.017 0.000 1.184 1050 I CA 1.525 62.843 61.300 0.030 0.000 1.451 1050 I CB -0.472 37.513 38.000 -0.025 0.000 1.089 1050 I HN 0.268 nan 8.210 nan 0.000 0.441 1051 R N 1.446 121.899 120.500 -0.079 0.000 2.148 1051 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 1051 R C 0.746 177.045 176.300 -0.001 0.000 1.088 1051 R CA 1.059 57.122 56.100 -0.062 0.000 0.985 1051 R CB 0.074 30.344 30.300 -0.050 0.000 0.880 1051 R HN 0.354 nan 8.270 nan 0.000 0.451 1052 N N 0.528 119.238 118.700 0.017 0.000 2.380 1052 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 1052 N C -1.109 174.425 175.510 0.040 0.000 1.158 1052 N CA 0.054 53.120 53.050 0.026 0.000 0.878 1052 N CB 1.449 39.949 38.487 0.022 0.000 1.138 1052 N HN -0.008 nan 8.380 nan 0.000 0.509 1053 S N -0.517 115.226 115.700 0.071 0.000 2.599 1053 S HA 0.529 4.999 4.470 -0.000 0.000 0.294 1053 S C -0.124 174.565 174.600 0.148 0.000 1.094 1053 S CA -0.526 57.731 58.200 0.094 0.000 0.931 1053 S CB 2.386 65.656 63.200 0.117 0.000 1.093 1053 S HN -0.008 nan 8.310 nan 0.000 0.488 1054 T N 2.555 117.175 114.554 0.110 0.000 2.770 1054 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 1054 T C -1.285 173.504 174.700 0.148 0.000 0.988 1054 T CA -0.228 61.951 62.100 0.133 0.000 0.957 1054 T CB 0.168 69.073 68.868 0.060 0.000 0.930 1054 T HN 0.386 nan 8.240 nan 0.000 0.443 1055 Y N 1.752 122.047 120.300 -0.008 0.000 2.304 1055 Y HA 0.600 5.150 4.550 -0.000 0.000 0.328 1055 Y C 0.943 176.839 175.900 -0.007 0.000 1.123 1055 Y CA -0.156 57.939 58.100 -0.007 0.000 1.218 1055 Y CB 1.242 39.697 38.460 -0.007 0.000 1.207 1055 Y HN 0.840 nan 8.280 nan 0.000 0.495 1056 G N 2.019 110.847 108.800 0.048 0.000 3.015 1056 G HA2 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G HA3 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G C 0.290 175.202 174.900 0.021 0.000 1.386 1056 G CA -0.916 44.202 45.100 0.031 0.000 0.959 1056 G HN 0.597 nan 8.290 nan 0.000 0.522 1057 R N -0.707 119.801 120.500 0.012 0.000 2.159 1057 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 1057 R C 2.514 178.808 176.300 -0.010 0.000 1.131 1057 R CA 1.895 57.999 56.100 0.007 0.000 0.982 1057 R CB -0.404 29.898 30.300 0.003 0.000 0.868 1057 R HN 0.504 nan 8.270 nan 0.000 0.453 1058 A N 0.619 123.421 122.820 -0.029 0.000 1.940 1058 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 1058 A C 1.882 179.428 177.584 -0.064 0.000 1.176 1058 A CA 1.442 53.452 52.037 -0.046 0.000 0.631 1058 A CB -0.282 18.684 19.000 -0.058 0.000 0.814 1058 A HN 0.407 nan 8.150 nan 0.000 0.446 1059 Q N -0.766 118.976 119.800 -0.097 0.000 2.472 1059 Q HA 0.322 4.662 4.340 -0.000 0.000 0.208 1059 Q C 1.691 177.676 176.000 -0.024 0.000 0.958 1059 Q CA 0.849 56.576 55.803 -0.128 0.000 0.932 1059 Q CB -0.225 28.293 28.738 -0.367 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.227 123.047 122.820 0.001 0.000 2.238 1060 A HA 0.037 4.357 4.320 -0.000 0.000 0.210 1060 A C 0.964 178.543 177.584 -0.009 0.000 1.179 1060 A CA 0.143 52.188 52.037 0.014 0.000 0.827 1060 A CB 0.247 19.260 19.000 0.023 0.000 0.856 1060 A HN 0.217 nan 8.150 nan 0.000 0.488 1061 E N -0.130 120.059 120.200 -0.018 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.223 176.363 176.600 -0.023 0.000 1.029 1061 E CA -0.030 56.358 56.400 -0.020 0.000 0.948 1061 E CB 0.213 29.901 29.700 -0.020 0.000 1.082 1061 E HN 0.411 nan 8.360 nan 0.000 0.456 1062 K N 0.242 120.628 120.400 -0.024 0.000 2.622 1062 K HA 0.207 4.527 4.320 -0.000 0.000 0.273 1062 K C -1.600 174.991 176.600 -0.016 0.000 0.957 1062 K CA -0.408 55.866 56.287 -0.021 0.000 0.861 1062 K CB 1.791 34.277 32.500 -0.024 0.000 1.405 1062 K HN -0.137 nan 8.250 nan 0.000 0.406 1063 S N 3.880 119.574 115.700 -0.009 0.000 2.438 1063 S HA 0.334 4.804 4.470 -0.000 0.000 0.293 1063 S C -2.455 172.167 174.600 0.036 0.000 1.141 1063 S CA -1.127 57.077 58.200 0.007 0.000 1.080 1063 S CB 1.082 64.278 63.200 -0.007 0.000 0.978 1063 S HN 0.400 nan 8.310 nan 0.000 0.479 1064 P HA 0.017 nan 4.420 nan 0.000 0.254 1064 P C 0.158 177.499 177.300 0.068 0.000 1.186 1064 P CA 0.242 63.380 63.100 0.062 0.000 0.868 1064 P CB 0.306 32.061 31.700 0.093 0.000 0.856 1065 E N 2.141 122.366 120.200 0.042 0.000 2.209 1065 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1065 E C 1.905 178.528 176.600 0.038 0.000 0.993 1065 E CA 0.952 57.376 56.400 0.040 0.000 0.819 1065 E CB 0.008 29.723 29.700 0.025 0.000 0.745 1065 E HN 0.606 nan 8.360 nan 0.000 0.477 1066 Q N 0.830 120.650 119.800 0.033 0.000 2.079 1066 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1066 Q C 2.148 178.163 176.000 0.025 0.000 0.974 1066 Q CA 1.015 56.834 55.803 0.026 0.000 0.840 1066 Q CB 0.054 28.805 28.738 0.022 0.000 0.898 1066 Q HN 0.314 nan 8.270 nan 0.000 0.430 1067 L N 0.306 121.548 121.223 0.032 0.000 2.093 1067 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 1067 L C 2.375 179.242 176.870 -0.005 0.000 1.085 1067 L CA 0.742 55.580 54.840 -0.003 0.000 0.755 1067 L CB -0.467 41.586 42.059 -0.011 0.000 0.904 1067 L HN 0.317 nan 8.230 nan 0.000 0.435 1068 L N -0.119 121.137 121.223 0.055 0.000 2.265 1068 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 1068 L C 2.576 179.476 176.870 0.049 0.000 1.117 1068 L CA 0.967 55.851 54.840 0.074 0.000 0.782 1068 L CB -0.972 41.144 42.059 0.095 0.000 0.914 1068 L HN 0.297 nan 8.230 nan 0.000 0.441 1069 G N -0.564 108.258 108.800 0.036 0.000 2.421 1069 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 1069 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 1069 G C 1.548 176.467 174.900 0.032 0.000 1.143 1069 G CA 0.573 45.693 45.100 0.032 0.000 0.784 1069 G HN 0.162 nan 8.290 nan 0.000 0.541 1070 V N 0.889 120.816 119.914 0.021 0.000 2.273 1070 V HA 0.009 4.129 4.120 -0.000 0.000 0.242 1070 V C 2.808 178.931 176.094 0.049 0.000 1.035 1070 V CA 1.013 63.327 62.300 0.022 0.000 1.013 1070 V CB -0.510 31.306 31.823 -0.011 0.000 0.652 1070 V HN 0.292 nan 8.190 nan 0.000 0.452 1071 L N 0.107 121.343 121.223 0.021 0.000 2.263 1071 L HA -0.254 4.086 4.340 -0.000 0.000 0.216 1071 L C 2.546 179.497 176.870 0.134 0.000 1.111 1071 L CA 1.565 56.446 54.840 0.069 0.000 0.773 1071 L CB -0.464 41.608 42.059 0.022 0.000 0.906 1071 L HN 0.425 nan 8.230 nan 0.000 0.439 1072 Q N 0.513 120.368 119.800 0.092 0.000 2.089 1072 Q HA -0.156 4.184 4.340 -0.000 0.000 0.195 1072 Q C 2.258 178.302 176.000 0.073 0.000 0.963 1072 Q CA 1.299 57.148 55.803 0.078 0.000 0.834 1072 Q CB -0.132 28.641 28.738 0.058 0.000 0.906 1072 Q HN 0.224 nan 8.270 nan 0.000 0.452 1073 R N -1.089 119.456 120.500 0.074 0.000 2.159 