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_n 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 1.324 178.628 177.300 0.007 0.000 1.168 1003 P CA 0.653 63.756 63.100 0.006 0.000 0.793 1003 P CB 0.971 32.674 31.700 0.005 0.000 0.851 1004 K N 0.555 120.959 120.400 0.007 0.000 2.137 1004 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 1004 K C 2.288 178.893 176.600 0.008 0.000 1.052 1004 K CA 0.417 56.708 56.287 0.008 0.000 0.961 1004 K CB 0.057 32.562 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.072 120.577 120.500 0.008 0.000 2.148 1005 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 1005 R C 2.221 178.526 176.300 0.009 0.000 1.103 1005 R CA 1.141 57.246 56.100 0.008 0.000 0.983 1005 R CB -0.182 30.123 30.300 0.007 0.000 0.874 1005 R HN 0.195 nan 8.270 nan 0.000 0.451 1006 A N 1.088 123.913 122.820 0.008 0.000 1.929 1006 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 1006 A C 2.322 179.913 177.584 0.011 0.000 1.176 1006 A CA 1.349 53.391 52.037 0.009 0.000 0.628 1006 A CB -0.508 18.496 19.000 0.008 0.000 0.816 1006 A HN 0.359 nan 8.150 nan 0.000 0.444 1007 A N 0.199 123.025 122.820 0.011 0.000 1.845 1007 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 1007 A C 2.155 179.748 177.584 0.015 0.000 1.195 1007 A CA 1.547 53.591 52.037 0.013 0.000 0.616 1007 A CB -0.823 18.184 19.000 0.012 0.000 0.832 1007 A HN 0.460 nan 8.150 nan 0.000 0.443 1008 L N -0.493 120.738 121.223 0.014 0.000 1.997 1008 L HA -0.267 4.072 4.340 -0.000 0.000 0.216 1008 L C 2.557 179.438 176.870 0.018 0.000 1.074 1008 L CA 1.818 56.667 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 0.415 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 2.631 178.760 176.117 0.021 0.000 1.133 1009 I CA 0.913 62.222 61.300 0.015 0.000 1.413 1009 I CB -0.195 37.812 38.000 0.012 0.000 1.073 1009 I HN 0.358 nan 8.210 nan 0.000 0.424 1010 Q N 1.557 121.370 119.800 0.021 0.000 2.016 1010 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 1010 Q C 1.918 177.937 176.000 0.032 0.000 0.978 1010 Q CA 1.789 57.606 55.803 0.024 0.000 0.833 1010 Q CB -0.206 28.544 28.738 0.020 0.000 0.895 1010 Q HN 0.397 nan 8.270 nan 0.000 0.427 1011 N N 0.145 118.864 118.700 0.032 0.000 2.149 1011 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 1011 N C 1.786 177.331 175.510 0.059 0.000 1.019 1011 N CA 1.105 54.179 53.050 0.040 0.000 0.857 1011 N CB -0.356 38.152 38.487 0.035 0.000 0.997 1011 N HN 0.281 nan 8.380 nan 0.000 0.426 1012 L N 1.007 122.262 121.223 0.054 0.000 1.989 1012 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 1012 L C 2.274 179.203 176.870 0.097 0.000 1.071 1012 L CA 1.377 56.257 54.840 0.066 0.000 0.749 1012 L CB -0.168 41.908 42.059 0.028 0.000 0.890 1012 L HN 0.142 nan 8.230 nan 0.000 0.431 1013 R N -0.533 120.010 120.500 0.071 0.000 2.280 1013 R HA -0.096 4.244 4.340 -0.000 0.000 0.207 1013 R C 1.323 177.678 176.300 0.091 0.000 1.043 1013 R CA 0.661 56.810 56.100 0.082 0.000 1.006 1013 R CB -0.116 30.216 30.300 0.054 0.000 0.885 1013 R HN 0.434 nan 8.270 nan 0.000 0.467 1014 D N -0.441 120.006 120.400 0.078 0.000 2.305 1014 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 1014 D C 1.440 177.773 176.300 0.056 0.000 0.974 1014 D CA 0.783 54.817 54.000 0.057 0.000 0.871 1014 D CB 0.307 41.130 40.800 0.038 0.000 0.947 1014 D HN 0.014 nan 8.370 nan 0.000 0.516 1015 S N -0.169 115.594 115.700 0.105 0.000 2.406 1015 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 1015 S C 0.249 174.835 174.600 -0.024 0.000 1.020 1015 S CA 0.588 58.836 58.200 0.080 0.000 0.965 1015 S CB 0.080 63.415 63.200 0.225 0.000 0.798 1015 S HN 0.240 nan 8.310 nan 0.000 0.488 1016 Y N 2.237 122.542 120.300 0.007 0.000 2.787 1016 Y HA 0.322 4.871 4.550 -0.000 0.000 0.352 1016 Y C 0.756 176.665 175.900 0.016 0.000 1.027 1016 Y CA -1.309 56.795 58.100 0.006 0.000 1.219 1016 Y CB -0.009 38.454 38.460 0.005 0.000 1.110 1016 Y HN 0.071 nan 8.280 nan 0.000 0.614 1017 T N -3.240 111.371 114.554 0.095 0.000 2.771 1017 T HA 0.095 4.445 4.350 -0.000 0.000 0.290 1017 T C 1.268 176.024 174.700 0.094 0.000 1.005 1017 T CA -0.480 61.670 62.100 0.084 0.000 0.944 1017 T CB 1.111 70.006 68.868 0.046 0.000 1.147 