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_f 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 0.053 nan 4.420 nan 0.000 0.230 1003 P C 1.334 178.638 177.300 0.007 0.000 1.168 1003 P CA 0.658 63.761 63.100 0.006 0.000 0.793 1003 P CB 0.970 32.673 31.700 0.005 0.000 0.851 1004 K N 0.559 120.963 120.400 0.007 0.000 2.137 1004 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 1004 K C 2.294 178.899 176.600 0.008 0.000 1.052 1004 K CA 0.444 56.736 56.287 0.008 0.000 0.961 1004 K CB 0.052 32.556 32.500 0.007 0.000 0.741 1004 K HN -0.118 nan 8.250 nan 0.000 0.452 1005 R N 0.055 120.560 120.500 0.008 0.000 2.115 1005 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 1005 R C 2.223 178.528 176.300 0.009 0.000 1.111 1005 R CA 1.139 57.244 56.100 0.008 0.000 0.976 1005 R CB -0.182 30.122 30.300 0.007 0.000 0.870 1005 R HN 0.195 nan 8.270 nan 0.000 0.445 1006 A N 1.073 123.898 122.820 0.008 0.000 1.929 1006 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 1006 A C 2.314 179.904 177.584 0.011 0.000 1.176 1006 A CA 1.345 53.387 52.037 0.009 0.000 0.628 1006 A CB -0.487 18.518 19.000 0.008 0.000 0.816 1006 A HN 0.360 nan 8.150 nan 0.000 0.444 1007 A N 0.208 123.035 122.820 0.011 0.000 1.845 1007 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 1007 A C 2.150 179.743 177.584 0.015 0.000 1.195 1007 A CA 1.528 53.573 52.037 0.013 0.000 0.616 1007 A CB -0.818 18.189 19.000 0.012 0.000 0.832 1007 A HN 0.456 nan 8.150 nan 0.000 0.443 1008 L N -0.474 120.757 121.223 0.014 0.000 1.997 1008 L HA -0.267 4.073 4.340 -0.000 0.000 0.216 1008 L C 2.555 179.436 176.870 0.018 0.000 1.074 1008 L CA 1.801 56.651 54.840 0.016 0.000 0.763 1008 L CB -0.631 41.436 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.879 119.700 120.570 0.015 0.000 2.361 1009 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 1009 I C 2.632 178.762 176.117 0.021 0.000 1.133 1009 I CA 0.910 62.220 61.300 0.015 0.000 1.413 1009 I CB -0.196 37.811 38.000 0.012 0.000 1.073 1009 I HN 0.357 nan 8.210 nan 0.000 0.424 1010 Q N 1.564 121.377 119.800 0.021 0.000 2.016 1010 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 1010 Q C 1.921 177.941 176.000 0.032 0.000 0.978 1010 Q CA 1.801 57.619 55.803 0.024 0.000 0.833 1010 Q CB -0.210 28.540 28.738 0.020 0.000 0.895 1010 Q HN 0.396 nan 8.270 nan 0.000 0.427 1011 N N 0.154 118.873 118.700 0.032 0.000 2.137 1011 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 1011 N C 1.793 177.339 175.510 0.059 0.000 1.017 1011 N CA 1.139 54.214 53.050 0.040 0.000 0.859 1011 N CB -0.382 38.127 38.487 0.035 0.000 1.002 1011 N HN 0.279 nan 8.380 nan 0.000 0.428 1012 L N 0.997 122.253 121.223 0.054 0.000 1.989 1012 L HA -0.139 4.202 4.340 -0.000 0.000 0.211 1012 L C 2.262 179.192 176.870 0.098 0.000 1.071 1012 L CA 1.390 56.271 54.840 0.067 0.000 0.749 1012 L CB -0.169 41.908 42.059 0.029 0.000 0.890 1012 L HN 0.147 nan 8.230 nan 0.000 0.431 1013 R N -0.551 119.992 120.500 0.072 0.000 2.280 1013 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 1013 R C 1.296 177.650 176.300 0.091 0.000 1.043 1013 R CA 0.624 56.774 56.100 0.083 0.000 1.006 1013 R CB -0.109 30.223 30.300 0.054 0.000 0.885 1013 R HN 0.431 nan 8.270 nan 0.000 0.467 1014 D N -0.447 120.000 120.400 0.078 0.000 2.305 1014 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 1014 D C 1.419 177.751 176.300 0.054 0.000 0.974 1014 D CA 0.772 54.806 54.000 0.056 0.000 0.871 1014 D CB 0.328 41.151 40.800 0.038 0.000 0.947 1014 D HN 0.014 nan 8.370 nan 0.000 0.516 1015 S N -0.170 115.591 115.700 0.102 0.000 2.414 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 1015 S C 0.250 174.828 174.600 -0.037 0.000 1.022 1015 S CA 0.573 58.818 58.200 0.074 0.000 0.958 1015 S CB 0.088 63.421 63.200 0.222 0.000 0.797 1015 S HN 0.238 nan 8.310 nan 0.000 0.493 1016 Y N 2.272 122.576 120.300 0.007 0.000 2.787 1016 Y HA 0.322 4.872 4.550 -0.000 0.000 0.352 1016 Y C 0.753 176.662 175.900 0.016 0.000 1.027 1016 Y CA -1.312 56.792 58.100 0.006 0.000 1.219 1016 Y CB -0.025 38.438 38.460 0.005 0.000 1.110 1016 Y HN 0.069 nan 8.280 nan 0.000 0.614 1017 T N -3.250 111.359 114.554 0.092 0.000 2.771 1017 T HA 0.093 4.443 4.350 -0.000 0.000 0.290 1017 T C 1.269 176.024 174.700 0.093 0.000 1.005 1017 T CA -0.498 61.651 62.100 0.081 0.000 0.944 1017 T CB 1.131 70.025 68.868 0.043 0.000 1.147 1017 T HN 0.477 nan 8.240 nan 0.000 0.534 1018 E N 0.018 120.276 120.200 0.097 0.000 2.204 1018 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 1018 E C 1.972 178.630 176.600 0.097 0.000 0.989 1018 E CA 1.221 57.695 56.400 0.124 0.000 0.824 1018 E CB -0.699 29.078 29.700 0.127 0.000 0.756 1018 E HN 0.783 nan 8.360 nan 0.000 0.477 1019 T N 0.365 114.954 114.554 0.058 0.000 2.788 1019 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 1019 T C 2.020 176.735 174.700 0.024 0.000 1.044 1019 T CA 1.384 63.521 62.100 0.062 0.000 1.139 1019 T CB -0.133 68.751 68.868 0.027 0.000 0.867 1019 T HN 0.109 nan 8.240 nan 0.000 0.454 1020 S N 1.870 117.565 115.700 -0.009 0.000 2.356 1020 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 1020 S C 2.533 177.077 174.600 -0.093 0.000 1.032 1020 S CA 1.530 59.691 58.200 -0.066 0.000 1.005 1020 S CB -0.451 62.704 63.200 -0.075 0.000 0.867 1020 S HN 0.764 nan 8.310 nan 0.000 0.449 1021 S N 1.141 116.809 115.700 -0.052 0.000 2.414 1021 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 1021 S C 1.632 176.050 174.600 -0.303 0.000 1.022 1021 S CA 0.462 58.560 58.200 -0.170 0.000 0.958 1021 S CB -0.639 62.525 63.200 -0.061 0.000 0.797 1021 S HN 0.419 nan 8.310 nan 0.000 0.493 1022 F N 3.249 123.025 119.950 -0.291 0.000 2.234 1022 F HA 0.248 4.775 4.527 -0.000 0.000 0.299 1022 F C 2.408 178.019 175.800 -0.315 0.000 1.087 1022 F CA 0.218 58.025 58.000 -0.321 0.000 1.340 1022 F CB -0.997 37.882 39.000 -0.202 0.000 1.031 1022 F HN 0.284 nan 8.300 nan 0.000 0.500 1023 A N -0.049 122.533 122.820 -0.397 0.000 1.902 1023 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1023 A C 2.324 179.619 177.584 -0.483 0.000 1.181 1023 A CA 1.994 53.760 52.037 -0.452 0.000 0.623 1023 A CB -1.380 17.465 19.000 -0.258 0.000 0.818 1023 A HN 0.235 nan 8.150 nan 0.000 0.443 1024 V N 0.613 120.229 119.914 -0.497 0.000 2.407 1024 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1024 V C 2.378 177.896 176.094 -0.961 0.000 1.055 1024 V CA 1.676 63.576 62.300 -0.667 0.000 1.049 1024 V CB -0.716 30.672 31.823 -0.726 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.039 120.106 120.570 -0.838 0.000 2.315 1025 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 1025 I C 2.503 178.374 176.117 -0.410 0.000 1.117 1025 I CA 1.413 62.319 61.300 -0.657 0.000 1.404 1025 I CB -1.148 36.552 38.000 -0.500 0.000 1.071 1025 I HN 0.454 nan 8.210 nan 0.000 0.419 1026 E N 0.507 120.385 120.200 -0.537 0.000 2.077 1026 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 1026 E C 2.021 178.500 176.600 -0.202 0.000 0.989 1026 E CA 1.192 57.354 56.400 -0.396 0.000 0.800 1026 E CB -0.015 29.358 29.700 -0.545 0.000 0.746 1026 E HN 0.332 nan 8.360 nan 0.000 0.452 1027 E N 0.466 120.545 120.200 -0.201 0.000 2.051 1027 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 1027 E C 1.520 178.204 176.600 0.140 0.000 0.991 1027 E CA 1.334 57.711 56.400 -0.039 0.000 0.799 1027 E CB -0.273 29.411 29.700 -0.026 0.000 0.748 1027 E HN 0.285 nan 8.360 nan 0.000 0.449 1028 W N 0.588 121.813 121.300 -0.125 0.000 2.402 1028 W HA 0.134 4.794 4.660 -0.000 0.000 0.286 1028 W C 2.377 178.851 176.519 -0.076 0.000 1.221 1028 W CA 0.939 58.228 57.345 -0.093 0.000 1.257 1028 W CB -1.256 28.148 29.460 -0.093 0.000 1.120 1028 W HN 0.253 nan 8.180 nan 0.000 0.551 1029 A N 0.012 122.911 122.820 0.131 0.000 1.902 1029 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 1029 A C 2.107 179.713 177.584 0.036 0.000 1.181 1029 A CA 2.780 54.855 52.037 0.062 0.000 0.623 1029 A CB -0.830 18.175 19.000 0.008 0.000 0.818 1029 A HN 0.125 nan 8.150 nan 0.000 0.443 1030 A N -1.522 121.310 122.820 0.019 0.000 2.283 1030 A HA 0.485 4.805 4.320 -0.000 0.000 0.225 1030 A C 2.333 179.923 177.584 0.010 0.000 2.109 1030 A CA 1.094 53.135 52.037 0.006 0.000 0.889 1030 A CB -1.357 17.636 19.000 -0.013 0.000 1.437 1030 A HN 0.743 nan 8.150 nan 0.000 0.595 1031 G N -0.296 108.508 