1073 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 1073 R C 1.915 178.267 176.300 0.087 0.000 1.131 1073 R CA 1.419 57.557 56.100 0.062 0.000 0.982 1073 R CB -0.307 30.025 30.300 0.054 0.000 0.868 1073 R HN 0.426 nan 8.270 nan 0.000 0.453 1074 Y N 0.850 121.140 120.300 -0.016 0.000 2.176 1074 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 1074 Y C 2.377 178.261 175.900 -0.028 0.000 1.122 1074 Y CA 1.789 59.875 58.100 -0.024 0.000 1.128 1074 Y CB -0.437 38.010 38.460 -0.022 0.000 1.005 1074 Y HN 0.067 nan 8.280 nan 0.000 0.509 1075 Q N 0.174 119.959 119.800 -0.026 0.000 2.197 1075 Q HA -0.241 4.099 4.340 -0.000 0.000 0.207 1075 Q C 1.472 177.391 176.000 -0.135 0.000 0.984 1075 Q CA 2.065 57.779 55.803 -0.149 0.000 0.869 1075 Q CB -0.192 28.520 28.738 -0.044 0.000 0.906 1075 Q HN 0.577 nan 8.270 nan 0.000 0.426 1076 D N 0.443 120.807 120.400 -0.060 0.000 2.117 1076 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 1076 D C 2.001 178.258 176.300 -0.072 0.000 0.982 1076 D CA 0.953 54.938 54.000 -0.024 0.000 0.828 1076 D CB -0.156 40.637 40.800 -0.011 0.000 0.967 1076 D HN 0.311 nan 8.370 nan 0.000 0.464 1077 L N 0.623 121.770 121.223 -0.126 0.000 2.017 1077 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1077 L C 2.449 179.206 176.870 -0.187 0.000 1.073 1077 L CA 1.414 56.163 54.840 -0.153 0.000 0.745 1077 L CB -0.220 41.749 42.059 -0.150 0.000 0.894 1077 L HN 0.024 nan 8.230 nan 0.000 0.432 1078 C N -0.393 118.728 119.300 -0.298 0.000 2.413 1078 C HA -0.248 4.212 4.460 -0.000 0.000 0.276 1078 C C 2.623 177.579 174.990 -0.055 0.000 1.236 1078 C CA 1.307 60.172 59.018 -0.254 0.000 1.735 1078 C CB -1.473 26.029 27.740 -0.396 0.000 2.031 1078 C HN 0.728 nan 8.230 nan 0.000 0.474 1079 H N 1.259 120.227 119.070 -0.170 0.000 2.265 1079 H HA -0.189 4.367 4.556 -0.000 0.000 0.293 1079 H C 2.069 177.399 175.328 0.004 0.000 1.089 1079 H CA 2.052 58.045 56.048 -0.091 0.000 1.244 1079 H CB -0.169 29.534 29.762 -0.098 0.000 1.355 1079 H HN 0.472 nan 8.280 nan 0.000 0.485 1080 N N 0.535 119.203 118.700 -0.053 0.000 2.025 1080 N HA -0.163 4.577 4.740 -0.000 0.000 0.194 1080 N C 2.225 177.770 175.510 0.058 0.000 1.044 1080 N CA 1.401 54.395 53.050 -0.093 0.000 0.851 1080 N CB -0.793 37.623 38.487 -0.117 0.000 1.036 1080 N HN 0.213 nan 8.380 nan 0.000 0.422 1081 V N 1.264 121.186 119.914 0.013 0.000 2.231 1081 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 1081 V C 2.144 178.324 176.094 0.144 0.000 1.058 1081 V CA 1.837 64.138 62.300 0.002 0.000 1.022 1081 V CB -0.833 30.859 31.823 -0.219 0.000 0.640 1081 V HN 0.311 nan 8.190 nan 0.000 0.445 1082 Y N -0.178 120.142 120.300 0.034 0.000 2.241 1082 Y HA -0.326 4.224 4.550 -0.000 0.000 0.286 1082 Y C 2.427 178.399 175.900 0.120 0.000 1.166 1082 Y CA 2.063 60.207 58.100 0.073 0.000 1.203 1082 Y CB -0.310 38.181 38.460 0.051 0.000 0.977 1082 Y HN 0.317 nan 8.280 nan 0.000 0.529 1083 C N -0.183 119.294 119.300 0.296 0.000 2.492 1083 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 1083 C C 2.438 177.503 174.990 0.125 0.000 1.335 1083 C CA 0.851 60.000 59.018 0.217 0.000 1.734 1083 C CB -0.856 27.023 27.740 0.232 0.000 2.027 1083 C HN 0.590 nan 8.230 nan 0.000 0.496 1084 Q N 1.056 120.958 119.800 0.171 0.000 2.230 1084 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 1084 Q C 2.381 178.471 176.000 0.150 0.000 0.963 1084 Q CA 1.429 57.336 55.803 0.173 0.000 0.866 1084 Q CB -0.208 28.744 28.738 0.356 0.000 0.931 1084 Q HN 0.733 nan 8.270 nan 0.000 0.452 1085 A N 1.434 124.379 122.820 0.209 0.000 1.854 1085 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 1085 A C 1.915 179.489 177.584 -0.017 0.000 1.192 1085 A CA 0.948 53.068 52.037 0.140 0.000 0.611 1085 A CB -0.254 18.804 19.000 0.097 0.000 0.832 1085 A HN 0.117 nan 8.150 nan 0.000 0.442 1086 E N -0.016 120.119 120.200 -0.108 0.000 2.273 1086 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 1086 E C 1.963 178.560 176.600 -0.006 0.000 1.002 1086 E CA 1.579 57.919 56.400 -0.101 0.000 0.828 1086 E CB -0.642 28.991 29.700 -0.112 0.000 0.747 1086 E HN 0.625 nan 8.360 nan 0.000 0.491 1087 T N 0.964 115.540 114.554 0.037 0.000 2.732 1087 T HA -0.007 4.343 4.350 -0.000 0.000 0.261 1087 T C 2.097 176.839 174.700 0.069 0.000 1.040 1087 T CA 0.629 62.795 62.100 0.111 0.000 1.145 1087 T CB -0.107 68.796 68.868 0.059 0.000 0.866 1087 T HN 0.131 nan 8.240 nan 0.000 0.427 1088 I N 0.720 121.278 120.570 -0.021 0.000 2.286 1088 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 1088 I C 2.854 178.983 176.117 0.020 0.000 1.115 1088 I CA 1.232 62.514 61.300 -0.030 0.000 1.392 1088 I CB -0.312 37.620 38.000 -0.114 0.000 1.065 1088 I HN 0.131 nan 8.210 nan 0.000 0.418 1089 R N 0.115 120.614 120.500 -0.002 0.000 2.075 1089 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 1089 R C 2.270 178.544 176.300 -0.042 0.000 1.126 1089 R CA 1.789 57.881 56.100 -0.013 0.000 0.963 1089 R CB -0.642 29.639 30.300 -0.032 0.000 0.858 1089 R HN 0.347 nan 8.270 nan 0.000 0.435 1090 T N 0.929 115.436 114.554 -0.077 0.000 2.833 1090 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 1090 T C 1.973 176.584 174.700 -0.149 0.000 1.054 1090 T CA 0.998 62.974 62.100 -0.207 0.000 1.135 1090 T CB -0.080 68.505 68.868 -0.472 0.000 0.869 1090 T HN -0.001 nan 8.240 nan 0.000 0.466 1091 V N 1.061 120.977 119.914 0.002 0.000 2.427 1091 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 1091 V C 2.241 178.362 176.094 0.046 0.000 1.051 1091 V CA 1.368 63.715 62.300 0.080 0.000 1.048 1091 V CB -0.494 31.413 31.823 0.139 0.000 0.666 1091 V HN 0.499 nan 8.190 nan 0.000 0.456 1092 I N 0.122 120.707 120.570 0.026 0.000 2.270 1092 I HA -0.050 4.120 4.170 -0.000 0.000 0.239 1092 I C 2.730 178.826 176.117 -0.034 0.000 1.080 1092 I CA 1.067 62.371 61.300 0.006 0.000 1.383 1092 I CB -0.753 37.252 38.000 0.007 0.000 1.097 1092 I HN 0.224 nan 8.210 nan 0.000 0.420 1093 A N 1.934 124.725 122.820 -0.049 0.000 1.971 1093 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 1093 A C 2.202 179.755 177.584 -0.052 0.000 1.182 1093 A CA 2.352 54.354 52.037 -0.058 0.000 0.649 1093 A CB -1.246 17.718 19.000 -0.060 0.000 0.818 1093 A HN 0.672 nan 8.150 nan 0.000 0.458 1094 I N -4.775 115.762 120.570 -0.055 0.000 3.564 1094 I HA 0.098 4.268 4.170 -0.000 0.000 0.294 1094 I C 1.332 177.438 176.117 -0.019 0.000 1.289 1094 I CA 0.648 61.923 61.300 -0.041 0.000 1.325 1094 I CB -0.058 37.911 38.000 -0.052 0.000 1.039 1094 I HN 0.086 nan 8.210 nan 0.000 0.474 1095 R N 1.196 121.685 120.500 -0.019 0.000 2.652 1095 R HA 0.485 4.825 4.340 -0.000 0.000 0.372 