1017 T HN 0.472 nan 8.240 nan 0.000 0.534 1018 E N 0.003 120.262 120.200 0.098 0.000 2.204 1018 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1018 E C 1.983 178.642 176.600 0.098 0.000 0.989 1018 E CA 1.202 57.678 56.400 0.126 0.000 0.824 1018 E CB -0.710 29.069 29.700 0.131 0.000 0.756 1018 E HN 0.781 nan 8.360 nan 0.000 0.477 1019 T N 0.376 114.967 114.554 0.060 0.000 2.788 1019 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 1019 T C 2.016 176.730 174.700 0.023 0.000 1.044 1019 T CA 1.387 63.525 62.100 0.063 0.000 1.139 1019 T CB -0.128 68.757 68.868 0.028 0.000 0.867 1019 T HN 0.108 nan 8.240 nan 0.000 0.454 1020 S N 1.867 117.561 115.700 -0.009 0.000 2.356 1020 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 1020 S C 2.536 177.079 174.600 -0.095 0.000 1.032 1020 S CA 1.510 59.670 58.200 -0.066 0.000 1.005 1020 S CB -0.442 62.713 63.200 -0.075 0.000 0.867 1020 S HN 0.763 nan 8.310 nan 0.000 0.449 1021 S N 1.191 116.859 115.700 -0.054 0.000 2.414 1021 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 1021 S C 1.632 176.047 174.600 -0.308 0.000 1.022 1021 S CA 0.474 58.570 58.200 -0.173 0.000 0.958 1021 S CB -0.650 62.510 63.200 -0.067 0.000 0.797 1021 S HN 0.418 nan 8.310 nan 0.000 0.493 1022 F N 3.279 123.052 119.950 -0.295 0.000 2.234 1022 F HA 0.237 4.764 4.527 -0.000 0.000 0.299 1022 F C 2.412 178.021 175.800 -0.317 0.000 1.087 1022 F CA 0.227 58.032 58.000 -0.325 0.000 1.340 1022 F CB -1.005 37.874 39.000 -0.202 0.000 1.031 1022 F HN 0.284 nan 8.300 nan 0.000 0.500 1023 A N -0.094 122.482 122.820 -0.406 0.000 1.933 1023 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 1023 A C 2.323 179.615 177.584 -0.486 0.000 1.175 1023 A CA 1.943 53.704 52.037 -0.459 0.000 0.628 1023 A CB -1.367 17.475 19.000 -0.263 0.000 0.814 1023 A HN 0.237 nan 8.150 nan 0.000 0.444 1024 V N 0.580 120.190 119.914 -0.505 0.000 2.407 1024 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 1024 V C 2.375 177.886 176.094 -0.972 0.000 1.055 1024 V CA 1.650 63.542 62.300 -0.680 0.000 1.049 1024 V CB -0.699 30.681 31.823 -0.739 0.000 0.662 1024 V HN 0.515 nan 8.190 nan 0.000 0.455 1025 I N 0.050 120.116 120.570 -0.841 0.000 2.353 1025 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 1025 I C 2.505 178.377 176.117 -0.408 0.000 1.119 1025 I CA 1.408 62.316 61.300 -0.653 0.000 1.417 1025 I CB -1.152 36.553 38.000 -0.493 0.000 1.078 1025 I HN 0.452 nan 8.210 nan 0.000 0.421 1026 E N 0.515 120.394 120.200 -0.535 0.000 2.077 1026 E HA -0.269 4.080 4.350 -0.000 0.000 0.193 1026 E C 2.021 178.500 176.600 -0.201 0.000 0.989 1026 E CA 1.227 57.391 56.400 -0.394 0.000 0.800 1026 E CB -0.027 29.347 29.700 -0.545 0.000 0.746 1026 E HN 0.334 nan 8.360 nan 0.000 0.452 1027 E N 0.472 120.551 120.200 -0.202 0.000 2.058 1027 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 1027 E C 1.519 178.205 176.600 0.142 0.000 0.997 1027 E CA 1.334 57.709 56.400 -0.041 0.000 0.801 1027 E CB -0.273 29.408 29.700 -0.032 0.000 0.746 1027 E HN 0.289 nan 8.360 nan 0.000 0.450 1028 W N 0.562 121.788 121.300 -0.124 0.000 2.425 1028 W HA 0.143 4.803 4.660 -0.000 0.000 0.277 1028 W C 2.369 178.843 176.519 -0.075 0.000 1.231 1028 W CA 0.916 58.206 57.345 -0.092 0.000 1.248 1028 W CB -1.245 28.160 29.460 -0.092 0.000 1.117 1028 W HN 0.253 nan 8.180 nan 0.000 0.568 1029 A N 0.025 122.926 122.820 0.135 0.000 1.902 1029 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 1029 A C 2.108 179.715 177.584 0.038 0.000 1.181 1029 A CA 2.780 54.855 52.037 0.064 0.000 0.623 1029 A CB -0.828 18.178 19.000 0.010 0.000 0.818 1029 A HN 0.123 nan 8.150 nan 0.000 0.443 1030 A N -1.527 121.306 122.820 0.021 0.000 2.283 1030 A HA 0.486 4.806 4.320 -0.000 0.000 0.225 1030 A C 2.330 179.921 177.584 0.011 0.000 2.109 1030 A CA 1.096 53.138 52.037 0.007 0.000 0.889 1030 A CB -1.353 17.640 19.000 -0.012 0.000 1.437 1030 A HN 0.738 nan 8.150 nan 0.000 0.595 1031 G N -0.283 108.521 108.800 0.007 0.000 2.672 1031 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 1031 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 1031 G C 1.496 176.399 174.900 0.006 0.000 1.238 1031 G CA 2.185 47.288 45.100 0.005 0.000 0.791 1031 G HN 0.457 