108.800 0.006 0.000 2.672 1031 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 1031 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 1031 G C 1.498 176.400 174.900 0.004 0.000 1.238 1031 G CA 2.183 47.285 45.100 0.004 0.000 0.791 1031 G HN 0.458 nan 8.290 nan 0.000 0.606 1032 T N 1.063 115.631 114.554 0.024 0.000 2.803 1032 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 1032 T C 2.367 177.030 174.700 -0.061 0.000 1.052 1032 T CA 0.959 63.044 62.100 -0.026 0.000 1.136 1032 T CB -0.136 68.705 68.868 -0.046 0.000 0.864 1032 T HN 0.131 nan 8.240 nan 0.000 0.467 1033 L N 0.345 121.551 121.223 -0.029 0.000 2.072 1033 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 1033 L C 2.834 179.688 176.870 -0.027 0.000 1.079 1033 L CA 1.249 56.067 54.840 -0.037 0.000 0.752 1033 L CB -0.388 41.665 42.059 -0.010 0.000 0.906 1033 L HN 0.306 nan 8.230 nan 0.000 0.436 1034 Q N -0.573 119.218 119.800 -0.015 0.000 2.170 1034 Q HA -0.263 4.077 4.340 -0.000 0.000 0.203 1034 Q C 1.956 177.948 176.000 -0.013 0.000 0.976 1034 Q CA 1.464 57.261 55.803 -0.011 0.000 0.858 1034 Q CB -0.022 28.712 28.738 -0.007 0.000 0.907 1034 Q HN 0.289 nan 8.270 nan 0.000 0.433 1035 E N 1.296 121.484 120.200 -0.019 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.635 178.227 176.600 -0.014 0.000 0.989 1035 E CA 1.198 57.587 56.400 -0.018 0.000 0.800 1035 E CB -0.190 29.493 29.700 -0.028 0.000 0.746 1035 E HN 0.366 nan 8.360 nan 0.000 0.452 1036 I N 0.548 121.102 120.570 -0.027 0.000 2.226 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.527 178.642 176.117 -0.003 0.000 1.100 1036 I CA 1.603 62.894 61.300 -0.015 0.000 1.374 1036 I CB -0.388 37.586 38.000 -0.043 0.000 1.057 1036 I HN 0.266 nan 8.210 nan 0.000 0.413 1037 E N 1.289 121.482 120.200 -0.011 0.000 2.265 1037 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 1037 E C 2.177 178.775 176.600 -0.003 0.000 0.996 1037 E CA 1.210 57.605 56.400 -0.007 0.000 0.832 1037 E CB -0.088 29.607 29.700 -0.009 0.000 0.756 1037 E HN 0.484 nan 8.360 nan 0.000 0.491 1038 G N 1.070 109.869 108.800 -0.001 0.000 2.395 1038 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 1038 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 1038 G C 1.551 176.456 174.900 0.008 0.000 1.177 1038 G CA 0.530 45.631 45.100 0.003 0.000 0.794 1038 G HN 0.260 nan 8.290 nan 0.000 0.532 1039 I N 1.573 122.154 120.570 0.017 0.000 2.567 1039 I HA -0.131 4.039 4.170 -0.000 0.000 0.257 1039 I C 3.144 179.267 176.117 0.010 0.000 1.184 1039 I CA 0.556 61.873 61.300 0.030 0.000 1.451 1039 I CB -0.083 37.963 38.000 0.077 0.000 1.089 1039 I HN 0.248 nan 8.210 nan 0.000 0.441 1040 A N 2.246 125.067 122.820 0.003 0.000 1.845 1040 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 1040 A C 2.329 179.902 177.584 -0.018 0.000 1.195 1040 A CA 1.995 54.024 52.037 -0.013 0.000 0.616 1040 A CB -0.478 18.515 19.000 -0.011 0.000 0.832 1040 A HN 0.517 nan 8.150 nan 0.000 0.443 1041 K N -0.602 119.792 120.400 -0.009 0.000 2.365 1041 K HA 0.331 4.651 4.320 -0.000 0.000 0.197 1041 K C 1.863 178.463 176.600 0.001 0.000 1.042 1041 K CA 0.938 57.221 56.287 -0.006 0.000 0.987 1041 K CB -0.260 32.239 32.500 -0.003 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.912 124.733 122.820 0.001 0.000 1.933 1042 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 1042 A C 2.340 179.928 177.584 0.006 0.000 1.175 1042 A CA 1.656 53.697 52.037 0.006 0.000 0.628 1042 A CB -0.505 18.500 19.000 0.009 0.000 0.814 1042 A HN 0.467 nan 8.150 nan 0.000 0.444 1043 A N -1.186 121.632 122.820 -0.004 0.000 2.238 1043 A HA 0.562 4.882 4.320 -0.000 0.000 0.210 1043 A C 2.134 179.730 177.584 0.019 0.000 1.179 1043 A CA 1.107 53.142 52.037 -0.004 0.000 0.827 1043 A CB -0.449 18.525 19.000 -0.043 0.000 0.856 1043 A HN 0.780 nan 8.150 nan 0.000 0.488 1044 A N 1.233 124.057 122.820 0.006 0.000 1.898 1044 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1044 A C 1.921 179.536 177.584 0.052 0.000 1.183 1044 A CA 1.408 53.449 52.037 0.007 0.000 0.622 1044 A CB -0.436 18.556 19.000 -0.014 0.000 0.824 1044 A HN 0.682 nan 8.150 nan 0.000 0.444 1045 E N -0.220 120.005 120.200 0.041 0.000 2.216 1045 E HA 0.142 4.492 4.350 -0.000 0.000 0.192 1045 E C 1.816 178.450 176.600 0.056 0.000 0.988 1045 E CA 0.749 57.177 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 0.432 nan 8.360 nan 0.000 0.479 1046 A N 1.710 124.564 122.820 0.056 0.000 2.014 1046 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1046 A C 2.089 179.716 177.584 0.072 0.000 1.163 1046 A CA 1.357 53.425 52.037 0.051 0.000 0.652 1046 A CB -0.793 18.229 19.000 0.036 0.000 0.808 1046 A HN 0.422 nan 8.150 nan 0.000 0.449 1047 H N -0.396 118.676 119.070 0.002 0.000 2.482 1047 H HA 0.016 4.572 4.556 0.000 0.000 0.286 1047 H C 2.094 177.430 175.328 0.013 0.000 1.017 1047 H CA 1.369 57.420 56.048 0.005 0.000 1.322 1047 H CB -0.185 29.571 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.443 109.328 108.800 0.142 0.000 2.421 1048 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G C 1.833 176.749 174.900 0.027 0.000 1.143 1048 G CA 0.760 45.916 45.100 0.092 0.000 0.784 1048 G HN 0.305 nan 8.290 nan 0.000 0.541 1049 V N 1.531 121.459 119.914 0.024 0.000 2.261 1049 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 1049 V C 2.755 178.859 176.094 0.018 0.000 1.047 1049 V CA 1.564 63.876 62.300 0.020 0.000 1.015 1049 V CB -0.453 31.384 31.823 0.024 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.054 120.516 120.570 0.000 0.000 2.530 1050 I HA -0.242 3.928 4.170 -0.000 0.000 0.257 1050 I C 2.651 178.756 176.117 -0.019 0.000 1.179 1050 I CA 1.512 62.829 61.300 0.028 0.000 1.440 1050 I CB -0.469 37.516 38.000 -0.025 0.000 1.087 1050 I HN 0.271 nan 8.210 nan 0.000 0.440 1051 R N 1.426 121.877 120.500 -0.082 0.000 2.148 1051 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 1051 R C 0.743 177.041 176.300 -0.004 0.000 1.088 1051 R CA 1.026 57.087 56.100 -0.066 0.000 0.985 1051 R CB 0.091 30.356 30.300 -0.057 0.000 0.880 1051 R HN 0.347 nan 8.270 nan 0.000 0.451 1052 N N 0.544 119.253 118.700 0.014 0.000 2.380 1052 N HA 0.117 4.857 4.740 -0.000 0.000 0.255 1052 N C -1.124 174.409 175.510 0.038 0.000 1.158 1052 N CA 0.055 53.119 53.050 0.024 0.000 0.878 1052 N CB 1.454 39.953 38.487 0.020 0.000 1.138 1052 N HN -0.008 nan 8.380 nan 0.000 0.509 1053 S N -0.536 115.206 115.700 0.070 0.000 2.599 1053 S HA 0.529 4.999 4.470 -0.000 0.000 0.294 1053 S C -0.132 174.555 174.600 0.146 0.000 1.094 1053 S CA -0.531 57.724 58.200 0.092 0.000 0.931 1053 S CB 2.392 65.662 63.200 0.116 0.000 1.093 1053 S HN -0.008 nan 8.310 nan 0.000 0.488 1054 T N 2.545 117.164 114.554 0.108 0.000 2.770 1054 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 1054 T C -1.283 173.505 174.700 0.146 0.000 0.988 1054 T CA -0.228 61.951 62.100 0.131 0.000 0.957 1054 T CB 0.172 69.076 68.868 0.060 0.000 0.930 1054 T HN 0.387 nan 8.240 nan 0.000 0.443 1055 Y N 1.763 122.058 120.300 -0.008 0.000 2.316 1055 Y HA 0.596 5.146 4.550 0.000 0.000 0.331 1055 Y C 0.945 176.841 175.900 -0.007 0.000 1.083 1055 Y CA -0.139 57.956 58.100 -0.008 0.000 1.206 1055 Y CB 1.223 39.679 38.460 -0.008 0.000 1.195 1055 Y HN 0.840 nan 8.280 nan 0.000 0.497 1056 G N 2.048 110.876 108.800 0.046 0.000 3.015 1056 G HA2 0.278 4.238 3.960 -0.000 0.000 0.281 1056 G HA3 0.278 4.238 3.960 -0.000 0.000 0.281 1056 G C 0.291 175.203 174.900 0.020 0.000 1.386 1056 G CA -0.918 44.199 45.100 0.030 0.000 0.959 1056 G HN 0.600 nan 8.290 nan 0.000 0.522 1057 R N -0.700 119.808 120.500 0.012 0.000 2.159 1057 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 1057 R C 2.501 178.795 176.300 -0.010 0.000 1.131 1057 R CA 1.882 57.986 56.100 0.007 0.000 0.982 1057 R CB -0.397 29.904 30.300 0.003 0.000 0.868 1057 R HN 0.503 nan 8.270 nan 0.000 0.453 1058 A N 0.605 123.407 122.820 -0.029 0.000 1.940 1058 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 1058 A C 1.879 179.424 177.584 -0.064 0.000 1.176 1058 A CA 1.419 53.428 52.037 -0.046 0.000 0.631 1058 A CB -0.272 18.693 19.000 -0.058 0.000 0.814 1058 A HN 0.404 nan 8.150 nan 0.000 0.446 1059 Q N -0.765 118.978 119.800 -0.096 0.000 2.472 1059 Q HA 0.321 4.661 4.340 -0.000 0.000 0.208 1059 Q C 1.688 177.673 176.000 -0.026 0.000 0.958 1059 Q CA 0.848 56.574 55.803 -0.127 0.000 