1095 R C -0.236 176.049 176.300 -0.026 0.000 1.104 1095 R CA -0.265 55.827 56.100 -0.012 0.000 1.072 1095 R CB 0.610 30.910 30.300 0.001 0.000 1.367 1095 R HN 0.321 nan 8.270 nan 0.000 0.577 1096 I N 3.984 124.534 120.570 -0.033 0.000 2.312 1096 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 1096 I C -1.439 174.677 176.117 -0.001 0.000 1.031 1096 I CA -1.908 59.370 61.300 -0.037 0.000 1.293 1096 I CB 0.946 38.916 38.000 -0.050 0.000 1.403 1096 I HN -0.082 nan 8.210 nan 0.000 0.484 1097 P HA -0.000 nan 4.420 nan 0.000 0.274 1097 P C -0.238 177.087 177.300 0.041 0.000 1.264 1097 P CA -0.424 62.686 63.100 0.015 0.000 0.795 1097 P CB 0.563 32.265 31.700 0.003 0.000 1.064 1098 E N -0.011 120.209 120.200 0.033 0.000 2.529 1098 E HA -0.151 4.199 4.350 -0.000 0.000 0.259 1098 E C -0.125 176.518 176.600 0.073 0.000 0.966 1098 E CA -0.010 56.420 56.400 0.050 0.000 0.937 1098 E CB -0.022 29.692 29.700 0.024 0.000 0.923 1098 E HN 0.381 nan 8.360 nan 0.000 0.468 1099 H N 4.610 123.689 119.070 0.015 0.000 3.082 1099 H HA 0.122 4.678 4.556 -0.000 0.000 0.275 1099 H C -0.719 174.616 175.328 0.012 0.000 1.032 1099 H CA 0.654 56.714 56.048 0.020 0.000 1.477 1099 H CB 0.192 29.966 29.762 0.020 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.149 123.312 120.400 -0.396 0.000 2.378 1100 K HA 0.235 4.555 4.320 -0.000 0.000 0.244 1100 K C 0.181 176.558 176.600 -0.372 0.000 1.039 1100 K CA -0.959 55.143 56.287 -0.307 0.000 0.863 1100 K CB 1.444 33.860 32.500 -0.140 0.000 1.326 1100 K HN 0.540 nan 8.250 nan 0.000 0.460 1101 E N 1.427 121.501 120.200 -0.210 0.000 2.548 1101 E HA 0.048 4.398 4.350 -0.000 0.000 0.206 1101 E C -0.715 175.831 176.600 -0.089 0.000 1.005 1101 E CA 0.247 56.559 56.400 -0.145 0.000 0.951 1101 E CB 0.722 30.366 29.700 -0.094 0.000 1.035 1101 E HN 0.577 nan 8.360 nan 0.000 0.470 1102 E N -0.557 119.591 120.200 -0.086 0.000 2.433 1102 E HA 0.312 4.662 4.350 -0.000 0.000 0.278 1102 E C -0.689 175.879 176.600 -0.052 0.000 0.976 1102 E CA -0.813 55.553 56.400 -0.057 0.000 0.793 1102 E CB 1.040 30.711 29.700 -0.048 0.000 1.311 1102 E HN -0.253 nan 8.360 nan 0.000 0.460 1103 D N 0.495 120.871 120.400 -0.039 0.000 2.723 1103 D HA -0.146 4.494 4.640 -0.000 0.000 0.236 1103 D C -0.693 175.589 176.300 -0.030 0.000 1.138 1103 D CA 0.574 54.554 54.000 -0.035 0.000 0.676 1103 D CB -1.311 39.466 40.800 -0.038 0.000 1.069 1103 D HN 0.571 nan 8.370 nan 0.000 0.430 1104 N N 0.250 118.936 118.700 -0.023 0.000 2.321 1104 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 1104 N C 1.801 177.313 175.510 0.002 0.000 1.141 1104 N CA -0.280 52.766 53.050 -0.006 0.000 0.864 1104 N CB 0.217 38.704 38.487 0.000 0.000 1.100 1104 N HN 0.414 nan 8.380 nan 0.000 0.510 1105 L N -0.275 120.942 121.223 -0.011 0.000 2.093 1105 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 1105 L C 2.347 179.208 176.870 -0.015 0.000 1.085 1105 L CA 1.388 56.221 54.840 -0.013 0.000 0.755 1105 L CB -0.378 41.668 42.059 -0.022 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.720 108.066 108.800 -0.023 0.000 2.396 1106 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G C 1.580 176.470 174.900 -0.017 0.000 1.166 1106 G CA 0.558 45.637 45.100 -0.035 0.000 0.793 1106 G HN 0.148 nan 8.290 nan 0.000 0.533 1107 V N 1.927 121.843 119.914 0.004 0.000 2.380 1107 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1107 V C 3.332 179.484 176.094 0.097 0.000 1.063 1107 V CA 2.069 64.391 62.300 0.037 0.000 1.055 1107 V CB -1.003 30.872 31.823 0.087 0.000 0.657 1107 V HN 0.463 nan 8.190 nan 0.000 0.455 1108 A N -0.152 122.722 122.820 0.090 0.000 1.883 1108 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 1108 A C 2.416 180.048 177.584 0.079 0.000 1.186 1108 A CA 2.216 54.314 52.037 0.102 0.000 0.624 1108 A CB -0.755 18.276 19.000 0.052 0.000 0.822 1108 A HN 0.350 nan 8.150 nan 0.000 0.444 1109 V N 0.153 120.084 119.914 0.029 0.000 2.332 1109 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 1109 V C 2.681 178.779 176.094 0.006 0.000 1.055 1109 V CA 2.312 64.617 62.300 0.008 0.000 1.038 1109 V CB -0.999 30.807 31.823 -0.029 0.000 0.651 1109 V HN 0.652 nan 8.190 nan 0.000 0.450 1110 Q N -0.926 118.858 119.800 -0.026 0.000 2.002 1110 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 1110 Q C 2.335 178.291 176.000 -0.074 0.000 0.988 1110 Q CA 1.890 57.646 55.803 -0.078 0.000 0.843 1110 Q CB -0.399 28.240 28.738 -0.164 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.072 119.155 119.070 0.022 0.000 2.387 1111 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 1111 H C 2.091 177.437 175.328 0.030 0.000 1.099 1111 H CA 1.425 57.489 56.048 0.026 0.000 1.315 1111 H CB -0.178 29.599 29.762 0.025 0.000 1.380 1111 H HN 0.347 nan 8.280 nan 0.000 0.513 1112 A N 0.579 123.482 122.820 0.137 0.000 1.858 1112 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 1112 A C 2.887 180.520 177.584 0.081 0.000 1.190 1112 A CA 1.851 53.944 52.037 0.093 0.000 0.617 1112 A CB -0.953 18.088 19.000 0.067 0.000 0.827 1112 A HN 0.217 nan 8.150 nan 0.000 0.443 1113 V N 0.190 120.146 119.914 0.069 0.000 2.343 1113 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 1113 V C 2.566 178.710 176.094 0.084 0.000 1.051 1113 V CA 1.865 64.213 62.300 0.081 0.000 1.036 1113 V CB -0.770 31.102 31.823 0.081 0.000 0.654 1113 V HN 0.558 nan 8.190 nan 0.000 0.451 1114 L N -0.167 121.096 121.223 0.067 0.000 2.081 1114 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 1114 L C 2.605 179.521 176.870 0.077 0.000 1.080 1114 L CA 2.071 56.948 54.840 0.062 0.000 0.754 1114 L CB -0.563 41.523 42.059 0.044 0.000 0.893 1114 L HN 0.361 nan 8.230 nan 0.000 0.433 1115 K N 0.647 121.100 120.400 0.088 0.000 2.057 1115 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 1115 K C 2.158 178.804 176.600 0.077 0.000 1.050 1115 K CA 1.330 57.666 56.287 0.082 0.000 0.935 1115 K CB -0.076 32.472 32.500 0.080 0.000 0.715 1115 K HN 0.259 nan 8.250 nan 0.000 0.439 1116 I N 0.819 121.438 120.570 0.081 0.000 2.361 1116 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 1116 I C 1.866 178.037 176.117 0.089 0.000 1.133 1116 I CA 1.107 62.457 61.300 0.084 0.000 1.413 1116 I CB 0.055 38.109 38.000 0.090 0.000 1.073 1116 I HN 0.259 nan 8.210 nan 0.000 0.424 1117 I N 0.853 121.480 120.570 0.095 0.000 2.252 1117 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1117 I C 1.934 178.093 176.117 0.071 0.000 1.102 1117 I CA 1.322 62.681 61.300 0.098 0.000 1.385 1117 I CB -0.514 37.542 38.000 0.092 0.000 1.064 1117 I HN 0.258 nan 8.210 nan 0.000 0.414 1118 D N 0.433 120.870 120.400 0.063 0.000 