nan 8.290 nan 0.000 0.606 1032 T N 1.074 115.644 114.554 0.027 0.000 2.803 1032 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 1032 T C 2.359 177.023 174.700 -0.059 0.000 1.052 1032 T CA 0.970 63.056 62.100 -0.023 0.000 1.136 1032 T CB -0.136 68.707 68.868 -0.041 0.000 0.864 1032 T HN 0.130 nan 8.240 nan 0.000 0.467 1033 L N 0.320 121.527 121.223 -0.028 0.000 2.072 1033 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 1033 L C 2.826 179.680 176.870 -0.026 0.000 1.079 1033 L CA 1.238 56.056 54.840 -0.037 0.000 0.752 1033 L CB -0.379 41.674 42.059 -0.010 0.000 0.906 1033 L HN 0.306 nan 8.230 nan 0.000 0.436 1034 Q N -0.583 119.208 119.800 -0.015 0.000 2.167 1034 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 1034 Q C 1.945 177.937 176.000 -0.013 0.000 0.970 1034 Q CA 1.426 57.223 55.803 -0.011 0.000 0.855 1034 Q CB -0.009 28.725 28.738 -0.007 0.000 0.911 1034 Q HN 0.286 nan 8.270 nan 0.000 0.438 1035 E N 1.290 121.479 120.200 -0.019 0.000 2.077 1035 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 1035 E C 1.629 178.221 176.600 -0.014 0.000 0.989 1035 E CA 1.185 57.575 56.400 -0.018 0.000 0.800 1035 E CB -0.182 29.502 29.700 -0.027 0.000 0.746 1035 E HN 0.364 nan 8.360 nan 0.000 0.452 1036 I N 0.553 121.107 120.570 -0.027 0.000 2.252 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.530 178.645 176.117 -0.004 0.000 1.102 1036 I CA 1.606 62.897 61.300 -0.015 0.000 1.385 1036 I CB -0.387 37.586 38.000 -0.044 0.000 1.064 1036 I HN 0.265 nan 8.210 nan 0.000 0.414 1037 E N 1.289 121.482 120.200 -0.011 0.000 2.265 1037 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 1037 E C 2.179 178.777 176.600 -0.003 0.000 0.996 1037 E CA 1.219 57.614 56.400 -0.008 0.000 0.832 1037 E CB -0.094 29.600 29.700 -0.009 0.000 0.756 1037 E HN 0.484 nan 8.360 nan 0.000 0.491 1038 G N 1.111 109.910 108.800 -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 1.554 176.458 174.900 0.008 0.000 1.176 1038 G CA 0.567 45.668 45.100 0.002 0.000 0.786 1038 G HN 0.263 nan 8.290 nan 0.000 0.533 1039 I N 1.588 122.169 120.570 0.017 0.000 2.567 1039 I HA -0.136 4.034 4.170 -0.000 0.000 0.257 1039 I C 3.142 179.265 176.117 0.010 0.000 1.184 1039 I CA 0.560 61.878 61.300 0.030 0.000 1.451 1039 I CB -0.087 37.959 38.000 0.077 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.228 125.050 122.820 0.002 0.000 1.845 1040 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 1040 A C 2.333 179.906 177.584 -0.019 0.000 1.195 1040 A CA 1.969 53.998 52.037 -0.014 0.000 0.616 1040 A CB -0.469 18.524 19.000 -0.012 0.000 0.832 1040 A HN 0.516 nan 8.150 nan 0.000 0.443 1041 K N -0.605 119.789 120.400 -0.010 0.000 2.365 1041 K HA 0.328 4.648 4.320 -0.000 0.000 0.197 1041 K C 1.870 178.470 176.600 -0.000 0.000 1.042 1041 K CA 0.942 57.225 56.287 -0.007 0.000 0.987 1041 K CB -0.267 32.231 32.500 -0.003 0.000 0.779 1041 K HN 0.256 nan 8.250 nan 0.000 0.484 1042 A N 1.909 124.729 122.820 0.001 0.000 1.933 1042 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 1042 A C 2.336 179.924 177.584 0.006 0.000 1.175 1042 A CA 1.684 53.724 52.037 0.006 0.000 0.628 1042 A CB -0.507 18.498 19.000 0.009 0.000 0.814 1042 A HN 0.471 nan 8.150 nan 0.000 0.444 1043 A N -1.228 121.590 122.820 -0.005 0.000 2.238 1043 A HA 0.569 4.889 4.320 -0.000 0.000 0.210 1043 A C 2.125 179.720 177.584 0.017 0.000 1.179 1043 A CA 1.096 53.131 52.037 -0.004 0.000 0.827 1043 A CB -0.442 18.533 19.000 -0.043 0.000 0.856 1043 A HN 0.780 nan 8.150 nan 0.000 0.488 1044 A N 1.237 124.060 122.820 0.005 0.000 1.898 1044 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1044 A C 1.922 179.536 177.584 0.050 0.000 1.183 1044 A CA 1.411 53.450 52.037 0.004 0.000 0.622 1044 A CB -0.432 18.558 19.000 -0.016 0.000 0.824 1044 A HN 0.682 nan 8.150 nan 0.000 0.444 1045 E N -0.218 120.006 120.200 0.040 0.000 2.216 1045 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 1045 E C 1.823 178.457 176.600 0.057 0.000 0.988 1045 E CA 0.752 57.179 56.400 0.045 0.000 0.834 1045 E CB -0.306 29.410 29.700 0.027 0.000 0.772 1045 E HN 0.430 nan 8.360 nan 0.000 0.479 1046 A N 1.715 124.569 122.820 0.057 0.000 2.067 1046 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1046 