0.932 1059 Q CB -0.222 28.298 28.738 -0.363 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.220 123.040 122.820 0.000 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 0.142 52.188 52.037 0.013 0.000 0.827 1060 A CB 0.247 19.260 19.000 0.022 0.000 0.856 1060 A HN 0.218 nan 8.150 nan 0.000 0.488 1061 E N -0.137 120.053 120.200 -0.018 0.000 2.437 1061 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 1061 E C -0.223 176.364 176.600 -0.023 0.000 1.029 1061 E CA -0.028 56.360 56.400 -0.020 0.000 0.948 1061 E CB 0.219 29.907 29.700 -0.020 0.000 1.082 1061 E HN 0.406 nan 8.360 nan 0.000 0.456 1062 K N 0.273 120.659 120.400 -0.024 0.000 2.622 1062 K HA 0.208 4.528 4.320 -0.000 0.000 0.273 1062 K C -1.596 174.994 176.600 -0.016 0.000 0.957 1062 K CA -0.403 55.871 56.287 -0.021 0.000 0.861 1062 K CB 1.808 34.294 32.500 -0.024 0.000 1.405 1062 K HN -0.138 nan 8.250 nan 0.000 0.406 1063 S N 3.939 119.633 115.700 -0.009 0.000 2.438 1063 S HA 0.332 4.802 4.470 -0.000 0.000 0.293 1063 S C -2.454 172.168 174.600 0.036 0.000 1.141 1063 S CA -1.130 57.074 58.200 0.007 0.000 1.080 1063 S CB 1.081 64.277 63.200 -0.007 0.000 0.978 1063 S HN 0.399 nan 8.310 nan 0.000 0.479 1064 P HA 0.015 nan 4.420 nan 0.000 0.254 1064 P C 0.156 177.497 177.300 0.068 0.000 1.186 1064 P CA 0.259 63.396 63.100 0.061 0.000 0.868 1064 P CB 0.328 32.083 31.700 0.091 0.000 0.856 1065 E N 2.165 122.390 120.200 0.042 0.000 2.204 1065 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 1065 E C 1.905 178.529 176.600 0.041 0.000 0.990 1065 E CA 0.918 57.343 56.400 0.042 0.000 0.821 1065 E CB 0.021 29.736 29.700 0.025 0.000 0.750 1065 E HN 0.609 nan 8.360 nan 0.000 0.477 1066 Q N 0.835 120.656 119.800 0.034 0.000 2.167 1066 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 1066 Q C 2.119 178.134 176.000 0.026 0.000 0.970 1066 Q CA 0.886 56.704 55.803 0.026 0.000 0.855 1066 Q CB 0.064 28.814 28.738 0.021 0.000 0.911 1066 Q HN 0.319 nan 8.270 nan 0.000 0.438 1067 L N 0.343 121.587 121.223 0.034 0.000 2.056 1067 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 1067 L C 2.379 179.247 176.870 -0.004 0.000 1.078 1067 L CA 0.773 55.611 54.840 -0.004 0.000 0.749 1067 L CB -0.471 41.582 42.059 -0.011 0.000 0.901 1067 L HN 0.308 nan 8.230 nan 0.000 0.433 1068 L N -0.153 121.104 121.223 0.056 0.000 2.265 1068 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 1068 L C 2.573 179.472 176.870 0.049 0.000 1.117 1068 L CA 0.972 55.857 54.840 0.074 0.000 0.782 1068 L CB -0.981 41.135 42.059 0.095 0.000 0.914 1068 L HN 0.297 nan 8.230 nan 0.000 0.441 1069 G N -0.570 108.251 108.800 0.036 0.000 2.421 1069 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 1069 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 1069 G C 1.547 176.466 174.900 0.032 0.000 1.143 1069 G CA 0.551 45.671 45.100 0.032 0.000 0.784 1069 G HN 0.158 nan 8.290 nan 0.000 0.541 1070 V N 0.900 120.827 119.914 0.021 0.000 2.273 1070 V HA 0.010 4.130 4.120 -0.000 0.000 0.242 1070 V C 2.806 178.929 176.094 0.049 0.000 1.035 1070 V CA 1.008 63.322 62.300 0.022 0.000 1.013 1070 V CB -0.516 31.301 31.823 -0.010 0.000 0.652 1070 V HN 0.291 nan 8.190 nan 0.000 0.452 1071 L N 0.117 121.352 121.223 0.020 0.000 2.263 1071 L HA -0.258 4.082 4.340 -0.000 0.000 0.216 1071 L C 2.545 179.495 176.870 0.133 0.000 1.111 1071 L CA 1.583 56.464 54.840 0.068 0.000 0.773 1071 L CB -0.469 41.602 42.059 0.020 0.000 0.906 1071 L HN 0.428 nan 8.230 nan 0.000 0.439 1072 Q N 0.511 120.366 119.800 0.092 0.000 2.089 1072 Q HA -0.155 4.185 4.340 -0.000 0.000 0.195 1072 Q C 2.255 178.299 176.000 0.074 0.000 0.963 1072 Q CA 1.291 57.141 55.803 0.078 0.000 0.834 1072 Q CB -0.131 28.642 28.738 0.058 0.000 0.906 1072 Q HN 0.227 nan 8.270 nan 0.000 0.452 1073 R N -1.098 119.447 120.500 0.075 0.000 2.159 1073 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 1073 R C 1.890 178.243 176.300 0.088 0.000 1.131 1073 R CA 1.409 57.547 56.100 0.063 0.000 0.982 1073 R CB -0.296 30.037 30.300 0.055 0.000 0.868 1073 R HN 0.424 nan 8.270 nan 0.000 0.453 1074 Y N 0.815 121.106 120.300 -0.016 0.000 2.176 1074 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 1074 Y C 2.378 178.261 175.900 -0.028 0.000 1.122 1074 Y CA 1.768 59.854 58.100 -0.024 0.000 1.128 1074 Y CB -0.449 37.998 38.460 -0.022 0.000 1.005 1074 Y HN 0.063 nan 8.280 nan 0.000 0.509 1075 Q N 0.206 119.994 119.800 -0.021 0.000 2.197 1075 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 1075 Q C 1.484 177.401 176.000 -0.139 0.000 0.984 1075 Q CA 2.112 57.825 55.803 -0.150 0.000 0.869 1075 Q CB -0.203 28.508 28.738 -0.044 0.000 0.906 1075 Q HN 0.578 nan 8.270 nan 0.000 0.426 1076 D N 0.422 120.785 120.400 -0.061 0.000 2.097 1076 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 1076 D C 2.000 178.257 176.300 -0.071 0.000 0.984 1076 D CA 0.982 54.967 54.000 -0.024 0.000 0.826 1076 D CB -0.162 40.632 40.800 -0.011 0.000 0.973 1076 D HN 0.315 nan 8.370 nan 0.000 0.460 1077 L N 0.625 121.772 121.223 -0.126 0.000 2.046 1077 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1077 L C 2.434 179.190 176.870 -0.190 0.000 1.077 1077 L CA 1.389 56.137 54.840 -0.153 0.000 0.747 1077 L CB -0.194 41.775 42.059 -0.150 0.000 0.896 1077 L HN 0.025 nan 8.230 nan 0.000 0.432 1078 C N -0.441 118.679 119.300 -0.301 0.000 2.413 1078 C HA -0.239 4.221 4.460 -0.000 0.000 0.276 1078 C C 2.615 177.570 174.990 -0.059 0.000 1.236 1078 C CA 1.267 60.129 59.018 -0.259 0.000 1.735 1078 C CB -1.473 26.022 27.740 -0.409 0.000 2.031 1078 C HN 0.722 nan 8.230 nan 0.000 0.474 1079 H N 1.330 120.297 119.070 -0.172 0.000 2.265 1079 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 1079 H C 2.069 177.400 175.328 0.004 0.000 1.089 1079 H CA 2.045 58.038 56.048 -0.092 0.000 1.244 1079 H CB -0.166 29.537 29.762 -0.098 0.000 1.355 1079 H HN 0.467 nan 8.280 nan 0.000 0.485 1080 N N 0.540 119.208 118.700 -0.053 0.000 2.018 1080 N HA -0.164 4.576 4.740 -0.000 0.000 0.196 1080 N C 2.224 177.767 175.510 0.056 0.000 1.043 1080 N CA 1.403 54.398 53.050 -0.092 0.000 0.856 1080 N CB -0.799 37.618 38.487 -0.118 0.000 1.042 1080 N HN 0.214 nan 8.380 nan 0.000 0.423 1081 V N 1.262 121.183 119.914 0.011 0.000 2.250 1081 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 1081 V C 2.148 178.326 176.094 0.139 0.000 1.060 1081 V CA 1.833 64.132 62.300 -0.001 0.000 1.030 1081 V CB -0.828 30.863 31.823 -0.220 0.000 0.643 1081 V HN 0.310 nan 8.190 nan 0.000 0.445 1082 Y N -0.183 120.136 120.300 0.032 0.000 2.241 1082 Y HA -0.325 4.225 4.550 -0.000 0.000 0.286 1082 Y C 2.429 178.400 175.900 0.118 0.000 1.166 1082 Y CA 2.059 60.202 58.100 0.072 0.000 1.203 1082 Y CB -0.325 38.166 38.460 0.050 0.000 0.977 1082 Y HN 0.314 nan 8.280 nan 0.000 0.529 1083 C N -0.140 119.330 119.300 0.282 0.000 2.492 1083 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 1083 C C 2.449 177.510 174.990 0.117 0.000 1.335 1083 C CA 0.888 60.029 59.018 0.204 0.000 1.734 1083 C CB -0.872 27.003 27.740 0.225 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.043 120.943 119.800 0.166 0.000 2.230 1084 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 1084 Q C 2.369 178.456 176.000 0.146 0.000 0.963 1084 Q CA 1.449 57.354 55.803 0.171 0.000 0.866 1084 Q CB -0.210 28.742 28.738 0.356 0.000 0.931 1084 Q HN 0.738 nan 8.270 nan 0.000 0.452 1085 A N 1.414 124.356 122.820 0.203 0.000 1.854 1085 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 1085 A C 1.913 179.486 177.584 -0.018 0.000 1.192 1085 A CA 0.915 53.035 52.037 0.138 0.000 0.611 1085 A CB -0.246 18.814 19.000 0.099 0.000 0.832 1085 A HN 0.114 nan 8.150 nan 0.000 0.442 1086 E N 0.005 120.138 120.200 -0.110 0.000 2.273 1086 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 1086 E C 1.956 178.550 176.600 -0.011 0.000 1.002 1086 E CA 1.563 57.900 56.400 -0.105 0.000 0.828 1086 E CB -0.634 28.992 29.700 -0.124 0.000 0.747 1086 E HN 0.623 nan 8.360 nan 0.000 0.491 1087 T N 0.984 115.557 114.554 0.032 0.000 2.732 1087 T HA -0.010 4.340 4.350 -0.000 0.000 0.261 1087 T C 2.098 176.837 174.700 0.066 0.000 1.040 1087 T CA 0.645 62.808 62.100 0.106 0.000 1.145 1087 T CB -0.116 68.786 68.868 0.057 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.743 121.299 120.570 -0.023 0.000 2.264 1088 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 