2.178 1118 D HA -0.216 4.424 4.640 -0.000 0.000 0.202 1118 D C 1.951 178.293 176.300 0.071 0.000 0.974 1118 D CA 1.016 55.051 54.000 0.059 0.000 0.841 1118 D CB -0.170 40.666 40.800 0.060 0.000 0.953 1118 D HN 0.434 nan 8.370 nan 0.000 0.478 1119 E N 0.182 120.426 120.200 0.073 0.000 2.150 1119 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1119 E C 2.089 178.737 176.600 0.081 0.000 0.985 1119 E CA 0.283 56.730 56.400 0.079 0.000 0.814 1119 E CB 0.081 29.828 29.700 0.078 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.252 122.515 121.223 0.067 0.000 2.023 1120 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 1120 L C 1.865 178.768 176.870 0.056 0.000 1.073 1120 L CA 1.825 56.690 54.840 0.041 0.000 0.745 1120 L CB -0.360 41.716 42.059 0.029 0.000 0.900 1120 L HN 0.026 nan 8.230 nan 0.000 0.435 1121 E N -0.270 119.972 120.200 0.070 0.000 2.160 1121 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 1121 E C 2.274 178.985 176.600 0.185 0.000 0.991 1121 E CA 1.576 58.050 56.400 0.124 0.000 0.810 1121 E CB -0.210 29.518 29.700 0.046 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.895 121.546 120.570 0.134 0.000 2.252 1122 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 1122 I C 2.216 178.403 176.117 0.117 0.000 1.102 1122 I CA 0.839 62.215 61.300 0.126 0.000 1.385 1122 I CB -0.072 37.988 38.000 0.100 0.000 1.064 1122 I HN 0.029 nan 8.210 nan 0.000 0.414 1123 K N 0.460 120.927 120.400 0.112 0.000 2.002 1123 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 1123 K C 2.155 178.814 176.600 0.099 0.000 1.048 1123 K CA 2.209 58.567 56.287 0.119 0.000 0.930 1123 K CB -1.186 31.399 32.500 0.141 0.000 0.714 1123 K HN 0.445 nan 8.250 nan 0.000 0.438 1124 T N 0.788 115.385 114.554 0.073 0.000 2.684 1124 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 1124 T C 2.045 176.760 174.700 0.025 0.000 1.036 1124 T CA 1.218 63.333 62.100 0.025 0.000 1.148 1124 T CB -0.555 68.331 68.868 0.030 0.000 0.863 1124 T HN 0.045 nan 8.240 nan 0.000 0.436 1125 L N 1.901 123.178 121.223 0.090 0.000 2.187 1125 L HA 0.235 4.575 4.340 -0.000 0.000 0.213 1125 L C 1.418 178.347 176.870 0.099 0.000 1.100 1125 L CA 1.601 56.476 54.840 0.058 0.000 0.765 1125 L CB -1.314 40.813 42.059 0.113 0.000 0.904 1125 L HN 0.924 nan 8.230 nan 0.000 0.437 1126 G N -2.151 106.712 108.800 0.105 0.000 2.741 1126 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G C 0.609 175.576 174.900 0.111 0.000 1.364 1126 G CA 0.352 45.523 45.100 0.118 0.000 0.866 1126 G HN 0.568 nan 8.290 nan 0.000 0.555 1127 S N -0.448 115.311 115.700 0.098 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.343 176.984 174.600 0.069 0.000 1.031 1127 S CA 1.766 60.008 58.200 0.071 0.000 0.984 1127 S CB -0.682 62.547 63.200 0.049 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.152 110.001 108.800 0.082 0.000 2.715 1128 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.221 1128 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.221 1128 G C -0.078 174.832 174.900 0.017 0.000 1.204 1128 G CA 0.119 45.239 45.100 0.033 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.557 119.638 120.200 -0.009 0.000 2.614 1129 E HA 0.215 4.565 4.350 -0.000 0.000 0.192 1129 E C -0.145 176.451 176.600 -0.007 0.000 0.930 1129 E CA 0.183 56.581 56.400 -0.003 0.000 1.346 1129 E CB 1.019 30.712 29.700 -0.011 0.000 1.252 1129 E HN 0.420 nan 8.360 nan 0.000 0.647 1130 K N 1.379 121.772 120.400 -0.011 0.000 2.443 1130 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 1130 K C -1.042 175.558 176.600 0.000 0.000 0.933 1130 K CA -0.376 55.906 56.287 -0.008 0.000 0.792 1130 K CB 1.690 34.180 32.500 -0.016 0.000 1.185 1130 K HN 0.055 nan 8.250 nan 0.000 0.425 1131 S N 1.352 117.054 115.700 0.004 0.000 2.688 1131 S HA 0.662 5.132 4.470 -0.000 0.000 0.275 1131 S C -0.295 174.311 174.600 0.011 0.000 1.175 1131 S CA -0.813 57.392 58.200 0.009 0.000 0.818 1131 S CB 0.725 63.933 63.200 0.013 0.000 1.157 1131 S HN 0.742 nan 8.310 nan 0.000 0.482 1132 G N 1.132 109.942 108.800 0.016 0.000 2.343 1132 G HA2 0.372 4.332 3.960 -0.000 0.000 0.254 1132 G HA3 0.372 4.332 3.960 -0.000 0.000 0.254 1132 G C 1.117 176.026 174.900 0.015 0.000 1.277 1132 G CA 0.082 45.193 45.100 0.018 0.000 0.909 1132 G HN 1.616 nan 8.290 nan 0.000 0.502 1133 S N 1.607 117.315 115.700 0.013 0.000 2.462 1133 S HA -0.226 4.244 4.470 -0.000 0.000 0.255 1133 S C 2.188 176.794 174.600 0.010 0.000 1.058 1133 S CA 1.653 59.860 58.200 0.010 0.000 1.019 1133 S CB -0.394 62.812 63.200 0.010 0.000 0.801 1133 S HN 0.984 nan 8.310 nan 0.000 0.491 1134 G N 0.410 109.218 108.800 0.013 0.000 2.813 1134 G HA2 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G HA3 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G C 0.945 175.849 174.900 0.007 0.000 1.150 1134 G CA 0.143 45.250 45.100 0.011 0.000 0.785 1134 G HN 1.319 nan 8.290 nan 0.000 0.535 1135 G N -0.468 108.337 108.800 0.008 0.000 2.488 1135 G HA2 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G HA3 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G C 0.485 175.390 174.900 0.008 0.000 1.209 1135 G CA 0.346 45.449 45.100 0.006 0.000 0.929 1135 G HN 1.380 nan 8.290 nan 0.000 0.578 1136 A N 0.534 123.355 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.518 177.059 177.584 -0.012 0.000 0.964 1136 A CA 0.829 52.867 52.037 0.002 0.000 1.045 1136 A CB 0.550 19.552 19.000 0.004 0.000 1.174 1136 A HN 0.671 nan 8.150 nan 0.000 0.493 1137 P HA -0.061 nan 4.420 nan 0.000 0.234 1137 P C 0.652 177.920 177.300 -0.052 0.000 1.167 1137 P CA 0.998 64.076 63.100 -0.037 0.000 0.763 1137 P CB -0.254 31.425 31.700 -0.035 0.000 0.835 1138 T N 0.895 115.432 114.554 -0.028 0.000 2.779 1138 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 1138 T C -1.654 173.033 174.700 -0.022 0.000 0.938 1138 T CA -1.706 60.383 62.100 -0.019 0.000 1.119 1138 T CB 0.353 69.238 68.868 0.028 0.000 0.891 1138 T HN -0.117 nan 8.240 nan 0.000 0.526 1139 P HA -0.085 nan 4.420 nan 0.000 0.224 1139 P C 0.107 177.377 177.300 -0.050 0.000 0.880 1139 P CA 0.862 63.929 63.100 -0.055 0.000 1.070 1139 P CB 0.181 31.858 31.700 -0.039 0.000 0.652 1140 I N -2.260 118.298 120.570 -0.019 0.000 2.545 1140 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 1140 I C 0.637 176.834 176.117 0.133 0.000 1.040 1140 I CA -1.016 60.286 61.300 0.003 0.000 1.068 1140 I CB 1.789 39.728 38.000 -0.103 0.000 1.251 1140 I HN 0.119 nan 8.210 nan 0.000 0.424 1141 G N 5.337 114.227 108.800 0.150 0.000 2.527 1141 G HA2 0.067 4.027 3.960 -0.000 0.000 0.279 1141 G HA3 0.067 4.027 3.960 -0.000 0.000 0.279 1141 