A C 2.087 179.716 177.584 0.075 0.000 1.158 1046 A CA 1.377 53.445 52.037 0.052 0.000 0.661 1046 A CB -0.797 18.225 19.000 0.036 0.000 0.801 1046 A HN 0.424 nan 8.150 nan 0.000 0.452 1047 H N -0.432 118.639 119.070 0.002 0.000 2.482 1047 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 1047 H C 2.092 177.428 175.328 0.013 0.000 1.017 1047 H CA 1.350 57.401 56.048 0.005 0.000 1.322 1047 H CB -0.188 29.569 29.762 -0.010 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.463 109.353 108.800 0.151 0.000 2.421 1048 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 1048 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 1048 G C 1.828 176.747 174.900 0.032 0.000 1.143 1048 G CA 0.770 45.929 45.100 0.098 0.000 0.784 1048 G HN 0.305 nan 8.290 nan 0.000 0.541 1049 V N 1.520 121.450 119.914 0.027 0.000 2.261 1049 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 1049 V C 2.757 178.863 176.094 0.020 0.000 1.047 1049 V CA 1.558 63.872 62.300 0.022 0.000 1.015 1049 V CB -0.447 31.391 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.061 120.511 120.570 0.004 0.000 2.567 1050 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 1050 I C 2.655 178.761 176.117 -0.017 0.000 1.184 1050 I CA 1.509 62.828 61.300 0.030 0.000 1.451 1050 I CB -0.470 37.515 38.000 -0.024 0.000 1.089 1050 I HN 0.271 nan 8.210 nan 0.000 0.441 1051 R N 1.448 121.901 120.500 -0.079 0.000 2.148 1051 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 1051 R C 0.738 177.037 176.300 -0.002 0.000 1.088 1051 R CA 1.043 57.104 56.100 -0.064 0.000 0.985 1051 R CB 0.084 30.352 30.300 -0.053 0.000 0.880 1051 R HN 0.351 nan 8.270 nan 0.000 0.451 1052 N N 0.574 119.283 118.700 0.016 0.000 2.380 1052 N HA 0.115 4.855 4.740 -0.000 0.000 0.255 1052 N C -1.123 174.411 175.510 0.039 0.000 1.158 1052 N CA 0.055 53.120 53.050 0.026 0.000 0.878 1052 N CB 1.451 39.951 38.487 0.021 0.000 1.138 1052 N HN -0.007 nan 8.380 nan 0.000 0.509 1053 S N -0.521 115.221 115.700 0.070 0.000 2.599 1053 S HA 0.528 4.998 4.470 -0.000 0.000 0.294 1053 S C -0.133 174.556 174.600 0.148 0.000 1.094 1053 S CA -0.534 57.721 58.200 0.093 0.000 0.931 1053 S CB 2.407 65.676 63.200 0.115 0.000 1.093 1053 S HN -0.007 nan 8.310 nan 0.000 0.488 1054 T N 2.555 117.175 114.554 0.109 0.000 2.770 1054 T HA 0.452 4.802 4.350 -0.000 0.000 0.283 1054 T C -1.291 173.497 174.700 0.147 0.000 0.988 1054 T CA -0.232 61.947 62.100 0.132 0.000 0.957 1054 T CB 0.178 69.082 68.868 0.060 0.000 0.930 1054 T HN 0.389 nan 8.240 nan 0.000 0.443 1055 Y N 1.755 122.050 120.300 -0.008 0.000 2.316 1055 Y HA 0.598 5.148 4.550 -0.000 0.000 0.331 1055 Y C 0.941 176.837 175.900 -0.007 0.000 1.083 1055 Y CA -0.162 57.934 58.100 -0.007 0.000 1.206 1055 Y CB 1.236 39.691 38.460 -0.007 0.000 1.195 1055 Y HN 0.840 nan 8.280 nan 0.000 0.497 1056 G N 2.044 110.874 108.800 0.049 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 0.299 175.211 174.900 0.021 0.000 1.386 1056 G CA -0.919 44.200 45.100 0.031 0.000 0.959 1056 G HN 0.601 nan 8.290 nan 0.000 0.522 1057 R N -0.701 119.807 120.500 0.013 0.000 2.159 1057 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 1057 R C 2.498 178.792 176.300 -0.010 0.000 1.131 1057 R CA 1.888 57.993 56.100 0.008 0.000 0.982 1057 R CB -0.396 29.906 30.300 0.003 0.000 0.868 1057 R HN 0.501 nan 8.270 nan 0.000 0.453 1058 A N 0.588 123.390 122.820 -0.029 0.000 1.940 1058 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 1058 A C 1.882 179.427 177.584 -0.064 0.000 1.176 1058 A CA 1.400 53.409 52.037 -0.046 0.000 0.631 1058 A CB -0.266 18.700 19.000 -0.057 0.000 0.814 1058 A HN 0.403 nan 8.150 nan 0.000 0.446 1059 Q N -0.752 118.990 119.800 -0.096 0.000 2.472 1059 Q HA 0.311 4.651 4.340 -0.000 0.000 0.208 1059 Q C 1.711 177.695 176.000 -0.026 0.000 0.958 1059 Q CA 0.859 56.585 55.803 -0.129 0.000 0.932 1059 Q CB -0.231 28.288 28.738 -0.365 0.000 1.007 1059 Q HN 0.649 nan 8.270 nan 0.000 0.508 1060 A N 0.237 123.057 122.820 0.000 0.000 2.238 1060 A HA 0.030 4.350 4.320 -0.000 0.000 0.210 1060 A C 0.972 178.551 177.584 -0.009 0.000 1.179 1060 A CA 0.168 52.213 52.037 0.013 0.000 0.827 1060 A CB 0.237 19.250 19.000 0.022 0.000 0.856 1060 