1088 I C 2.858 178.986 176.117 0.018 0.000 1.111 1088 I CA 1.255 62.536 61.300 -0.031 0.000 1.382 1088 I CB -0.327 37.604 38.000 -0.116 0.000 1.060 1088 I HN 0.136 nan 8.210 nan 0.000 0.418 1089 R N 0.129 120.627 120.500 -0.003 0.000 2.075 1089 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 1089 R C 2.275 178.549 176.300 -0.043 0.000 1.126 1089 R CA 1.805 57.897 56.100 -0.014 0.000 0.963 1089 R CB -0.659 29.622 30.300 -0.032 0.000 0.858 1089 R HN 0.351 nan 8.270 nan 0.000 0.435 1090 T N 0.940 115.446 114.554 -0.080 0.000 2.833 1090 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 1090 T C 1.975 176.585 174.700 -0.149 0.000 1.054 1090 T CA 1.011 62.985 62.100 -0.209 0.000 1.135 1090 T CB -0.087 68.496 68.868 -0.476 0.000 0.869 1090 T HN -0.000 nan 8.240 nan 0.000 0.466 1091 V N 1.024 120.938 119.914 -0.000 0.000 2.427 1091 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 1091 V C 2.220 178.342 176.094 0.046 0.000 1.051 1091 V CA 1.374 63.721 62.300 0.079 0.000 1.048 1091 V CB -0.490 31.415 31.823 0.138 0.000 0.666 1091 V HN 0.500 nan 8.190 nan 0.000 0.456 1092 I N 0.035 120.620 120.570 0.025 0.000 2.364 1092 I HA -0.029 4.141 4.170 -0.000 0.000 0.241 1092 I C 2.712 178.809 176.117 -0.034 0.000 1.082 1092 I CA 1.028 62.331 61.300 0.005 0.000 1.401 1092 I CB -0.733 37.271 38.000 0.007 0.000 1.126 1092 I HN 0.215 nan 8.210 nan 0.000 0.429 1093 A N 1.937 124.728 122.820 -0.049 0.000 1.971 1093 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 1093 A C 2.206 179.759 177.584 -0.051 0.000 1.182 1093 A CA 2.341 54.343 52.037 -0.058 0.000 0.649 1093 A CB -1.235 17.730 19.000 -0.059 0.000 0.818 1093 A HN 0.671 nan 8.150 nan 0.000 0.458 1094 I N -4.784 115.754 120.570 -0.054 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 -0.018 0.000 1.289 1094 I CA 0.643 61.919 61.300 -0.040 0.000 1.325 1094 I CB -0.054 37.916 38.000 -0.051 0.000 1.039 1094 I HN 0.088 nan 8.210 nan 0.000 0.474 1095 R N 1.185 121.674 120.500 -0.019 0.000 2.652 1095 R HA 0.483 4.823 4.340 -0.000 0.000 0.372 1095 R C -0.208 176.077 176.300 -0.026 0.000 1.104 1095 R CA -0.272 55.821 56.100 -0.012 0.000 1.072 1095 R CB 0.603 30.904 30.300 0.001 0.000 1.367 1095 R HN 0.320 nan 8.270 nan 0.000 0.577 1096 I N 4.063 124.613 120.570 -0.033 0.000 2.337 1096 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 1096 I C -1.419 174.698 176.117 -0.000 0.000 1.046 1096 I CA -1.863 59.414 61.300 -0.037 0.000 1.324 1096 I CB 0.866 38.835 38.000 -0.050 0.000 1.409 1096 I HN -0.083 nan 8.210 nan 0.000 0.494 1097 P HA 0.002 nan 4.420 nan 0.000 0.274 1097 P C -0.243 177.082 177.300 0.041 0.000 1.264 1097 P CA -0.435 62.674 63.100 0.015 0.000 0.795 1097 P CB 0.550 32.252 31.700 0.003 0.000 1.064 1098 E N -0.073 120.146 120.200 0.033 0.000 2.529 1098 E HA -0.145 4.205 4.350 -0.000 0.000 0.259 1098 E C -0.129 176.515 176.600 0.073 0.000 0.966 1098 E CA -0.021 56.409 56.400 0.050 0.000 0.937 1098 E CB -0.023 29.692 29.700 0.024 0.000 0.923 1098 E HN 0.377 nan 8.360 nan 0.000 0.468 1099 H N 4.569 123.648 119.070 0.015 0.000 3.082 1099 H HA 0.121 4.677 4.556 -0.000 0.000 0.275 1099 H C -0.710 174.625 175.328 0.012 0.000 1.032 1099 H CA 0.659 56.718 56.048 0.020 0.000 1.477 1099 H CB 0.200 29.973 29.762 0.020 0.000 1.520 1099 H HN 0.349 nan 8.280 nan 0.000 0.521 1100 K N 3.136 123.300 120.400 -0.393 0.000 2.349 1100 K HA 0.237 4.557 4.320 -0.000 0.000 0.243 1100 K C 0.178 176.555 176.600 -0.371 0.000 1.058 1100 K CA -0.958 55.147 56.287 -0.304 0.000 0.871 1100 K CB 1.433 33.850 32.500 -0.139 0.000 1.337 1100 K HN 0.536 nan 8.250 nan 0.000 0.469 1101 E N 1.398 121.473 120.200 -0.207 0.000 2.548 1101 E HA 0.050 4.400 4.350 -0.000 0.000 0.206 1101 E C -0.717 175.829 176.600 -0.089 0.000 1.005 1101 E CA 0.248 56.562 56.400 -0.145 0.000 0.951 1101 E CB 0.747 30.391 29.700 -0.093 0.000 1.035 1101 E HN 0.579 nan 8.360 nan 0.000 0.470 1102 E N -0.562 119.586 120.200 -0.086 0.000 2.433 1102 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 1102 E C -0.691 175.877 176.600 -0.052 0.000 0.976 1102 E CA -0.814 55.552 56.400 -0.057 0.000 0.793 1102 E CB 1.043 30.714 29.700 -0.048 0.000 1.311 1102 E HN -0.254 nan 8.360 nan 0.000 0.460 1103 D N 0.456 120.833 120.400 -0.039 0.000 2.723 1103 D HA -0.144 4.496 4.640 -0.000 0.000 0.236 1103 D C -0.701 175.581 176.300 -0.030 0.000 1.138 1103 D CA 0.566 54.545 54.000 -0.035 0.000 0.676 1103 D CB -1.318 39.459 40.800 -0.038 0.000 1.069 1103 D HN 0.570 nan 8.370 nan 0.000 0.430 1104 N N 0.257 118.943 118.700 -0.024 0.000 2.321 1104 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 1104 N C 1.797 177.308 175.510 0.001 0.000 1.141 1104 N CA -0.279 52.767 53.050 -0.006 0.000 0.864 1104 N CB 0.219 38.705 38.487 -0.000 0.000 1.100 1104 N HN 0.412 nan 8.380 nan 0.000 0.510 1105 L N -0.281 120.935 121.223 -0.012 0.000 2.093 1105 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 1105 L C 2.352 179.213 176.870 -0.015 0.000 1.085 1105 L CA 1.386 56.218 54.840 -0.013 0.000 0.755 1105 L CB -0.374 41.671 42.059 -0.023 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.692 108.094 108.800 -0.024 0.000 2.396 1106 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.214 1106 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.214 1106 G C 1.579 176.468 174.900 -0.018 0.000 1.166 1106 G CA 0.572 45.651 45.100 -0.035 0.000 0.793 1106 G HN 0.149 nan 8.290 nan 0.000 0.533 1107 V N 1.921 121.837 119.914 0.003 0.000 2.380 1107 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1107 V C 3.327 179.478 176.094 0.095 0.000 1.063 1107 V CA 2.063 64.384 62.300 0.035 0.000 1.055 1107 V CB -0.997 30.877 31.823 0.085 0.000 0.657 1107 V HN 0.463 nan 8.190 nan 0.000 0.455 1108 A N -0.177 122.696 122.820 0.088 0.000 1.908 1108 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 1108 A C 2.412 180.043 177.584 0.079 0.000 1.181 1108 A CA 2.163 54.261 52.037 0.102 0.000 0.627 1108 A CB -0.719 18.312 19.000 0.053 0.000 0.818 1108 A HN 0.352 nan 8.150 nan 0.000 0.445 1109 V N 0.162 120.092 119.914 0.028 0.000 2.343 1109 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 1109 V C 2.674 178.771 176.094 0.005 0.000 1.051 1109 V CA 2.281 64.585 62.300 0.007 0.000 1.036 1109 V CB -0.988 30.817 31.823 -0.030 0.000 0.654 1109 V HN 0.650 nan 8.190 nan 0.000 0.451 1110 Q N -0.904 118.879 119.800 -0.028 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.334 178.289 176.000 -0.075 0.000 0.988 1110 Q CA 1.879 57.633 55.803 -0.081 0.000 0.843 1110 Q CB -0.406 28.231 28.738 -0.169 0.000 0.908 1110 Q HN 0.688 nan 8.270 nan 0.000 0.420 1111 H N 0.129 119.212 119.070 0.022 0.000 2.387 1111 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 1111 H C 2.101 177.446 175.328 0.030 0.000 1.099 1111 H CA 1.445 57.508 56.048 0.026 0.000 1.315 1111 H CB -0.202 29.575 29.762 0.025 0.000 1.380 1111 H HN 0.350 nan 8.280 nan 0.000 0.513 1112 A N 0.595 123.497 122.820 0.137 0.000 1.865 1112 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 1112 A C 2.895 180.527 177.584 0.081 0.000 1.191 1112 A CA 1.894 53.987 52.037 0.093 0.000 0.623 1112 A CB -0.961 18.079 19.000 0.067 0.000 0.826 1112 A HN 0.218 nan 8.150 nan 0.000 0.444 1113 V N 0.177 120.133 119.914 0.069 0.000 2.343 1113 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 1113 V C 2.566 178.711 176.094 0.085 0.000 1.051 1113 V CA 1.877 64.226 62.300 0.081 0.000 1.036 1113 V CB -0.780 31.092 31.823 0.081 0.000 0.654 1113 V HN 0.559 nan 8.190 nan 0.000 0.451 1114 L N -0.165 121.098 121.223 0.068 0.000 2.081 1114 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 1114 L C 2.602 179.519 176.870 0.079 0.000 1.080 1114 L CA 2.058 56.937 54.840 0.064 0.000 0.754 1114 L CB -0.555 41.532 42.059 0.047 0.000 0.893 1114 L HN 0.362 nan 8.230 nan 0.000 0.433 1115 K N 0.638 121.092 120.400 0.089 0.000 2.057 1115 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 1115 K C 2.155 178.802 176.600 0.078 0.000 1.050 1115 K CA 1.274 57.611 56.287 0.083 0.000 0.935 1115 K CB -0.061 32.488 32.500 0.081 0.000 0.715 1115 K HN 0.257 nan 8.250 nan 0.000 0.439 1116 I N 0.817 121.436 120.570 0.082 0.000 2.394 1116 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 1116 I C 1.857 178.028 176.117 0.091 0.000 1.136 1116 I CA 1.094 62.445 61.300 0.085 0.000 1.425 1116 I CB 