G C 0.481 175.493 174.900 0.185 0.000 1.374 1141 G CA -0.145 45.065 45.100 0.183 0.000 1.053 1141 G HN 0.803 nan 8.290 nan 0.000 0.539 1142 M N -1.792 117.813 119.600 0.008 0.000 2.453 1142 M HA 0.434 4.914 4.480 -0.000 0.000 0.239 1142 M C -0.161 175.930 176.300 -0.348 0.000 1.151 1142 M CA 0.322 55.497 55.300 -0.208 0.000 0.989 1142 M CB 0.362 32.716 32.600 -0.410 0.000 1.548 1142 M HN 0.336 nan 8.290 nan 0.000 0.479 1143 Y N 0.351 120.707 120.300 0.093 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.872 177.867 175.900 0.157 0.000 1.110 1143 Y CA -0.331 57.824 58.100 0.092 0.000 1.251 1143 Y CB -0.067 38.427 38.460 0.057 0.000 1.178 1143 Y HN 0.425 nan 8.280 nan 0.000 0.540 1144 A N 0.036 123.022 122.820 0.277 0.000 1.883 1144 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1144 A C 2.077 179.867 177.584 0.344 0.000 1.186 1144 A CA 1.584 53.822 52.037 0.335 0.000 0.624 1144 A CB -0.588 18.581 19.000 0.281 0.000 0.822 1144 A HN 0.477 nan 8.150 nan 0.000 0.444 1145 L N -0.348 121.026 121.223 0.251 0.000 1.997 1145 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 1145 L C 2.569 179.568 176.870 0.215 0.000 1.074 1145 L CA 2.559 57.534 54.840 0.224 0.000 0.763 1145 L CB -0.762 41.392 42.059 0.158 0.000 0.890 1145 L HN 0.509 nan 8.230 nan 0.000 0.434 1146 R N 0.063 120.687 120.500 0.207 0.000 2.080 1146 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 1146 R C 2.164 178.551 176.300 0.145 0.000 1.137 1146 R CA 2.017 58.214 56.100 0.161 0.000 0.943 1146 R CB -0.506 29.903 30.300 0.182 0.000 0.846 1146 R HN 0.526 nan 8.270 nan 0.000 0.431 1147 E N -1.213 119.122 120.200 0.226 0.000 2.110 1147 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1147 E C 1.687 178.389 176.600 0.170 0.000 0.988 1147 E CA 1.245 57.793 56.400 0.247 0.000 0.804 1147 E CB -0.321 29.608 29.700 0.383 0.000 0.745 1147 E HN 0.375 nan 8.360 nan 0.000 0.458 1148 Y N 1.578 121.827 120.300 -0.086 0.000 2.089 1148 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 1148 Y C 1.907 177.586 175.900 -0.367 0.000 1.139 1148 Y CA 1.400 59.112 58.100 -0.647 0.000 1.123 1148 Y CB -0.441 37.703 38.460 -0.527 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.756 120.277 121.223 -0.316 0.000 2.079 1149 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 1149 L C 2.771 179.493 176.870 -0.246 0.000 1.081 1149 L CA 1.698 56.326 54.840 -0.353 0.000 0.752 1149 L CB -0.849 41.125 42.059 -0.141 0.000 0.896 1149 L HN 0.252 nan 8.230 nan 0.000 0.433 1150 S N -0.465 115.153 115.700 -0.137 0.000 2.402 1150 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 1150 S C 2.058 176.600 174.600 -0.097 0.000 1.021 1150 S CA 1.071 59.222 58.200 -0.082 0.000 0.974 1150 S CB 0.045 63.235 63.200 -0.016 0.000 0.800 1150 S HN 0.436 nan 8.310 nan 0.000 0.484 1151 A N 1.486 124.225 122.820 -0.136 0.000 1.872 1151 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 1151 A C 2.203 179.691 177.584 -0.160 0.000 1.187 1151 A CA 1.213 53.187 52.037 -0.105 0.000 0.614 1151 A CB -0.655 18.304 19.000 -0.069 0.000 0.826 1151 A HN 0.550 nan 8.150 nan 0.000 0.442 1152 R N -0.408 119.907 120.500 -0.309 0.000 2.075 1152 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 1152 R C 2.552 178.740 176.300 -0.187 0.000 1.126 1152 R CA 1.571 57.498 56.100 -0.288 0.000 0.963 1152 R CB -0.316 29.677 30.300 -0.512 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.535 115.052 115.700 -0.188 0.000 2.365 1153 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1153 S C 1.718 176.271 174.600 -0.079 0.000 1.039 1153 S CA 2.150 60.278 58.200 -0.120 0.000 1.033 1153 S CB -0.382 62.755 63.200 -0.106 0.000 0.887 1153 S HN 0.483 nan 8.310 nan 0.000 0.447 1154 T N 1.246 115.758 114.554 -0.071 0.000 2.833 1154 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 1154 T C 1.723 176.400 174.700 -0.038 0.000 1.054 1154 T CA 1.450 63.524 62.100 -0.044 0.000 1.135 1154 T CB -0.265 68.584 68.868 -0.033 0.000 0.869 1154 T HN 0.321 nan 8.240 nan 0.000 0.466 1155 V N 1.066 120.951 119.914 -0.047 0.000 2.788 1155 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 1155 V C 2.188 178.264 176.094 -0.030 0.000 1.068 1155 V CA 1.030 63.309 62.300 -0.035 0.000 1.090 1155 V CB -0.406 31.396 31.823 -0.036 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.101 120.074 120.200 -0.042 0.000 2.418 1156 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 1156 E C 1.487 178.072 176.600 -0.026 0.000 1.026 1156 E CA 0.710 57.090 56.400 -0.033 0.000 0.862 1156 E CB 0.035 29.706 29.700 -0.047 0.000 0.799 1156 E HN 0.577 nan 8.360 nan 0.000 0.518 1157 D N 0.460 120.844 120.400 -0.027 0.000 2.216 1157 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 1157 D C 1.560 177.851 176.300 -0.015 0.000 0.960 1157 D CA 0.675 54.663 54.000 -0.021 0.000 0.861 1157 D CB 0.284 41.071 40.800 -0.022 0.000 0.985 1157 D HN 0.067 nan 8.370 nan 0.000 0.493 1158 K N 0.409 120.800 120.400 -0.014 0.000 2.103 1158 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 1158 K C 2.214 178.810 176.600 -0.006 0.000 1.052 1158 K CA 0.431 56.713 56.287 -0.010 0.000 0.945 1158 K CB 0.206 32.700 32.500 -0.009 0.000 0.722 1158 K HN 0.086 nan 8.250 nan 0.000 0.443 1159 L N 0.892 122.111 121.223 -0.006 0.000 2.240 1159 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 1159 L C 0.476 177.345 176.870 -0.001 0.000 1.106 1159 L CA 0.480 55.320 54.840 -0.000 0.000 0.793 1159 L CB 0.077 42.139 42.059 0.006 0.000 0.927 1159 L HN 0.111 nan 8.230 nan 0.000 0.446 1160 L N -0.417 120.803 121.223 -0.006 0.000 2.277 1160 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 1160 L C 0.432 177.298 176.870 -0.007 0.000 1.028 1160 L CA -0.201 54.635 54.840 -0.007 0.000 0.835 1160 L CB 1.133 43.186 42.059 -0.011 0.000 1.215 1160 L HN -0.074 nan 8.230 nan 0.000 0.425 1161 G N 2.287 111.083 108.800 -0.006 0.000 5.284 1161 G HA2 0.214 4.174 3.960 -0.000 0.000 0.236 1161 G HA3 0.214 4.174 3.960 -0.000 0.000 0.236 1161 G C -0.000 174.896 174.900 -0.006 0.000 0.870 1161 G CA -0.243 44.853 45.100 -0.007 0.000 0.724 1161 G HN 0.279 nan 8.290 nan 0.000 0.336 1162 V N 1.195 121.106 119.914 -0.006 0.000 2.931 1162 V HA 0.126 4.246 4.120 -0.000 0.000 0.290 1162 V C -0.004 176.087 176.094 -0.005 0.000 1.315 1162 V CA 0.760 63.057 62.300 -0.005 0.000 1.393 1162 V CB 0.437 32.256 31.823 -0.006 0.000 0.887 1162 V HN 0.406 nan 8.190 nan 0.000 0.520 1163 D N 0.326 120.724 120.400 -0.004 0.000 2.653 1163 D HA 0.663 5.303 4.640 -0.000 0.000 0.258 1163 D C -0.483 175.815 176.300 -0.004 0.000 1.252 1163 D CA -0.052 53.945 54.000 -0.004 0.000 0.777 1163 D CB 