A HN 0.219 nan 8.150 nan 0.000 0.488 1061 E N -0.143 120.046 120.200 -0.018 0.000 2.437 1061 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 1061 E C -0.222 176.364 176.600 -0.023 0.000 1.029 1061 E CA -0.031 56.357 56.400 -0.020 0.000 0.948 1061 E CB 0.206 29.894 29.700 -0.020 0.000 1.082 1061 E HN 0.409 nan 8.360 nan 0.000 0.456 1062 K N 0.241 120.627 120.400 -0.024 0.000 2.622 1062 K HA 0.205 4.525 4.320 -0.000 0.000 0.273 1062 K C -1.608 174.983 176.600 -0.016 0.000 0.957 1062 K CA -0.405 55.869 56.287 -0.021 0.000 0.861 1062 K CB 1.790 34.276 32.500 -0.023 0.000 1.405 1062 K HN -0.137 nan 8.250 nan 0.000 0.406 1063 S N 3.904 119.599 115.700 -0.009 0.000 2.438 1063 S HA 0.337 4.807 4.470 -0.000 0.000 0.293 1063 S C -2.457 172.165 174.600 0.036 0.000 1.141 1063 S CA -1.128 57.076 58.200 0.008 0.000 1.080 1063 S CB 1.094 64.290 63.200 -0.006 0.000 0.978 1063 S HN 0.401 nan 8.310 nan 0.000 0.479 1064 P HA 0.014 nan 4.420 nan 0.000 0.254 1064 P C 0.140 177.480 177.300 0.068 0.000 1.186 1064 P CA 0.251 63.388 63.100 0.061 0.000 0.868 1064 P CB 0.330 32.085 31.700 0.091 0.000 0.856 1065 E N 2.146 122.371 120.200 0.042 0.000 2.204 1065 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 1065 E C 1.912 178.534 176.600 0.038 0.000 0.990 1065 E CA 0.906 57.330 56.400 0.040 0.000 0.821 1065 E CB 0.018 29.732 29.700 0.025 0.000 0.750 1065 E HN 0.608 nan 8.360 nan 0.000 0.477 1066 Q N 0.837 120.656 119.800 0.032 0.000 2.079 1066 Q HA -0.163 4.176 4.340 -0.000 0.000 0.200 1066 Q C 2.150 178.164 176.000 0.025 0.000 0.974 1066 Q CA 1.000 56.819 55.803 0.026 0.000 0.840 1066 Q CB 0.060 28.811 28.738 0.021 0.000 0.898 1066 Q HN 0.311 nan 8.270 nan 0.000 0.430 1067 L N 0.335 121.576 121.223 0.031 0.000 2.056 1067 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 1067 L C 2.390 179.257 176.870 -0.006 0.000 1.078 1067 L CA 0.766 55.604 54.840 -0.004 0.000 0.749 1067 L CB -0.495 41.556 42.059 -0.013 0.000 0.901 1067 L HN 0.316 nan 8.230 nan 0.000 0.433 1068 L N -0.078 121.178 121.223 0.054 0.000 2.265 1068 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 1068 L C 2.567 179.466 176.870 0.049 0.000 1.117 1068 L CA 0.979 55.864 54.840 0.074 0.000 0.782 1068 L CB -0.994 41.122 42.059 0.095 0.000 0.914 1068 L HN 0.303 nan 8.230 nan 0.000 0.441 1069 G N -0.600 108.221 108.800 0.036 0.000 2.421 1069 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 1069 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 1069 G C 1.549 176.468 174.900 0.032 0.000 1.143 1069 G CA 0.550 45.669 45.100 0.032 0.000 0.784 1069 G HN 0.161 nan 8.290 nan 0.000 0.541 1070 V N 0.888 120.815 119.914 0.021 0.000 2.300 1070 V HA 0.013 4.133 4.120 -0.000 0.000 0.241 1070 V C 2.808 178.932 176.094 0.050 0.000 1.034 1070 V CA 0.997 63.311 62.300 0.023 0.000 1.021 1070 V CB -0.499 31.319 31.823 -0.010 0.000 0.662 1070 V HN 0.291 nan 8.190 nan 0.000 0.458 1071 L N 0.105 121.341 121.223 0.022 0.000 2.189 1071 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 1071 L C 2.549 179.500 176.870 0.135 0.000 1.097 1071 L CA 1.580 56.464 54.840 0.072 0.000 0.764 1071 L CB -0.469 41.603 42.059 0.023 0.000 0.900 1071 L HN 0.425 nan 8.230 nan 0.000 0.436 1072 Q N 0.524 120.379 119.800 0.092 0.000 2.089 1072 Q HA -0.159 4.181 4.340 -0.000 0.000 0.195 1072 Q C 2.259 178.302 176.000 0.072 0.000 0.963 1072 Q CA 1.317 57.166 55.803 0.077 0.000 0.834 1072 Q CB -0.141 28.632 28.738 0.058 0.000 0.906 1072 Q HN 0.224 nan 8.270 nan 0.000 0.452 1073 R N -1.093 119.451 120.500 0.073 0.000 2.159 1073 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 1073 R C 1.916 178.266 176.300 0.085 0.000 1.131 1073 R CA 1.432 57.569 56.100 0.061 0.000 0.982 1073 R CB -0.311 30.021 30.300 0.054 0.000 0.868 1073 R HN 0.425 nan 8.270 nan 0.000 0.453 1074 Y N 0.853 121.143 120.300 -0.016 0.000 2.176 1074 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 1074 Y C 2.380 178.264 175.900 -0.028 0.000 1.122 1074 Y CA 1.795 59.881 58.100 -0.024 0.000 1.128 1074 Y CB -0.461 37.986 38.460 -0.022 0.000 1.005 1074 Y HN 0.068 nan 8.280 nan 0.000 0.509 1075 Q N 0.186 119.966 119.800 -0.034 0.000 2.197 1075 Q HA -0.246 4.094 4.340 -0.000 0.000 0.207 1075 Q C 1.494 