0.060 38.115 38.000 0.091 0.000 1.079 1116 I HN 0.257 nan 8.210 nan 0.000 0.425 1117 I N 0.849 121.477 120.570 0.096 0.000 2.252 1117 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1117 I C 1.925 178.087 176.117 0.074 0.000 1.102 1117 I CA 1.311 62.671 61.300 0.100 0.000 1.385 1117 I CB -0.494 37.562 38.000 0.094 0.000 1.064 1117 I HN 0.256 nan 8.210 nan 0.000 0.414 1118 D N 0.418 120.858 120.400 0.066 0.000 2.178 1118 D HA -0.216 4.424 4.640 -0.000 0.000 0.202 1118 D C 1.947 178.292 176.300 0.074 0.000 0.974 1118 D CA 1.012 55.049 54.000 0.062 0.000 0.841 1118 D CB -0.166 40.671 40.800 0.062 0.000 0.953 1118 D HN 0.434 nan 8.370 nan 0.000 0.478 1119 E N 0.178 120.423 120.200 0.075 0.000 2.150 1119 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 1119 E C 2.087 178.737 176.600 0.082 0.000 0.985 1119 E CA 0.278 56.726 56.400 0.080 0.000 0.814 1119 E CB 0.083 29.830 29.700 0.079 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.232 122.496 121.223 0.069 0.000 2.044 1120 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 1120 L C 1.855 178.761 176.870 0.059 0.000 1.075 1120 L CA 1.812 56.679 54.840 0.044 0.000 0.747 1120 L CB -0.329 41.750 42.059 0.033 0.000 0.903 1120 L HN 0.025 nan 8.230 nan 0.000 0.435 1121 E N -0.283 119.963 120.200 0.075 0.000 2.160 1121 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1121 E C 2.270 178.981 176.600 0.186 0.000 0.991 1121 E CA 1.521 58.000 56.400 0.132 0.000 0.810 1121 E CB -0.196 29.540 29.700 0.060 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.885 121.535 120.570 0.134 0.000 2.315 1122 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 1122 I C 2.206 178.393 176.117 0.116 0.000 1.117 1122 I CA 0.811 62.186 61.300 0.125 0.000 1.404 1122 I CB -0.052 38.008 38.000 0.100 0.000 1.071 1122 I HN 0.022 nan 8.210 nan 0.000 0.419 1123 K N 0.452 120.919 120.400 0.112 0.000 2.002 1123 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 1123 K C 2.158 178.817 176.600 0.099 0.000 1.048 1123 K CA 2.195 58.553 56.287 0.119 0.000 0.930 1123 K CB -1.163 31.422 32.500 0.141 0.000 0.714 1123 K HN 0.442 nan 8.250 nan 0.000 0.438 1124 T N 0.784 115.381 114.554 0.072 0.000 2.708 1124 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 1124 T C 2.043 176.757 174.700 0.023 0.000 1.037 1124 T CA 1.198 63.312 62.100 0.022 0.000 1.146 1124 T CB -0.562 68.322 68.868 0.027 0.000 0.865 1124 T HN 0.045 nan 8.240 nan 0.000 0.435 1125 L N 1.918 123.192 121.223 0.085 0.000 2.187 1125 L HA 0.233 4.573 4.340 -0.000 0.000 0.213 1125 L C 1.406 178.335 176.870 0.098 0.000 1.100 1125 L CA 1.558 56.429 54.840 0.052 0.000 0.765 1125 L CB -1.324 40.797 42.059 0.103 0.000 0.904 1125 L HN 0.922 nan 8.230 nan 0.000 0.437 1126 G N -2.139 106.723 108.800 0.103 0.000 2.741 1126 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.222 1126 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.222 1126 G C 0.614 175.580 174.900 0.109 0.000 1.364 1126 G CA 0.345 45.515 45.100 0.118 0.000 0.866 1126 G HN 0.565 nan 8.290 nan 0.000 0.555 1127 S N -0.432 115.326 115.700 0.097 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.330 176.970 174.600 0.066 0.000 1.031 1127 S CA 1.766 60.007 58.200 0.068 0.000 0.984 1127 S CB -0.695 62.533 63.200 0.047 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.108 109.954 108.800 0.077 0.000 2.715 1128 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.221 1128 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.221 1128 G C -0.079 174.829 174.900 0.013 0.000 1.204 1128 G CA 0.123 45.239 45.100 0.027 0.000 1.063 1128 G HN 0.437 nan 8.290 nan 0.000 0.586 1129 E N -0.602 119.590 120.200 -0.012 0.000 2.534 1129 E HA 0.203 4.553 4.350 -0.000 0.000 0.179 1129 E C -0.118 176.476 176.600 -0.009 0.000 0.916 1129 E CA 0.202 56.599 56.400 -0.005 0.000 1.354 1129 E CB 1.010 30.703 29.700 -0.012 0.000 1.321 1129 E HN 0.420 nan 8.360 nan 0.000 0.663 1130 K N 1.530 121.922 120.400 -0.013 0.000 2.443 1130 K HA 0.496 4.816 4.320 -0.000 0.000 0.252 1130 K C -1.253 175.346 176.600 -0.002 0.000 0.933 1130 K CA -0.527 55.754 56.287 -0.010 0.000 0.792 1130 K CB 1.742 34.231 32.500 -0.018 0.000 1.185 1130 K HN -0.004 nan 8.250 nan 0.000 0.425 1131 S N 1.952 117.654 115.700 0.002 0.000 2.538 1131 S HA 0.666 5.136 4.470 -0.000 0.000 0.288 1131 S C -0.051 174.555 174.600 0.010 0.000 1.108 1131 S CA -0.764 57.441 58.200 0.008 0.000 0.971 1131 S CB 1.473 64.678 63.200 0.008 0.000 1.041 1131 S HN 0.782 nan 8.310 nan 0.000 0.483 1132 G N 1.699 110.508 108.800 0.015 0.000 2.365 1132 G HA2 0.344 4.304 3.960 -0.000 0.000 0.249 1132 G HA3 0.344 4.304 3.960 -0.000 0.000 0.249 1132 G C 1.106 176.015 174.900 0.014 0.000 1.288 1132 G CA -0.099 45.011 45.100 0.017 0.000 0.887 1132 G HN 1.599 nan 8.290 nan 0.000 0.524 1133 S N 1.545 117.252 115.700 0.013 0.000 2.462 1133 S HA -0.233 4.237 4.470 -0.000 0.000 0.255 1133 S C 2.190 176.796 174.600 0.010 0.000 1.058 1133 S CA 1.713 59.919 58.200 0.010 0.000 1.019 1133 S CB -0.441 62.765 63.200 0.010 0.000 0.801 1133 S HN 1.017 nan 8.310 nan 0.000 0.491 1134 G N 0.420 109.227 108.800 0.012 0.000 2.813 1134 G HA2 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G HA3 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G C 0.950 175.854 174.900 0.007 0.000 1.150 1134 G CA 0.142 45.248 45.100 0.010 0.000 0.785 1134 G HN 1.335 nan 8.290 nan 0.000 0.535 1135 G N -0.471 108.333 108.800 0.008 0.000 2.488 1135 G HA2 0.238 4.198 3.960 -0.000 0.000 0.237 1135 G HA3 0.238 4.198 3.960 -0.000 0.000 0.237 1135 G C 0.484 175.389 174.900 0.007 0.000 1.209 1135 G CA 0.346 45.449 45.100 0.005 0.000 0.929 1135 G HN 1.382 nan 8.290 nan 0.000 0.578 1136 A N 0.532 123.353 122.820 0.001 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.520 177.056 177.584 -0.012 0.000 0.964 1136 A CA 0.827 52.865 52.037 0.002 0.000 1.045 1136 A CB 0.553 19.555 19.000 0.003 0.000 1.174 1136 A HN 0.672 nan 8.150 nan 0.000 0.493 1137 P HA -0.060 nan 4.420 nan 0.000 0.234 1137 P C 0.655 177.924 177.300 -0.052 0.000 1.167 1137 P CA 0.997 64.075 63.100 -0.036 0.000 0.763 1137 P CB -0.253 31.426 31.700 -0.035 0.000 0.835 1138 T N 0.857 115.395 114.554 -0.028 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.659 173.028 174.700 -0.021 0.000 0.938 1138 T CA -1.707 60.382 62.100 -0.018 0.000 1.119 1138 T CB 0.373 69.258 68.868 0.029 0.000 0.891 1138 T HN -0.119 nan 8.240 nan 0.000 0.526 1139 P HA -0.078 nan 4.420 nan 0.000 0.224 1139 P C 0.105 177.375 177.300 -0.050 0.000 0.880 1139 P CA 0.847 63.914 63.100 -0.055 0.000 1.070 1139 P CB 0.180 31.857 31.700 -0.038 0.000 0.652 1140 I N -2.263 118.295 120.570 -0.020 0.000 2.545 1140 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 1140 I C 0.643 176.840 176.117 0.133 0.000 1.040 1140 I CA -1.013 60.288 61.300 0.001 0.000 1.068 1140 I CB 1.791 39.729 38.000 -0.104 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.343 114.233 108.800 0.150 0.000 2.527 1141 G HA2 0.068 4.028 3.960 -0.000 0.000 0.279 1141 G HA3 0.068 4.028 3.960 -0.000 0.000 0.279 1141 G C 0.475 175.490 174.900 0.191 0.000 1.374 1141 G CA -0.136 45.076 45.100 0.186 0.000 1.053 1141 G HN 0.799 nan 8.290 nan 0.000 0.539 1142 M N -1.803 117.808 119.600 0.017 0.000 2.453 1142 M HA 0.439 4.919 4.480 -0.000 0.000 0.239 1142 M C -0.182 175.912 176.300 -0.342 0.000 1.151 1142 M CA 0.283 55.462 55.300 -0.202 0.000 0.989 1142 M CB 0.384 32.738 32.600 -0.410 0.000 1.548 1142 M HN 0.334 nan 8.290 nan 0.000 0.479 1143 Y N 0.355 120.710 120.300 0.092 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.872 177.866 175.900 0.157 0.000 1.110 1143 Y CA -0.331 57.824 58.100 0.091 0.000 1.251 1143 Y CB -0.052 38.442 38.460 0.056 0.000 1.178 1143 Y HN 0.425 nan 8.280 nan 0.000 0.540 1144 A N 0.031 123.018 122.820 0.279 0.000 1.883 1144 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 1144 A C 2.075 179.865 177.584 0.344 0.000 1.186 1144 A CA 1.587 53.825 52.037 0.335 0.000 0.624 1144 A CB -0.581 18.587 19.000 0.280 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.348 121.026 121.223 0.252 0.000 1.990 1145 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 1145 L C 2.569 179.570 176.870 0.217 0.000 1.072 1145 L CA 2.551 57.526 54.840 0.225 0.000 0.755 1145 L CB -0.761 41.393 42.059 0.159 0.000 0.889 1145 L HN 0.508 nan 8.230 