1.811 42.608 40.800 -0.004 0.000 1.339 1163 D HN 0.848 nan 8.370 nan 0.000 0.422 1164 A N 0.441 123.258 122.820 -0.004 0.000 2.312 1164 A HA 0.775 5.095 4.320 -0.000 0.000 0.328 1164 A C -0.687 176.895 177.584 -0.003 0.000 1.158 1164 A CA -0.275 51.760 52.037 -0.003 0.000 0.821 1164 A CB 0.792 19.790 19.000 -0.004 0.000 1.170 1164 A HN 0.450 nan 8.150 nan 0.000 0.490 1165 E N 0.704 120.902 120.200 -0.003 0.000 2.506 1165 E HA 0.404 4.754 4.350 -0.000 0.000 0.308 1165 E C -0.586 176.013 176.600 -0.002 0.000 0.931 1165 E CA -0.259 56.140 56.400 -0.002 0.000 0.800 1165 E CB 1.527 31.226 29.700 -0.002 0.000 1.292 1165 E HN 0.687 nan 8.360 nan 0.000 0.401 1166 S N 1.052 116.751 115.700 -0.002 0.000 3.091 1166 S HA -0.222 4.248 4.470 -0.000 0.000 0.275 1166 S C 0.947 175.546 174.600 -0.002 0.000 1.306 1166 S CA 1.521 59.720 58.200 -0.002 0.000 1.083 1166 S CB -1.180 62.019 63.200 -0.002 0.000 1.313 1166 S HN 1.228 nan 8.310 nan 0.000 0.673 1167 G N 0.166 108.965 108.800 -0.002 0.000 2.493 1167 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 1167 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 1167 G C -0.202 174.697 174.900 -0.002 0.000 1.109 1167 G CA 0.242 45.341 45.100 -0.002 0.000 0.689 1167 G HN 0.620 nan 8.290 nan 0.000 0.516 1168 K N 0.684 121.082 120.400 -0.002 0.000 2.281 1168 K HA 0.668 4.988 4.320 -0.000 0.000 0.242 1168 K C -0.914 175.685 176.600 -0.002 0.000 0.971 1168 K CA -0.480 55.806 56.287 -0.002 0.000 0.834 1168 K CB 1.915 34.414 32.500 -0.002 0.000 1.181 1168 K HN 0.116 nan 8.250 nan 0.000 0.435 1169 T N 1.870 116.422 114.554 -0.003 0.000 2.824 1169 T HA 0.371 4.721 4.350 -0.000 0.000 0.280 1169 T C -0.483 174.215 174.700 -0.002 0.000 0.995 1169 T CA -0.718 61.381 62.100 -0.003 0.000 1.009 1169 T CB 1.059 69.925 68.868 -0.003 0.000 0.955 1169 T HN 0.317 nan 8.240 nan 0.000 0.452 1170 K N 0.685 121.084 120.400 -0.002 0.000 2.444 1170 K HA 0.745 5.065 4.320 -0.000 0.000 0.252 1170 K C -0.278 176.321 176.600 -0.002 0.000 0.993 1170 K CA -1.074 55.212 56.287 -0.002 0.000 0.847 1170 K CB 2.581 35.080 32.500 -0.001 0.000 1.340 1170 K HN 0.722 nan 8.250 nan 0.000 0.446 1171 G N -1.193 107.606 108.800 -0.001 0.000 2.569 1171 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 1171 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 1171 G C -0.474 174.426 174.900 -0.001 0.000 1.269 1171 G CA -0.801 44.298 45.100 -0.002 0.000 0.959 1171 G HN 0.583 nan 8.290 nan 0.000 0.478 1172 G N -0.700 108.099 108.800 -0.002 0.000 4.543 1172 G HA2 0.530 4.490 3.960 -0.000 0.000 0.286 1172 G HA3 0.530 4.490 3.960 -0.000 0.000 0.286 1172 G C 0.423 175.322 174.900 -0.002 0.000 1.112 1172 G CA 0.377 45.476 45.100 -0.002 0.000 0.870 1172 G HN 0.898 nan 8.290 nan 0.000 0.540 1173 G N 0.233 109.033 108.800 -0.001 0.000 2.476 1173 G HA2 0.427 4.387 3.960 -0.000 0.000 0.286 1173 G HA3 0.427 4.387 3.960 -0.000 0.000 0.286 1173 G C 0.543 175.443 174.900 -0.000 0.000 1.177 1173 G CA 0.226 45.325 45.100 -0.001 0.000 0.870 1173 G HN 0.538 nan 8.290 nan 0.000 0.528 1174 S N -0.134 115.566 115.700 -0.001 0.000 2.542 1174 S HA -0.043 4.427 4.470 -0.000 0.000 0.287 1174 S C 1.271 175.871 174.600 0.001 0.000 1.315 1174 S CA 0.346 58.545 58.200 -0.001 0.000 1.037 1174 S CB 0.675 63.873 63.200 -0.002 0.000 0.822 1174 S HN 0.597 nan 8.310 nan 0.000 0.513 1175 Q N 2.109 121.910 119.800 0.001 0.000 2.141 1175 Q HA 0.127 4.467 4.340 -0.000 0.000 0.194 1175 Q C 0.997 176.998 176.000 0.003 0.000 0.975 1175 Q CA 0.689 56.493 55.803 0.002 0.000 0.834 1175 Q CB -1.265 27.474 28.738 0.002 0.000 0.916 1175 Q HN 0.894 nan 8.270 nan 0.000 0.484 1176 S N 3.753 119.454 115.700 0.001 0.000 4.667 1176 S HA -0.106 4.364 4.470 -0.000 0.000 0.551 1176 S C -1.406 173.195 174.600 0.002 0.000 0.855 1176 S CA -0.295 57.905 58.200 0.001 0.000 1.181 1176 S CB 0.328 63.527 63.200 -0.001 0.000 1.890 1176 S HN 0.126 nan 8.310 nan 0.000 0.374 1177 P HA -0.048 nan 4.420 nan 0.000 0.222 1177 P C 1.237 178.537 177.300 -0.000 0.000 1.147 1177 P CA 0.895 63.997 63.100 0.004 0.000 0.790 1177 P CB -0.041 31.662 31.700 0.004 0.000 0.780 1178 S N -0.036 115.662 115.700 -0.003 0.000 2.406 1178 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 1178 S C 1.823 176.416 174.600 -0.012 0.000 1.020 1178 S CA 0.461 58.656 58.200 -0.008 0.000 0.965 1178 S CB -0.961 62.235 63.200 -0.007 0.000 0.798 1178 S HN 0.077 nan 8.310 nan 0.000 0.488 1179 L N 1.480 122.699 121.223 -0.007 0.000 2.191 1179 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 1179 L C 1.890 178.754 176.870 -0.010 0.000 1.103 1179 L CA 1.204 56.039 54.840 -0.008 0.000 0.769 1179 L CB -0.453 41.603 42.059 -0.004 0.000 0.908 1179 L HN 0.269 nan 8.230 nan 0.000 0.438 1180 L N -1.228 119.993 121.223 -0.003 0.000 2.072 1180 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 1180 L C 2.143 178.996 176.870 -0.029 0.000 1.079 1180 L CA 1.617 56.462 54.840 0.008 0.000 0.752 1180 L CB -0.447 41.629 42.059 0.028 0.000 0.906 1180 L HN 0.235 nan 8.230 nan 0.000 0.436 1181 L N -0.573 120.624 121.223 -0.044 0.000 2.201 1181 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 1181 L C 2.468 179.267 176.870 -0.119 0.000 1.105 1181 L CA 1.230 56.017 54.840 -0.089 0.000 0.775 1181 L CB -0.442 41.584 42.059 -0.054 0.000 0.913 1181 L HN 0.435 nan 8.230 nan 0.000 0.440 1182 E N 0.451 120.606 120.200 -0.074 0.000 2.152 1182 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 1182 E C 2.161 178.712 176.600 -0.081 0.000 0.983 1182 E CA 0.621 56.985 56.400 -0.060 0.000 0.818 1182 E CB 0.115 29.799 29.700 -0.027 0.000 0.758 1182 E HN 0.314 nan 8.360 nan 0.000 0.467 1183 L N 1.132 122.298 121.223 -0.096 0.000 2.141 1183 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 1183 L C 2.348 179.072 176.870 -0.243 0.000 1.094 1183 L CA 1.578 56.364 54.840 -0.090 0.000 0.763 1183 L CB -0.279 41.778 42.059 -0.003 0.000 0.908 1183 L HN -0.016 nan 8.230 nan 0.000 0.437 1184 R N -1.309 118.892 120.500 -0.498 0.000 2.090 1184 R HA -0.161 4.179 4.340 -0.000 0.000 0.228 1184 R C 2.272 178.333 176.300 -0.398 0.000 1.110 1184 R CA 1.227 56.778 56.100 -0.915 0.000 0.973 1184 R CB -0.125 29.616 30.300 -0.932 0.000 0.869 1184 R HN 0.359 nan 8.270 nan 0.000 0.440 1185 Q N 0.740 120.414 119.800 -0.211 0.000 2.123 1185 Q HA 0.018 4.358 4.340 -0.000 0.000 0.199 1185 Q C 1.865 177.874 176.000 0.016 0.000 0.966 1185 Q CA 1.409 57.161 55.803 -0.084 0.000 0.845 1185 Q CB -0.038 28.674 28.738 -0.043 0.000 0.907 1185 Q HN 0.428 nan 8.270 nan 0.000 0.439 1186 I N 0.704 121.297 120.570 0.039 0.000 2.423 1186 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 