177.409 176.000 -0.141 0.000 0.984 1075 Q CA 2.090 57.799 55.803 -0.156 0.000 0.869 1075 Q CB -0.200 28.509 28.738 -0.048 0.000 0.906 1075 Q HN 0.577 nan 8.270 nan 0.000 0.426 1076 D N 0.436 120.798 120.400 -0.064 0.000 2.097 1076 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 1076 D C 1.999 178.253 176.300 -0.076 0.000 0.984 1076 D CA 0.993 54.976 54.000 -0.028 0.000 0.826 1076 D CB -0.171 40.621 40.800 -0.014 0.000 0.973 1076 D HN 0.315 nan 8.370 nan 0.000 0.460 1077 L N 0.637 121.782 121.223 -0.129 0.000 2.046 1077 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 1077 L C 2.435 179.192 176.870 -0.189 0.000 1.077 1077 L CA 1.399 56.147 54.840 -0.154 0.000 0.747 1077 L CB -0.197 41.772 42.059 -0.150 0.000 0.896 1077 L HN 0.027 nan 8.230 nan 0.000 0.432 1078 C N -0.439 118.682 119.300 -0.299 0.000 2.413 1078 C HA -0.240 4.220 4.460 -0.000 0.000 0.276 1078 C C 2.616 177.572 174.990 -0.056 0.000 1.236 1078 C CA 1.264 60.129 59.018 -0.255 0.000 1.735 1078 C CB -1.492 26.007 27.740 -0.401 0.000 2.031 1078 C HN 0.723 nan 8.230 nan 0.000 0.474 1079 H N 1.346 120.314 119.070 -0.171 0.000 2.265 1079 H HA -0.186 4.370 4.556 -0.000 0.000 0.293 1079 H C 2.067 177.398 175.328 0.005 0.000 1.089 1079 H CA 2.035 58.028 56.048 -0.092 0.000 1.244 1079 H CB -0.168 29.535 29.762 -0.099 0.000 1.355 1079 H HN 0.467 nan 8.280 nan 0.000 0.485 1080 N N 0.551 119.215 118.700 -0.059 0.000 2.025 1080 N HA -0.163 4.577 4.740 -0.000 0.000 0.194 1080 N C 2.225 177.771 175.510 0.060 0.000 1.044 1080 N CA 1.392 54.386 53.050 -0.093 0.000 0.851 1080 N CB -0.781 37.635 38.487 -0.118 0.000 1.036 1080 N HN 0.214 nan 8.380 nan 0.000 0.422 1081 V N 1.283 121.208 119.914 0.018 0.000 2.231 1081 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 1081 V C 2.146 178.328 176.094 0.147 0.000 1.058 1081 V CA 1.837 64.143 62.300 0.009 0.000 1.022 1081 V CB -0.839 30.858 31.823 -0.211 0.000 0.640 1081 V HN 0.306 nan 8.190 nan 0.000 0.445 1082 Y N -0.182 120.140 120.300 0.036 0.000 2.241 1082 Y HA -0.331 4.219 4.550 -0.000 0.000 0.286 1082 Y C 2.425 178.397 175.900 0.120 0.000 1.166 1082 Y CA 2.073 60.218 58.100 0.074 0.000 1.203 1082 Y CB -0.324 38.167 38.460 0.051 0.000 0.977 1082 Y HN 0.316 nan 8.280 nan 0.000 0.529 1083 C N -0.194 119.278 119.300 0.288 0.000 2.492 1083 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 1083 C C 2.445 177.509 174.990 0.122 0.000 1.335 1083 C CA 0.857 60.002 59.018 0.211 0.000 1.734 1083 C CB -0.850 27.029 27.740 0.232 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.053 120.955 119.800 0.169 0.000 2.230 1084 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 1084 Q C 2.374 178.460 176.000 0.143 0.000 0.963 1084 Q CA 1.448 57.352 55.803 0.169 0.000 0.866 1084 Q CB -0.209 28.738 28.738 0.349 0.000 0.931 1084 Q HN 0.735 nan 8.270 nan 0.000 0.452 1085 A N 1.434 124.376 122.820 0.203 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 -0.018 0.000 1.192 1085 A CA 0.940 53.060 52.037 0.137 0.000 0.611 1085 A CB -0.260 18.799 19.000 0.098 0.000 0.832 1085 A HN 0.118 nan 8.150 nan 0.000 0.442 1086 E N -0.015 120.120 120.200 -0.108 0.000 2.284 1086 E HA -0.153 4.197 4.350 -0.000 0.000 0.200 1086 E C 1.963 178.557 176.600 -0.009 0.000 1.008 1086 E CA 1.588 57.927 56.400 -0.103 0.000 0.829 1086 E CB -0.641 28.989 29.700 -0.116 0.000 0.744 1086 E HN 0.626 nan 8.360 nan 0.000 0.491 1087 T N 0.962 115.535 114.554 0.033 0.000 2.732 1087 T HA -0.007 4.343 4.350 -0.000 0.000 0.261 1087 T C 2.096 176.835 174.700 0.065 0.000 1.040 1087 T CA 0.626 62.789 62.100 0.105 0.000 1.145 1087 T CB -0.101 68.799 68.868 0.054 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.723 121.279 120.570 -0.024 0.000 2.286 1088 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 1088 I C 2.859 178.987 176.117 0.017 0.000 1.115 1088 I CA 1.227 62.507 61.300 -0.034 0.000 1.392 1088 I CB -0.317 37.612 38.000 -0.117 0.000 1.065 1088 I HN 0.132 nan 8.210 nan 0.000 0.418 1089 R N 0.146 120.644 120.500 -0.003 0.000 2.075 1089 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 1089 R C 2.269 178.542 176.300 -0.045 0.000 1.126 1089 R CA 1.821 57.912 56.100 -0.015 0.000 0.963 1089 R CB -0.677 29.603 30.300 -0.034 