nan 0.000 0.432 1146 R N 0.070 120.695 120.500 0.209 0.000 2.080 1146 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 1146 R C 2.159 178.547 176.300 0.147 0.000 1.137 1146 R CA 2.015 58.213 56.100 0.163 0.000 0.943 1146 R CB -0.502 29.908 30.300 0.184 0.000 0.846 1146 R HN 0.527 nan 8.270 nan 0.000 0.431 1147 E N -1.215 119.121 120.200 0.226 0.000 2.106 1147 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 1147 E C 1.694 178.397 176.600 0.172 0.000 0.984 1147 E CA 1.253 57.802 56.400 0.247 0.000 0.806 1147 E CB -0.327 29.601 29.700 0.378 0.000 0.750 1147 E HN 0.377 nan 8.360 nan 0.000 0.458 1148 Y N 1.592 121.845 120.300 -0.080 0.000 2.089 1148 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 1148 Y C 1.906 177.589 175.900 -0.361 0.000 1.139 1148 Y CA 1.395 59.111 58.100 -0.641 0.000 1.123 1148 Y CB -0.432 37.714 38.460 -0.524 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.745 120.293 121.223 -0.310 0.000 2.127 1149 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 1149 L C 2.766 179.490 176.870 -0.244 0.000 1.089 1149 L CA 1.687 56.318 54.840 -0.349 0.000 0.757 1149 L CB -0.838 41.138 42.059 -0.138 0.000 0.899 1149 L HN 0.254 nan 8.230 nan 0.000 0.434 1150 S N -0.465 115.153 115.700 -0.136 0.000 2.406 1150 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 1150 S C 2.056 176.598 174.600 -0.096 0.000 1.020 1150 S CA 1.059 59.211 58.200 -0.081 0.000 0.965 1150 S CB 0.055 63.246 63.200 -0.015 0.000 0.798 1150 S HN 0.436 nan 8.310 nan 0.000 0.488 1151 A N 1.478 124.217 122.820 -0.135 0.000 1.874 1151 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 1151 A C 2.201 179.689 177.584 -0.160 0.000 1.189 1151 A CA 1.182 53.156 52.037 -0.105 0.000 0.615 1151 A CB -0.647 18.310 19.000 -0.072 0.000 0.830 1151 A HN 0.546 nan 8.150 nan 0.000 0.443 1152 R N -0.406 119.909 120.500 -0.308 0.000 2.075 1152 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 1152 R C 2.546 178.734 176.300 -0.187 0.000 1.126 1152 R CA 1.554 57.481 56.100 -0.288 0.000 0.963 1152 R CB -0.301 29.692 30.300 -0.512 0.000 0.858 1152 R HN 0.529 nan 8.270 nan 0.000 0.435 1153 S N -0.542 115.046 115.700 -0.187 0.000 2.365 1153 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 1153 S C 1.712 176.264 174.600 -0.079 0.000 1.039 1153 S CA 2.125 60.253 58.200 -0.120 0.000 1.033 1153 S CB -0.361 62.776 63.200 -0.105 0.000 0.887 1153 S HN 0.474 nan 8.310 nan 0.000 0.447 1154 T N 1.269 115.781 114.554 -0.070 0.000 2.833 1154 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 1154 T C 1.725 176.402 174.700 -0.038 0.000 1.054 1154 T CA 1.458 63.531 62.100 -0.044 0.000 1.135 1154 T CB -0.269 68.579 68.868 -0.033 0.000 0.869 1154 T HN 0.318 nan 8.240 nan 0.000 0.466 1155 V N 1.063 120.949 119.914 -0.047 0.000 2.788 1155 V HA 0.012 4.132 4.120 -0.000 0.000 0.251 1155 V C 2.191 178.267 176.094 -0.030 0.000 1.068 1155 V CA 1.048 63.327 62.300 -0.034 0.000 1.090 1155 V CB -0.405 31.397 31.823 -0.036 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.120 120.054 120.200 -0.042 0.000 2.418 1156 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1156 E C 1.464 178.049 176.600 -0.026 0.000 1.026 1156 E CA 0.671 57.051 56.400 -0.033 0.000 0.862 1156 E CB 0.024 29.695 29.700 -0.047 0.000 0.799 1156 E HN 0.564 nan 8.360 nan 0.000 0.518 1157 D N 0.403 120.787 120.400 -0.027 0.000 2.271 1157 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 1157 D C 1.443 177.734 176.300 -0.015 0.000 0.967 1157 D CA 0.667 54.654 54.000 -0.021 0.000 0.867 1157 D CB 0.324 41.111 40.800 -0.022 0.000 0.960 1157 D HN 0.108 nan 8.370 nan 0.000 0.509 1158 K N 0.141 120.533 120.400 -0.014 0.000 2.186 1158 K HA 0.110 4.430 4.320 -0.000 0.000 0.202 1158 K C 2.186 178.783 176.600 -0.006 0.000 1.052 1158 K CA 0.292 56.573 56.287 -0.009 0.000 0.965 1158 K CB 0.432 32.927 32.500 -0.009 0.000 0.746 1158 K HN 0.075 nan 8.250 nan 0.000 0.457 1159 L N 0.698 121.918 121.223 -0.004 0.000 2.095 1159 L HA -0.060 4.280 4.340 -0.000 0.000 0.204 1159 L C 2.223 179.094 176.870 0.000 0.000 1.080 1159 L CA 0.867 55.708 54.840 0.002 0.000 0.759 1159 L CB -0.257 41.807 42.059 0.009 0.000 0.914 1159 L HN 0.139 nan 8.230 nan 0.000 0.439 1160 L N -1.199 120.022 121.223 -0.004 0.000 2.049 1160 L HA 0.054 4.394 4.340 -0.000 0.000 0.203 1160 L C 1.713 178.580 176.870 -0.006 0.000 1.074 1160 L CA 1.190 56.027 54.840 -0.005 0.000 0.749 1160 L CB -0.553 41.501 42.059 -0.009 0.000 0.907 1160 L HN 0.490 nan 8.230 nan 0.000 0.439 1161 G N -0.970 107.826 108.800 -0.007 0.000 3.146 1161 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 1161 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 1161 G C -0.001 174.894 174.900 -0.008 0.000 1.853 1161 G CA -0.300 44.796 45.100 -0.007 0.000 1.465 1161 G HN 0.246 nan 8.290 nan 0.000 0.537 1162 V N 1.597 121.506 119.914 -0.008 0.000 2.947 1162 V HA 0.337 4.457 4.120 -0.000 0.000 0.432 1162 V C -0.544 175.546 176.094 -0.007 0.000 0.788 1162 V CA 0.694 62.989 62.300 -0.008 0.000 1.882 1162 V CB 0.426 32.244 31.823 -0.009 0.000 2.351 1162 V HN 1.927 nan 8.190 nan 0.000 0.471 1163 D N 1.531 121.927 120.400 -0.007 0.000 2.831 1163 D HA 1.011 5.651 4.640 -0.000 0.000 0.240 1163 D C 0.047 176.344 176.300 -0.006 0.000 1.183 1163 D CA -0.009 53.987 54.000 -0.006 0.000 1.079 1163 D CB 2.104 42.901 40.800 -0.006 0.000 1.262 1163 D HN 2.247 nan 8.370 nan 0.000 0.634 1164 A N -1.498 121.319 122.820 -0.005 0.000 2.332 1164 A HA 0.467 4.787 4.320 -0.000 0.000 0.293 1164 A C -1.782 175.799 177.584 -0.004 0.000 1.014 1164 A CA -0.673 51.361 52.037 -0.005 0.000 0.566 1164 A CB 0.299 19.297 19.000 -0.004 0.000 1.483 1164 A HN 0.460 nan 8.150 nan 0.000 0.603 1165 E N 0.249 120.447 120.200 -0.004 0.000 2.314 1165 E HA 0.671 5.021 4.350 -0.000 0.000 0.272 1165 E C -1.538 175.060 176.600 -0.003 0.000 0.884 1165 E CA 0.449 56.847 56.400 -0.003 0.000 0.753 1165 E CB 1.956 31.654 29.700 -0.003 0.000 1.213 1165 E HN 1.820 nan 8.360 nan 0.000 0.432 1166 S N 0.295 115.993 115.700 -0.003 0.000 2.777 1166 S HA 0.049 4.519 4.470 -0.000 0.000 0.851 1166 S C 0.430 175.028 174.600 -0.003 0.000 0.780 1166 S CA 0.078 58.276 58.200 -0.003 0.000 1.556 1166 S CB -1.433 61.766 63.200 -0.002 0.000 1.114 1166 S HN 1.183 nan 8.310 nan 0.000 0.404 1167 G N 3.042 111.841 108.800 -0.003 0.000 2.882 1167 G HA2 0.165 4.125 3.960 -0.000 0.000 0.198 1167 G HA3 0.165 4.125 3.960 -0.000 0.000 0.198 1167 G C -0.485 174.414 174.900 -0.003 0.000 1.977 1167 G CA 0.424 45.523 45.100 -0.002 0.000 1.541 1167 G HN 2.120 nan 8.290 nan 0.000 0.567 1168 K N -0.896 119.503 120.400 -0.003 0.000 2.560 1168 K HA 0.550 4.870 4.320 -0.000 0.000 0.276 1168 K C 0.282 176.880 176.600 -0.003 0.000 1.025 1168 K CA 0.278 56.563 56.287 -0.003 0.000 0.974 1168 K CB 0.709 33.208 32.500 -0.003 0.000 1.347 1168 K HN 0.162 nan 8.250 nan 0.000 0.447 1169 T N 1.261 115.813 114.554 -0.004 0.000 2.802 1169 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 1169 T C 0.833 175.530 174.700 -0.004 0.000 1.062 1169 T CA 1.219 63.317 62.100 -0.004 0.000 1.133 1169 T CB -0.170 68.695 68.868 -0.005 0.000 0.852 1169 T HN 0.422 nan 8.240 nan 0.000 0.485 1170 K N -0.006 120.392 120.400 -0.004 0.000 2.633 1170 K HA 0.343 4.663 4.320 -0.000 0.000 0.283 1170 K C 1.604 178.201 176.600 -0.004 0.000 1.081 1170 K CA 0.693 56.977 56.287 -0.004 0.000 0.923 1170 K CB -0.212 32.286 32.500 -0.003 0.000 1.110 1170 K HN 0.366 nan 8.250 nan 0.000 0.480 1171 G N -1.331 107.466 108.800 -0.004 0.000 4.460 1171 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.182 1171 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.182 1171 G C -0.119 174.778 174.900 -0.005 0.000 1.512 1171 G CA -0.017 45.080 45.100 -0.005 0.000 0.856 1171 G HN 0.662 nan 8.290 nan 0.000 0.289 1172 G N 0.358 109.154 108.800 -0.005 0.000 2.788 1172 G HA2 0.629 4.589 3.960 -0.000 0.000 0.327 1172 G HA3 0.629 4.589 3.960 -0.000 0.000 0.327 1172 G C 0.331 175.229 174.900 -0.005 0.000 1.249 1172 G CA 0.135 45.232 45.100 -0.005 0.000 1.063 1172 G HN 1.645 nan 8.290 nan 0.000 0.497 1173 G N -0.282 108.516 108.800 -0.004 0.000 4.275 1173 G HA2 0.402 4.362 3.960 -0.000 0.000 0.226 1173 G HA3 0.402 4.362 3.960 -0.000 0.000 0.226 1173 G C -0.196 174.703 174.900 -0.002 0.000 1.391 1173 G CA 0.407 45.506 45.100 -0.003 0.000 1.225 1173 G HN 1.388 