1186 I C 1.109 177.372 176.117 0.243 0.000 1.151 1186 I CA 1.181 62.580 61.300 0.166 0.000 1.421 1186 I CB -0.221 37.826 38.000 0.077 0.000 1.079 1186 I HN 0.205 nan 8.210 nan 0.000 0.431 1187 D N 0.788 121.270 120.400 0.138 0.000 2.213 1187 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 1187 D C 2.245 178.593 176.300 0.080 0.000 0.961 1187 D CA 1.206 55.302 54.000 0.161 0.000 0.853 1187 D CB 0.099 40.995 40.800 0.161 0.000 0.967 1187 D HN 0.302 nan 8.370 nan 0.000 0.496 1188 A N 1.234 124.061 122.820 0.011 0.000 1.872 1188 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 1188 A C 1.846 179.505 177.584 0.125 0.000 1.187 1188 A CA 1.303 53.302 52.037 -0.063 0.000 0.614 1188 A CB -0.234 18.646 19.000 -0.199 0.000 0.826 1188 A HN -0.025 nan 8.150 nan 0.000 0.442 1189 D N -0.430 120.058 120.400 0.145 0.000 2.078 1189 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 1189 D C 1.450 177.807 176.300 0.095 0.000 0.990 1189 D CA 1.168 55.248 54.000 0.134 0.000 0.827 1189 D CB -0.590 40.283 40.800 0.122 0.000 0.975 1189 D HN 0.390 nan 8.370 nan 0.000 0.451 1190 F N 0.239 120.176 119.950 -0.022 0.000 2.529 1190 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 1190 F C 2.224 177.932 175.800 -0.155 0.000 1.114 1190 F CA 0.641 58.575 58.000 -0.110 0.000 1.467 1190 F CB -0.072 38.798 39.000 -0.215 0.000 1.096 1190 F HN -0.032 nan 8.300 nan 0.000 0.586 1191 M N -1.775 117.868 119.600 0.071 0.000 2.534 1191 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 1191 M C 2.061 178.368 176.300 0.011 0.000 1.152 1191 M CA 0.699 56.020 55.300 0.034 0.000 1.145 1191 M CB -0.774 31.887 32.600 0.102 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.844 122.092 121.223 0.042 0.000 2.131 1192 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 1192 L C 1.964 178.752 176.870 -0.136 0.000 1.087 1192 L CA 1.843 56.630 54.840 -0.089 0.000 0.767 1192 L CB -0.510 41.506 42.059 -0.072 0.000 0.917 1192 L HN 0.126 nan 8.230 nan 0.000 0.441 1193 K N -1.081 119.222 120.400 -0.163 0.000 2.280 1193 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.202 176.600 -0.263 0.000 1.047 1193 K CA 1.214 57.365 56.287 -0.226 0.000 0.942 1193 K CB -0.079 32.217 32.500 -0.341 0.000 0.739 1193 K HN 0.279 nan 8.250 nan 0.000 0.457 1194 V N 0.929 120.675 119.914 -0.280 0.000 2.878 1194 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 1194 V C 1.958 177.907 176.094 -0.242 0.000 1.075 1194 V CA 1.166 63.225 62.300 -0.401 0.000 1.096 1194 V CB -0.172 31.417 31.823 -0.390 0.000 0.724 1194 V HN 0.260 nan 8.190 nan 0.000 0.467 1195 E N 0.560 120.663 120.200 -0.162 0.000 2.015 1195 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 1195 E C 2.256 178.805 176.600 -0.085 0.000 0.991 1195 E CA 1.376 57.710 56.400 -0.111 0.000 0.802 1195 E CB -0.154 29.474 29.700 -0.120 0.000 0.759 1195 E HN 0.476 nan 8.360 nan 0.000 0.447 1196 L N 0.655 121.822 121.223 -0.094 0.000 1.970 1196 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 1196 L C 2.727 179.590 176.870 -0.011 0.000 1.071 1196 L CA 1.238 56.044 54.840 -0.056 0.000 0.751 1196 L CB -0.795 41.218 42.059 -0.076 0.000 0.889 1196 L HN 0.139 nan 8.230 nan 0.000 0.432 1197 A N 0.478 123.274 122.820 -0.040 0.000 1.958 1197 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 1197 A C 2.416 180.066 177.584 0.110 0.000 1.178 1197 A CA 2.734 54.796 52.037 0.042 0.000 0.642 1197 A CB -1.081 17.911 19.000 -0.014 0.000 0.816 1197 A HN 0.618 nan 8.150 nan 0.000 0.453 1198 T N -4.335 110.253 114.554 0.056 0.000 2.978 1198 T HA -0.046 4.304 4.350 -0.000 0.000 0.262 1198 T C 1.772 176.492 174.700 0.032 0.000 1.063 1198 T CA 1.658 63.803 62.100 0.075 0.000 1.140 1198 T CB -0.693 68.208 68.868 0.056 0.000 0.886 1198 T HN 0.312 nan 8.240 nan 0.000 0.470 1199 T N 1.120 115.690 114.554 0.027 0.000 2.708 1199 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 1199 T C 1.758 176.484 174.700 0.045 0.000 1.037 1199 T CA 1.795 63.909 62.100 0.023 0.000 1.146 1199 T CB -0.541 68.338 68.868 0.018 0.000 0.865 1199 T HN 0.685 nan 8.240 nan 0.000 0.435 1200 H N 0.670 119.731 119.070 -0.014 0.000 2.389 1200 H HA 0.103 4.659 4.556 -0.000 0.000 0.299 1200 H C 1.941 177.263 175.328 -0.011 0.000 1.081 1200 H CA 0.877 56.919 56.048 -0.009 0.000 1.345 1200 H CB -0.508 29.250 29.762 -0.006 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.011 121.179 121.223 -0.092 0.000 2.265 1201 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 1201 L C 2.066 178.827 176.870 -0.181 0.000 1.117 1201 L CA 1.342 56.085 54.840 -0.161 0.000 0.782 1201 L CB -0.623 41.408 42.059 -0.046 0.000 0.914 1201 L HN 0.237 nan 8.230 nan 0.000 0.441 1202 S N -1.341 114.285 115.700 -0.123 0.000 2.335 1202 S HA -0.149 4.321 4.470 -0.000 0.000 0.217 1202 S C 1.780 176.314 174.600 -0.109 0.000 1.032 1202 S CA 1.603 59.742 58.200 -0.100 0.000 0.985 1202 S CB -0.519 62.649 63.200 -0.053 0.000 0.896 1202 S HN 0.532 nan 8.310 nan 0.000 0.445 1203 T N 2.615 117.100 114.554 -0.115 0.000 2.624 1203 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 1203 T C 1.868 176.491 174.700 -0.129 0.000 1.041 1203 T CA 1.904 63.944 62.100 -0.100 0.000 1.159 1203 T CB -0.445 68.371 68.868 -0.087 0.000 0.863 1203 T HN 0.197 nan 8.240 nan 0.000 0.434 1204 M N 1.062 120.510 119.600 -0.253 0.000 2.082 1204 M HA -0.096 4.384 4.480 -0.000 0.000 0.258 1204 M C 2.185 178.423 176.300 -0.104 0.000 1.069 1204 M CA 1.462 56.639 55.300 -0.204 0.000 1.102 1204 M CB -0.788 31.630 32.600 -0.305 0.000 1.336 1204 M HN 0.105 nan 8.290 nan 0.000 0.404 1205 V N 0.248 120.074 119.914 -0.146 0.000 2.343 1205 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 1205 V C 2.412 178.529 176.094 0.038 0.000 1.051 1205 V CA 2.043 64.276 62.300 -0.113 0.000 1.036 1205 V CB -0.817 30.854 31.823 -0.254 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.049 120.555 120.500 0.009 0.000 2.096 1206 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 1206 R C 2.413 178.757 176.300 0.073 0.000 1.127 1206 R CA 1.426 57.556 56.100 0.049 0.000 0.968 1206 R CB -0.573 29.740 30.300 0.022 0.000 0.861 1206 R HN 0.556 nan 8.270 nan 0.000 0.440 1207 A N 0.868 123.720 122.820 0.053 0.000 1.855 1207 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 1207 A C 2.367 180.020 177.584 0.114 0.000 1.191 1207 A CA 1.412 53.491 52.037 0.070 0.000 0.613 1207 A CB -0.609 18.418 19.000 0.045 0.000 0.829 1207 A HN 0.106 nan 8.150 nan 0.000 0.442 1208 V N 0.525 120.524 119.914 0.141 0.000 2.469 1208 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 1208 V C 2.378 178.613 176.094 0.236 