0.000 0.858 1089 R HN 0.348 nan 8.270 nan 0.000 0.435 1090 T N 0.938 115.443 114.554 -0.082 0.000 2.833 1090 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 1090 T C 1.976 176.583 174.700 -0.154 0.000 1.054 1090 T CA 0.997 62.969 62.100 -0.212 0.000 1.135 1090 T CB -0.082 68.502 68.868 -0.475 0.000 0.869 1090 T HN 0.000 nan 8.240 nan 0.000 0.466 1091 V N 1.037 120.948 119.914 -0.004 0.000 2.427 1091 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 1091 V C 2.239 178.358 176.094 0.043 0.000 1.051 1091 V CA 1.370 63.715 62.300 0.075 0.000 1.048 1091 V CB -0.483 31.420 31.823 0.134 0.000 0.666 1091 V HN 0.498 nan 8.190 nan 0.000 0.456 1092 I N 0.107 120.691 120.570 0.024 0.000 2.270 1092 I HA -0.048 4.122 4.170 -0.000 0.000 0.239 1092 I C 2.727 178.823 176.117 -0.035 0.000 1.080 1092 I CA 1.061 62.364 61.300 0.005 0.000 1.383 1092 I CB -0.746 37.258 38.000 0.006 0.000 1.097 1092 I HN 0.221 nan 8.210 nan 0.000 0.420 1093 A N 1.939 124.729 122.820 -0.050 0.000 1.971 1093 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 1093 A C 2.210 179.762 177.584 -0.053 0.000 1.182 1093 A CA 2.376 54.377 52.037 -0.060 0.000 0.649 1093 A CB -1.252 17.711 19.000 -0.061 0.000 0.818 1093 A HN 0.671 nan 8.150 nan 0.000 0.458 1094 I N -4.771 115.766 120.570 -0.056 0.000 3.444 1094 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 1094 I C 1.381 177.487 176.117 -0.019 0.000 1.302 1094 I CA 0.686 61.961 61.300 -0.041 0.000 1.368 1094 I CB -0.069 37.899 38.000 -0.053 0.000 1.048 1094 I HN 0.090 nan 8.210 nan 0.000 0.487 1095 R N 1.181 121.669 120.500 -0.020 0.000 2.613 1095 R HA 0.477 4.817 4.340 -0.000 0.000 0.361 1095 R C -0.163 176.122 176.300 -0.026 0.000 1.072 1095 R CA -0.274 55.819 56.100 -0.012 0.000 1.089 1095 R CB 0.583 30.884 30.300 0.001 0.000 1.343 1095 R HN 0.324 nan 8.270 nan 0.000 0.571 1096 I N 4.158 124.708 120.570 -0.033 0.000 2.337 1096 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 1096 I C -1.399 174.717 176.117 -0.000 0.000 1.046 1096 I CA -1.818 59.460 61.300 -0.037 0.000 1.324 1096 I CB 0.800 38.770 38.000 -0.051 0.000 1.409 1096 I HN -0.087 nan 8.210 nan 0.000 0.494 1097 P HA -0.008 nan 4.420 nan 0.000 0.274 1097 P C -0.226 177.099 177.300 0.040 0.000 1.264 1097 P CA -0.425 62.684 63.100 0.015 0.000 0.795 1097 P CB 0.545 32.247 31.700 0.003 0.000 1.064 1098 E N -0.061 120.158 120.200 0.032 0.000 2.529 1098 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 1098 E C -0.127 176.516 176.600 0.071 0.000 0.966 1098 E CA -0.018 56.412 56.400 0.049 0.000 0.937 1098 E CB -0.029 29.686 29.700 0.024 0.000 0.923 1098 E HN 0.378 nan 8.360 nan 0.000 0.468 1099 H N 4.594 123.673 119.070 0.015 0.000 3.082 1099 H HA 0.120 4.676 4.556 -0.000 0.000 0.275 1099 H C -0.704 174.631 175.328 0.012 0.000 1.032 1099 H CA 0.655 56.715 56.048 0.020 0.000 1.477 1099 H CB 0.200 29.974 29.762 0.020 0.000 1.520 1099 H HN 0.348 nan 8.280 nan 0.000 0.521 1100 K N 3.132 123.295 120.400 -0.393 0.000 2.349 1100 K HA 0.239 4.559 4.320 -0.000 0.000 0.243 1100 K C 0.170 176.547 176.600 -0.372 0.000 1.058 1100 K CA -0.958 55.148 56.287 -0.303 0.000 0.871 1100 K CB 1.425 33.842 32.500 -0.139 0.000 1.337 1100 K HN 0.541 nan 8.250 nan 0.000 0.469 1101 E N 1.421 121.497 120.200 -0.206 0.000 2.548 1101 E HA 0.053 4.403 4.350 -0.000 0.000 0.206 1101 E C -0.732 175.815 176.600 -0.089 0.000 1.005 1101 E CA 0.234 56.548 56.400 -0.144 0.000 0.951 1101 E CB 0.751 30.396 29.700 -0.092 0.000 1.035 1101 E HN 0.579 nan 8.360 nan 0.000 0.470 1102 E N -0.572 119.576 120.200 -0.086 0.000 2.433 1102 E HA 0.314 4.664 4.350 -0.000 0.000 0.278 1102 E C -0.689 175.879 176.600 -0.053 0.000 0.976 1102 E CA -0.813 55.553 56.400 -0.057 0.000 0.793 1102 E CB 1.028 30.699 29.700 -0.048 0.000 1.311 1102 E HN -0.250 nan 8.360 nan 0.000 0.460 1103 D N 0.459 120.836 120.400 -0.040 0.000 2.723 1103 D HA -0.145 4.495 4.640 -0.000 0.000 0.236 1103 D C -0.702 175.580 176.300 -0.030 0.000 1.138 1103 D CA 0.569 54.548 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 0.567 nan 8.370 nan 0.000 0.430 1104 N N 0.277 118.962 118.700 -0.024 0.000 2.321 1104 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 1104 N C 1.785 177.296 