nan 8.290 nan 0.000 0.627 1174 S N -0.828 114.871 115.700 -0.001 0.000 2.923 1174 S HA -0.041 4.429 4.470 -0.000 0.000 0.324 1174 S C 0.880 175.481 174.600 0.002 0.000 0.592 1174 S CA 0.105 58.306 58.200 0.000 0.000 1.354 1174 S CB -0.699 62.501 63.200 -0.000 0.000 0.992 1174 S HN 0.589 nan 8.310 nan 0.000 0.677 1175 Q N 1.753 121.554 119.800 0.001 0.000 1.224 1175 Q HA 0.204 4.544 4.340 -0.000 0.000 0.719 1175 Q C 0.686 176.687 176.000 0.003 0.000 0.890 1175 Q CA 0.617 56.422 55.803 0.002 0.000 0.894 1175 Q CB -0.246 28.493 28.738 0.002 0.000 1.169 1175 Q HN 1.000 nan 8.270 nan 0.000 0.295 1176 S N 2.042 117.743 115.700 0.002 0.000 4.488 1176 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 1176 S C -1.724 172.877 174.600 0.002 0.000 0.639 1176 S CA -0.099 58.101 58.200 0.001 0.000 1.265 1176 S CB 0.199 63.398 63.200 -0.001 0.000 2.200 1176 S HN 0.299 nan 8.310 nan 0.000 0.336 1177 P HA -0.055 nan 4.420 nan 0.000 0.220 1177 P C 1.284 178.583 177.300 -0.000 0.000 1.148 1177 P CA 1.135 64.237 63.100 0.004 0.000 0.803 1177 P CB -0.094 31.608 31.700 0.004 0.000 0.782 1178 S N -0.101 115.597 115.700 -0.003 0.000 2.406 1178 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 1178 S C 1.817 176.409 174.600 -0.012 0.000 1.020 1178 S CA 0.474 58.669 58.200 -0.008 0.000 0.965 1178 S CB -0.997 62.200 63.200 -0.006 0.000 0.798 1178 S HN 0.081 nan 8.310 nan 0.000 0.488 1179 L N 1.478 122.697 121.223 -0.007 0.000 2.191 1179 L HA 0.039 4.379 4.340 -0.000 0.000 0.212 1179 L C 1.881 178.745 176.870 -0.010 0.000 1.103 1179 L CA 1.192 56.027 54.840 -0.008 0.000 0.769 1179 L CB -0.437 41.619 42.059 -0.004 0.000 0.908 1179 L HN 0.269 nan 8.230 nan 0.000 0.438 1180 L N -1.295 119.926 121.223 -0.003 0.000 2.131 1180 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 1180 L C 2.129 178.982 176.870 -0.029 0.000 1.087 1180 L CA 1.588 56.433 54.840 0.008 0.000 0.767 1180 L CB -0.418 41.658 42.059 0.028 0.000 0.917 1180 L HN 0.230 nan 8.230 nan 0.000 0.441 1181 L N -0.576 120.621 121.223 -0.044 0.000 2.201 1181 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 1181 L C 2.465 179.265 176.870 -0.118 0.000 1.105 1181 L CA 1.206 55.993 54.840 -0.088 0.000 0.775 1181 L CB -0.433 41.594 42.059 -0.054 0.000 0.913 1181 L HN 0.429 nan 8.230 nan 0.000 0.440 1182 E N 0.463 120.619 120.200 -0.074 0.000 2.152 1182 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 1182 E C 2.159 178.711 176.600 -0.081 0.000 0.983 1182 E CA 0.653 57.018 56.400 -0.059 0.000 0.818 1182 E CB 0.109 29.793 29.700 -0.027 0.000 0.758 1182 E HN 0.313 nan 8.360 nan 0.000 0.467 1183 L N 1.101 122.266 121.223 -0.096 0.000 2.201 1183 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 1183 L C 2.335 179.057 176.870 -0.246 0.000 1.105 1183 L CA 1.559 56.346 54.840 -0.089 0.000 0.775 1183 L CB -0.259 41.799 42.059 -0.002 0.000 0.913 1183 L HN -0.018 nan 8.230 nan 0.000 0.440 1184 R N -1.366 118.835 120.500 -0.497 0.000 2.119 1184 R HA -0.148 4.192 4.340 -0.000 0.000 0.222 1184 R C 2.244 178.305 176.300 -0.398 0.000 1.088 1184 R CA 1.128 56.682 56.100 -0.911 0.000 0.984 1184 R CB -0.090 29.652 30.300 -0.930 0.000 0.884 1184 R HN 0.357 nan 8.270 nan 0.000 0.447 1185 Q N 0.717 120.391 119.800 -0.209 0.000 2.137 1185 Q HA 0.036 4.376 4.340 -0.000 0.000 0.198 1185 Q C 1.847 177.856 176.000 0.016 0.000 0.960 1185 Q CA 1.353 57.107 55.803 -0.083 0.000 0.847 1185 Q CB -0.012 28.701 28.738 -0.043 0.000 0.915 1185 Q HN 0.416 nan 8.270 nan 0.000 0.448 1186 I N 0.759 121.352 120.570 0.038 0.000 2.423 1186 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 1186 I C 1.073 177.334 176.117 0.239 0.000 1.151 1186 I CA 1.180 62.577 61.300 0.162 0.000 1.421 1186 I CB -0.213 37.832 38.000 0.075 0.000 1.079 1186 I HN 0.206 nan 8.210 nan 0.000 0.431 1187 D N 0.767 121.249 120.400 0.138 0.000 2.213 1187 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 1187 D C 2.241 178.591 176.300 0.083 0.000 0.961 1187 D CA 1.182 55.278 54.000 0.161 0.000 0.853 1187 D CB 0.112 41.011 40.800 0.165 0.000 0.967 1187 D HN 0.302 nan 8.370 nan 0.000 0.496 1188 A N 1.210 124.041 122.820 0.017 0.000 1.897 1188 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1188 A C 1.839 179.509 177.584 0.144 0.000 1.181 1188 A CA 1.268 53.275 52.037 -0.051 0.000 0.620 1188 A CB -0.219 18.667 19.000 -0.191 0.000 0.821 1188 A HN -0.031 nan 8.150 nan 0.000 0.443 1189 D N -0.389 120.104 120.400 0.153 0.000 2.078 1189 D HA -0.122 4.519 4.640 -0.000 0.000 0.193 1189 D C 1.432 177.795 176.300 0.105 0.000 0.990 1189 D CA 1.180 55.265 54.000 0.141 0.000 0.827 1189 D CB -0.598 40.281 40.800 0.132 0.000 0.975 1189 D HN 0.387 nan 8.370 nan 0.000 0.451 1190 F N 0.220 120.157 119.950 -0.021 0.000 2.529 1190 F HA -0.109 4.418 4.527 0.000 0.000 0.297 1190 F C 2.215 177.922 175.800 -0.155 0.000 1.114 1190 F CA 0.627 58.561 58.000 -0.111 0.000 1.467 1190 F CB -0.081 38.786 39.000 -0.220 0.000 1.096 1190 F HN -0.029 nan 8.300 nan 0.000 0.586 1191 M N -1.776 117.868 119.600 0.074 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.068 178.371 176.300 0.004 0.000 1.152 1191 M CA 0.694 56.015 55.300 0.034 0.000 1.145 1191 M CB -0.773 31.890 32.600 0.106 0.000 1.333 1191 M HN 0.224 nan 8.290 nan 0.000 0.477 1192 L N 0.885 122.126 121.223 0.031 0.000 2.131 1192 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 1192 L C 1.977 178.762 176.870 -0.142 0.000 1.087 1192 L CA 1.854 56.631 54.840 -0.104 0.000 0.767 1192 L CB -0.523 41.481 42.059 -0.092 0.000 0.917 1192 L HN 0.129 nan 8.230 nan 0.000 0.441 1193 K N -1.073 119.228 120.400 -0.166 0.000 2.280 1193 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.201 176.600 -0.265 0.000 1.047 1193 K CA 1.249 57.399 56.287 -0.228 0.000 0.942 1193 K CB -0.095 32.198 32.500 -0.345 0.000 0.739 1193 K HN 0.285 nan 8.250 nan 0.000 0.457 1194 V N 0.883 120.629 119.914 -0.280 0.000 2.878 1194 V HA -0.093 4.027 4.120 -0.000 0.000 0.250 1194 V C 1.956 177.904 176.094 -0.244 0.000 1.075 1194 V CA 1.124 63.184 62.300 -0.401 0.000 1.096 1194 V CB -0.150 31.439 31.823 -0.390 0.000 0.724 1194 V HN 0.256 nan 8.190 nan 0.000 0.467 1195 E N 0.566 120.668 120.200 -0.164 0.000 2.015 1195 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 1195 E C 2.252 178.800 176.600 -0.087 0.000 0.991 1195 E CA 1.399 57.731 56.400 -0.113 0.000 0.802 1195 E CB -0.152 29.475 29.700 -0.122 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.634 121.800 121.223 -0.095 0.000 1.970 1196 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 1196 L C 2.729 179.592 176.870 -0.013 0.000 1.071 1196 L CA 1.238 56.044 54.840 -0.057 0.000 0.751 1196 L CB -0.804 41.208 42.059 -0.078 0.000 0.889 1196 L HN 0.137 nan 8.230 nan 0.000 0.432 1197 A N 0.455 123.250 122.820 -0.042 0.000 1.958 1197 A HA -0.273 4.047 4.320 -0.000 0.000 0.221 1197 A C 2.410 180.060 177.584 0.110 0.000 1.178 1197 A CA 2.743 54.804 52.037 0.040 0.000 0.642 1197 A CB -1.079 17.911 19.000 -0.017 0.000 0.816 1197 A HN 0.625 nan 8.150 nan 0.000 0.453 1198 T N -4.353 110.234 114.554 0.055 0.000 2.978 1198 T HA -0.046 4.304 4.350 -0.000 0.000 0.262 1198 T C 1.785 176.504 174.700 0.032 0.000 1.063 1198 T CA 1.642 63.786 62.100 0.074 0.000 1.140 1198 T CB -0.713 68.188 68.868 0.054 0.000 0.886 1198 T HN 0.312 nan 8.240 nan 0.000 0.470 1199 T N 1.166 115.736 114.554 0.027 0.000 2.708 1199 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 1199 T C 1.763 176.490 174.700 0.045 0.000 1.037 1199 T CA 1.842 63.956 62.100 0.023 0.000 1.146 1199 T CB -0.568 68.311 68.868 0.018 0.000 0.865 1199 T HN 0.682 nan 8.240 nan 0.000 0.435 1200 H N 0.690 119.752 119.070 -0.013 0.000 2.389 1200 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 1200 H C 1.944 177.266 175.328 -0.010 0.000 1.081 1200 H CA 0.908 56.951 56.048 -0.009 0.000 1.345 1200 H CB -0.529 29.229 29.762 -0.006 0.000 1.393 1200 H HN 0.152 nan 8.280 nan 0.000 0.520 1201 L N 0.007 121.174 121.223 -0.094 0.000 2.265 1201 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 1201 L C 2.080 178.843 176.870 -0.179 0.000 1.117 1201 L CA 1.342 56.085 54.840 -0.161 0.000 0.782 1201 L CB -0.606 41.426 42.059 -0.046 0.000 0.914 1201 L HN 0.238 nan 8.230 nan 0.000 0.441 1202 S N -1.371 114.256 115.700 -0.121 0.000 2.335 1202 S HA -0.150 4.320 4.470 -0.000 0.000 0.217 1202 S C 1.785 