0.000 1.064 1208 V CA 1.959 64.383 62.300 0.206 0.000 1.066 1208 V CB -0.871 31.125 31.823 0.290 0.000 0.667 1208 V HN 0.551 nan 8.190 nan 0.000 0.461 1209 I N 0.722 121.428 120.570 0.227 0.000 2.202 1209 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 1209 I C 2.486 178.729 176.117 0.209 0.000 1.091 1209 I CA 2.174 63.596 61.300 0.204 0.000 1.368 1209 I CB -0.589 37.518 38.000 0.179 0.000 1.058 1209 I HN 0.422 nan 8.210 nan 0.000 0.410 1210 N N 1.502 120.301 118.700 0.165 0.000 2.058 1210 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 1210 N C 1.867 177.471 175.510 0.157 0.000 1.037 1210 N CA 1.948 55.084 53.050 0.144 0.000 0.848 1210 N CB -0.192 38.358 38.487 0.104 0.000 1.021 1210 N HN 0.296 nan 8.380 nan 0.000 0.422 1211 A N -0.900 122.012 122.820 0.154 0.000 1.948 1211 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 1211 A C 2.229 179.918 177.584 0.174 0.000 1.177 1211 A CA 1.591 53.713 52.037 0.141 0.000 0.636 1211 A CB -1.227 17.854 19.000 0.135 0.000 0.815 1211 A HN 0.661 nan 8.150 nan 0.000 0.449 1212 Y N 0.122 120.489 120.300 0.111 0.000 2.176 1212 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 1212 Y C 1.922 177.940 175.900 0.196 0.000 1.122 1212 Y CA 1.582 59.760 58.100 0.129 0.000 1.128 1212 Y CB -0.239 38.274 38.460 0.088 0.000 1.005 1212 Y HN 0.169 nan 8.280 nan 0.000 0.509 1213 L N 0.032 121.478 121.223 0.373 0.000 2.261 1213 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 1213 L C 2.047 179.097 176.870 0.299 0.000 1.114 1213 L CA 0.999 56.021 54.840 0.303 0.000 0.777 1213 L CB -0.468 41.744 42.059 0.255 0.000 0.910 1213 L HN 0.388 nan 8.230 nan 0.000 0.440 1214 L N -0.957 120.369 121.223 0.172 0.000 2.130 1214 L HA -0.024 4.316 4.340 -0.000 0.000 0.200 1214 L C 1.764 178.620 176.870 -0.023 0.000 1.075 1214 L CA 0.744 55.639 54.840 0.091 0.000 0.768 1214 L CB -0.337 41.756 42.059 0.057 0.000 0.933 1214 L HN 0.292 nan 8.230 nan 0.000 0.451 1215 N N 0.166 118.832 118.700 -0.057 0.000 2.398 1215 N HA -0.093 4.646 4.740 -0.000 0.000 0.188 1215 N C 1.643 177.000 175.510 -0.256 0.000 1.122 1215 N CA 0.355 53.314 53.050 -0.151 0.000 0.866 1215 N CB 0.079 38.516 38.487 -0.083 0.000 0.970 1215 N HN 0.564 nan 8.380 nan 0.000 0.462 1216 W N 2.436 123.504 121.300 -0.387 0.000 2.308 1216 W HA -0.153 4.507 4.660 0.000 0.000 0.301 1216 W C 1.066 177.421 176.519 -0.274 0.000 1.220 1216 W CA 0.530 57.566 57.345 -0.516 0.000 1.240 1216 W CB -0.794 28.215 29.460 -0.751 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.659 120.313 120.400 -1.244 0.000 2.032 1217 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 1217 K C 2.154 178.478 176.600 -0.460 0.000 1.048 1217 K CA 1.758 57.406 56.287 -1.064 0.000 0.927 1217 K CB -0.269 31.599 32.500 -1.055 0.000 0.712 1217 K HN -0.081 nan 8.250 nan 0.000 0.441 1218 K N 1.032 121.219 120.400 -0.355 0.000 2.211 1218 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 1218 K C 2.078 178.594 176.600 -0.139 0.000 1.050 1218 K CA 0.812 56.977 56.287 -0.203 0.000 0.945 1218 K CB -0.175 32.228 32.500 -0.162 0.000 0.732 1218 K HN 0.207 nan 8.250 nan 0.000 0.451 1219 L N 0.416 121.559 121.223 -0.134 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.096 178.950 176.870 -0.027 0.000 1.085 1219 L CA 0.778 55.580 54.840 -0.063 0.000 0.755 1219 L CB -0.306 41.727 42.059 -0.042 0.000 0.904 1219 L HN 0.066 nan 8.230 nan 0.000 0.435 1220 I N -1.239 119.319 120.570 -0.019 0.000 2.494 1220 I HA -0.052 4.118 4.170 -0.000 0.000 0.250 1220 I C 0.987 177.092 176.117 -0.020 0.000 1.112 1220 I CA 0.889 62.199 61.300 0.017 0.000 1.438 1220 I CB -0.431 37.616 38.000 0.078 0.000 1.111 1220 I HN 0.253 nan 8.210 nan 0.000 0.431 1221 Q N 2.066 121.827 119.800 -0.065 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.623 174.331 176.000 -0.076 0.000 1.120 1221 Q CA -1.658 54.105 55.803 -0.067 0.000 0.972 1221 Q CB 1.220 29.906 28.738 -0.086 0.000 1.173 1221 Q HN 0.264 nan 8.270 nan 0.000 0.522 1222 P HA -0.122 nan 4.420 nan 0.000 0.218 1222 P C -0.045 177.225 177.300 -0.049 0.000 1.149 1222 P CA 0.896 63.963 63.100 -0.054 0.000 0.817 1222 P CB 0.725 32.400 31.700 -0.042 0.000 0.785 1223 R N -0.378 120.096 120.500 -0.044 0.000 2.621 1223 R HA 0.424 4.764 4.340 -0.000 0.000 0.292 1223 R C -0.368 175.906 176.300 -0.043 0.000 0.969 1223 R CA -0.394 55.681 56.100 -0.041 0.000 0.887 1223 R CB 1.827 32.106 30.300 -0.034 0.000 1.180 1223 R HN -0.066 nan 8.270 nan 0.000 0.450 1224 T N -0.642 113.885 114.554 -0.045 0.000 2.963 1224 T HA 0.373 4.723 4.350 -0.000 0.000 0.343 1224 T C 0.584 175.257 174.700 -0.045 0.000 1.146 1224 T CA -0.834 61.241 62.100 -0.042 0.000 1.016 1224 T CB 1.187 70.032 68.868 -0.040 0.000 1.046 1224 T HN 0.656 nan 8.240 nan 0.000 0.496 1225 G N 1.980 110.752 108.800 -0.048 0.000 2.414 1225 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G C 0.117 174.958 174.900 -0.099 0.000 1.293 1225 G CA -0.248 44.812 45.100 -0.068 0.000 0.869 1225 G HN 1.663 nan 8.290 nan 0.000 0.556 1226 S N 0.376 115.967 115.700 -0.182 0.000 2.465 1226 S HA 0.141 4.611 4.470 -0.000 0.000 0.186 1226 S C -1.430 172.797 174.600 -0.622 0.000 0.839 1226 S CA -0.952 57.004 58.200 -0.407 0.000 1.037 1226 S CB 0.769 63.811 63.200 -0.263 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.813 122.937 120.400 -0.461 0.000 2.500 1227 D HA 0.339 4.979 4.640 -0.000 0.000 0.219 1227 D C 0.864 176.999 176.300 -0.275 0.000 1.137 1227 D CA -0.396 53.422 54.000 -0.302 0.000 0.946 1227 D CB 0.314 41.028 40.800 -0.144 0.000 1.022 1227 D HN 0.556 nan 8.370 nan 0.000 0.518 1228 H N 1.147 120.210 119.070 -0.012 0.000 2.582 1228 H HA 0.145 4.701 4.556 -0.000 0.000 0.269 1228 H C 1.527 176.849 175.328 -0.010 0.000 0.962 1228 H CA 0.487 56.528 56.048 -0.011 0.000 1.230 1228 H CB 0.330 30.085 29.762 -0.012 0.000 1.445 1228 H HN 0.353 nan 8.280 nan 0.000 0.528 1229 M N 0.611 120.254 119.600 0.071 0.000 2.134 1229 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 1229 M C 0.764 177.074 176.300 0.017 0.000 1.076 1229 M CA 0.611 55.935 55.300 0.040 0.000 1.143 1229 M CB 0.203 32.816 32.600 0.021 0.000 1.346 1229 M HN -0.179 nan 8.290 nan 0.000 0.421 1230 V N 1.521 121.433 119.914 -0.003 0.000 2.775 1230 V HA 0.328 4.448 4.120 -0.000 0.000 0.299 1230 V C 0.253 176.345 176.094 -0.002 0.000 1.062 1230 V CA -0.292 62.004 62.300 -0.007 0.000 1.063 1230 V CB 0.728 32.539 31.823 -0.020 0.000 0.994 1230 V HN 0.607 nan 8.190 nan 0.000 0.483 1231 S N 0.000 115.700 115.700 -0.000 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.011 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517