176.320 174.600 -0.108 0.000 1.032 1202 S CA 1.610 59.751 58.200 -0.099 0.000 0.985 1202 S CB -0.520 62.649 63.200 -0.052 0.000 0.896 1202 S HN 0.527 nan 8.310 nan 0.000 0.445 1203 T N 2.591 117.076 114.554 -0.115 0.000 2.624 1203 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 1203 T C 1.874 176.497 174.700 -0.129 0.000 1.041 1203 T CA 1.880 63.920 62.100 -0.099 0.000 1.159 1203 T CB -0.437 68.382 68.868 -0.081 0.000 0.863 1203 T HN 0.196 nan 8.240 nan 0.000 0.434 1204 M N 1.029 120.476 119.600 -0.255 0.000 2.082 1204 M HA -0.095 4.385 4.480 -0.000 0.000 0.258 1204 M C 2.173 178.412 176.300 -0.102 0.000 1.069 1204 M CA 1.450 56.628 55.300 -0.203 0.000 1.102 1204 M CB -0.749 31.667 32.600 -0.306 0.000 1.336 1204 M HN 0.099 nan 8.290 nan 0.000 0.404 1205 V N 0.221 120.050 119.914 -0.142 0.000 2.343 1205 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 1205 V C 2.395 178.513 176.094 0.041 0.000 1.051 1205 V CA 2.031 64.267 62.300 -0.107 0.000 1.036 1205 V CB -0.799 30.874 31.823 -0.250 0.000 0.654 1205 V HN 0.465 nan 8.190 nan 0.000 0.451 1206 R N 0.085 120.591 120.500 0.011 0.000 2.120 1206 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 1206 R C 2.398 178.743 176.300 0.074 0.000 1.123 1206 R CA 1.429 57.559 56.100 0.051 0.000 0.975 1206 R CB -0.568 29.746 30.300 0.023 0.000 0.866 1206 R HN 0.557 nan 8.270 nan 0.000 0.446 1207 A N 0.854 123.707 122.820 0.056 0.000 1.855 1207 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 1207 A C 2.363 180.017 177.584 0.116 0.000 1.191 1207 A CA 1.352 53.432 52.037 0.071 0.000 0.613 1207 A CB -0.574 18.454 19.000 0.047 0.000 0.829 1207 A HN 0.105 nan 8.150 nan 0.000 0.442 1208 V N 0.533 120.533 119.914 0.144 0.000 2.469 1208 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 1208 V C 2.371 178.608 176.094 0.238 0.000 1.064 1208 V CA 1.913 64.338 62.300 0.208 0.000 1.066 1208 V CB -0.869 31.128 31.823 0.290 0.000 0.667 1208 V HN 0.546 nan 8.190 nan 0.000 0.461 1209 I N 0.746 121.453 120.570 0.229 0.000 2.142 1209 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 1209 I C 2.497 178.742 176.117 0.213 0.000 1.078 1209 I CA 2.197 63.621 61.300 0.207 0.000 1.343 1209 I CB -0.596 37.513 38.000 0.181 0.000 1.046 1209 I HN 0.421 nan 8.210 nan 0.000 0.405 1210 N N 1.493 120.293 118.700 0.166 0.000 2.043 1210 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 1210 N C 1.849 177.453 175.510 0.157 0.000 1.037 1210 N CA 1.987 55.124 53.050 0.145 0.000 0.851 1210 N CB -0.194 38.356 38.487 0.105 0.000 1.027 1210 N HN 0.305 nan 8.380 nan 0.000 0.422 1211 A N -0.980 121.933 122.820 0.154 0.000 1.940 1211 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 1211 A C 2.219 179.905 177.584 0.171 0.000 1.176 1211 A CA 1.548 53.669 52.037 0.140 0.000 0.631 1211 A CB -1.187 17.893 19.000 0.135 0.000 0.814 1211 A HN 0.657 nan 8.150 nan 0.000 0.446 1212 Y N 0.146 120.512 120.300 0.110 0.000 2.176 1212 Y HA -0.002 4.548 4.550 0.000 0.000 0.291 1212 Y C 1.911 177.929 175.900 0.196 0.000 1.122 1212 Y CA 1.572 59.749 58.100 0.129 0.000 1.128 1212 Y CB -0.264 38.248 38.460 0.088 0.000 1.005 1212 Y HN 0.163 nan 8.280 nan 0.000 0.509 1213 L N 0.097 121.539 121.223 0.364 0.000 2.263 1213 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 1213 L C 2.022 179.068 176.870 0.294 0.000 1.111 1213 L CA 1.022 56.041 54.840 0.299 0.000 0.773 1213 L CB -0.480 41.733 42.059 0.255 0.000 0.906 1213 L HN 0.396 nan 8.230 nan 0.000 0.439 1214 L N -1.044 120.278 121.223 0.165 0.000 2.189 1214 L HA -0.010 4.330 4.340 -0.000 0.000 0.199 1214 L C 1.736 178.586 176.870 -0.033 0.000 1.074 1214 L CA 0.692 55.582 54.840 0.083 0.000 0.783 1214 L CB -0.308 41.783 42.059 0.052 0.000 0.955 1214 L HN 0.284 nan 8.230 nan 0.000 0.460 1215 N N 0.150 118.812 118.700 -0.063 0.000 2.336 1215 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 1215 N C 1.635 176.991 175.510 -0.257 0.000 1.113 1215 N CA 0.302 53.258 53.050 -0.155 0.000 0.858 1215 N CB 0.112 38.547 38.487 -0.086 0.000 0.970 1215 N HN 0.556 nan 8.380 nan 0.000 0.471 1216 W N 2.462 123.528 121.300 -0.391 0.000 2.325 1216 W HA -0.154 4.506 4.660 0.000 0.000 0.299 1216 W C 1.066 177.422 176.519 -0.271 0.000 1.215 1216 W CA 0.544 57.582 57.345 -0.512 0.000 1.244 1216 W CB -0.794 28.220 29.460 -0.744 0.000 1.140 1216 W HN -0.032 nan 8.180 nan 0.000 0.523 1217 K N 0.661 120.309 120.400 -1.254 0.000 2.032 1217 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 1217 K C 2.148 178.473 176.600 -0.459 0.000 1.048 1217 K CA 1.775 57.422 56.287 -1.066 0.000 0.927 1217 K CB -0.276 31.585 32.500 -1.065 0.000 0.712 1217 K HN -0.074 nan 8.250 nan 0.000 0.441 1218 K N 1.027 121.214 120.400 -0.355 0.000 2.211 1218 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 1218 K C 2.080 178.597 176.600 -0.138 0.000 1.050 1218 K CA 0.805 56.970 56.287 -0.203 0.000 0.945 1218 K CB -0.166 32.236 32.500 -0.163 0.000 0.732 1218 K HN 0.209 nan 8.250 nan 0.000 0.451 1219 L N 0.423 121.566 121.223 -0.133 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.109 178.964 176.870 -0.025 0.000 1.085 1219 L CA 0.777 55.580 54.840 -0.062 0.000 0.755 1219 L CB -0.307 41.727 42.059 -0.041 0.000 0.904 1219 L HN 0.066 nan 8.230 nan 0.000 0.435 1220 I N -1.217 119.343 120.570 -0.016 0.000 2.494 1220 I HA -0.057 4.113 4.170 -0.000 0.000 0.250 1220 I C 0.984 177.091 176.117 -0.018 0.000 1.112 1220 I CA 0.903 62.215 61.300 0.020 0.000 1.438 1220 I CB -0.438 37.611 38.000 0.082 0.000 1.111 1220 I HN 0.257 nan 8.210 nan 0.000 0.431 1221 Q N 2.052 121.815 119.800 -0.062 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.626 174.329 176.000 -0.075 0.000 1.120 1221 Q CA -1.654 54.110 55.803 -0.065 0.000 0.972 1221 Q CB 1.251 29.939 28.738 -0.083 0.000 1.173 1221 Q HN 0.262 nan 8.270 nan 0.000 0.522 1222 P HA -0.118 nan 4.420 nan 0.000 0.218 1222 P C -0.048 177.223 177.300 -0.048 0.000 1.149 1222 P CA 0.883 63.951 63.100 -0.054 0.000 0.817 1222 P CB 0.735 32.410 31.700 -0.042 0.000 0.785 1223 R N -0.425 120.049 120.500 -0.043 0.000 2.628 1223 R HA 0.427 4.767 4.340 -0.000 0.000 0.288 1223 R C -0.383 175.892 176.300 -0.043 0.000 0.980 1223 R CA -0.402 55.673 56.100 -0.041 0.000 0.891 1223 R CB 1.841 32.120 30.300 -0.034 0.000 1.188 1223 R HN -0.073 nan 8.270 nan 0.000 0.450 1224 T N -0.675 113.852 114.554 -0.044 0.000 3.053 1224 T HA 0.373 4.723 4.350 -0.000 0.000 0.363 1224 T C 0.580 175.254 174.700 -0.044 0.000 1.239 1224 T CA -0.834 61.242 62.100 -0.040 0.000 1.071 1224 T CB 1.175 70.020 68.868 -0.038 0.000 1.089 1224 T HN 0.659 nan 8.240 nan 0.000 0.527 1225 G N 1.991 110.763 108.800 -0.047 0.000 2.414 1225 G HA2 0.423 4.383 3.960 -0.000 0.000 0.236 1225 G HA3 0.423 4.383 3.960 -0.000 0.000 0.236 1225 G C 0.115 174.957 174.900 -0.097 0.000 1.293 1225 G CA -0.248 44.812 45.100 -0.067 0.000 0.869 1225 G HN 1.656 nan 8.290 nan 0.000 0.556 1226 S N 0.396 115.988 115.700 -0.180 0.000 2.465 1226 S HA 0.147 4.617 4.470 -0.000 0.000 0.186 1226 S C -1.425 172.798 174.600 -0.627 0.000 0.839 1226 S CA -0.956 57.001 58.200 -0.404 0.000 1.037 1226 S CB 0.811 63.861 63.200 -0.250 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.799 122.914 120.400 -0.474 0.000 2.500 1227 D HA 0.338 4.978 4.640 -0.000 0.000 0.219 1227 D C 0.849 176.983 176.300 -0.277 0.000 1.137 1227 D CA -0.409 53.406 54.000 -0.308 0.000 0.946 1227 D CB 0.306 41.018 40.800 -0.146 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.082 120.145 119.070 -0.012 0.000 2.582 1228 H HA 0.149 4.705 4.556 -0.000 0.000 0.269 1228 H C 1.517 176.839 175.328 -0.010 0.000 0.962 1228 H CA 0.474 56.515 56.048 -0.011 0.000 1.230 1228 H CB 0.346 30.101 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.603 120.245 119.600 0.071 0.000 2.191 1229 M HA 0.014 4.494 4.480 -0.000 0.000 0.262 1229 M C 0.766 177.076 176.300 0.017 0.000 1.083 1229 M CA 0.598 55.922 55.300 0.039 0.000 1.154 1229 M CB 0.223 32.835 32.600 0.021 0.000 1.344 1229 M HN -0.179 nan 8.290 nan 0.000 0.431 1230 V N 1.511 121.423 119.914 -0.003 0.000 2.775 1230 V HA 0.329 4.449 4.120 -0.000 0.000 0.299 1230 V C 0.255 176.348 176.094 -0.003 0.000 1.062 1230 V CA -0.292 62.004 62.300 -0.008 0.000 1.063 1230 V CB 0.763 32.575 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 0.002 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