175.510 0.001 0.000 1.141 1104 N CA -0.277 52.768 53.050 -0.007 0.000 0.864 1104 N CB 0.215 38.701 38.487 -0.002 0.000 1.100 1104 N HN 0.415 nan 8.380 nan 0.000 0.510 1105 L N -0.326 120.890 121.223 -0.012 0.000 2.093 1105 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 1105 L C 2.345 179.206 176.870 -0.015 0.000 1.085 1105 L CA 1.351 56.183 54.840 -0.013 0.000 0.755 1105 L CB -0.357 41.689 42.059 -0.023 0.000 0.904 1105 L HN 0.222 nan 8.230 nan 0.000 0.435 1106 G N -0.677 108.109 108.800 -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 1.577 176.468 174.900 -0.016 0.000 1.166 1106 G CA 0.563 45.643 45.100 -0.034 0.000 0.793 1106 G HN 0.146 nan 8.290 nan 0.000 0.533 1107 V N 1.932 121.850 119.914 0.005 0.000 2.380 1107 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1107 V C 3.327 179.482 176.094 0.101 0.000 1.063 1107 V CA 2.061 64.384 62.300 0.039 0.000 1.055 1107 V CB -1.004 30.870 31.823 0.086 0.000 0.657 1107 V HN 0.463 nan 8.190 nan 0.000 0.455 1108 A N -0.148 122.726 122.820 0.090 0.000 1.908 1108 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1108 A C 2.413 180.046 177.584 0.080 0.000 1.181 1108 A CA 2.178 54.277 52.037 0.103 0.000 0.627 1108 A CB -0.730 18.300 19.000 0.052 0.000 0.818 1108 A HN 0.353 nan 8.150 nan 0.000 0.445 1109 V N 0.151 120.082 119.914 0.030 0.000 2.343 1109 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 1109 V C 2.674 178.773 176.094 0.007 0.000 1.051 1109 V CA 2.292 64.597 62.300 0.009 0.000 1.036 1109 V CB -0.997 30.809 31.823 -0.028 0.000 0.654 1109 V HN 0.648 nan 8.190 nan 0.000 0.451 1110 Q N -0.908 118.877 119.800 -0.024 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.337 178.293 176.000 -0.073 0.000 0.988 1110 Q CA 1.880 57.637 55.803 -0.077 0.000 0.843 1110 Q CB -0.398 28.243 28.738 -0.163 0.000 0.908 1110 Q HN 0.691 nan 8.270 nan 0.000 0.420 1111 H N 0.084 119.167 119.070 0.022 0.000 2.387 1111 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 1111 H C 2.094 177.440 175.328 0.030 0.000 1.099 1111 H CA 1.423 57.487 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 0.346 nan 8.280 nan 0.000 0.513 1112 A N 0.595 123.499 122.820 0.140 0.000 1.858 1112 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1112 A C 2.887 180.520 177.584 0.082 0.000 1.190 1112 A CA 1.866 53.960 52.037 0.094 0.000 0.617 1112 A CB -0.955 18.086 19.000 0.067 0.000 0.827 1112 A HN 0.217 nan 8.150 nan 0.000 0.443 1113 V N 0.174 120.130 119.914 0.070 0.000 2.343 1113 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 1113 V C 2.561 178.706 176.094 0.085 0.000 1.051 1113 V CA 1.858 64.207 62.300 0.081 0.000 1.036 1113 V CB -0.766 31.106 31.823 0.082 0.000 0.654 1113 V HN 0.558 nan 8.190 nan 0.000 0.451 1114 L N -0.166 121.097 121.223 0.068 0.000 2.079 1114 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 1114 L C 2.598 179.514 176.870 0.078 0.000 1.081 1114 L CA 2.030 56.908 54.840 0.063 0.000 0.752 1114 L CB -0.545 41.541 42.059 0.044 0.000 0.896 1114 L HN 0.360 nan 8.230 nan 0.000 0.433 1115 K N 0.640 121.093 120.400 0.089 0.000 2.057 1115 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 1115 K C 2.153 178.800 176.600 0.077 0.000 1.050 1115 K CA 1.230 57.567 56.287 0.082 0.000 0.935 1115 K CB -0.049 32.500 32.500 0.081 0.000 0.715 1115 K HN 0.255 nan 8.250 nan 0.000 0.439 1116 I N 0.816 121.435 120.570 0.082 0.000 2.394 1116 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 1116 I C 1.849 178.020 176.117 0.090 0.000 1.136 1116 I CA 1.090 62.441 61.300 0.084 0.000 1.425 1116 I CB 0.062 38.116 38.000 0.091 0.000 1.079 1116 I HN 0.253 nan 8.210 nan 0.000 0.425 1117 I N 0.851 121.478 120.570 0.095 0.000 2.252 1117 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1117 I C 1.936 178.096 176.117 0.072 0.000 1.102 1117 I CA 1.318 62.677 61.300 0.099 0.000 1.385 1117 I CB -0.506 37.550 38.000 0.093 0.000 1.064 1117 I HN 0.257 nan 8.210 nan 0.000 0.414 1118 D N 0.429 120.867 120.400 0.064 0.000 2.178 1118 D HA -0.217 4.423 4.640 -0.000 0.000 0.202 1118 D C 1.953 178.297 176.300 0.072 0.000 0.974 1118 D CA 1.026 55.062 54.000 0.060 0.000 0.841 1118 D CB -0.171 40.666 40.800 0.061 0.000 0.953 1118 D HN 0.431 nan 8.370 nan 0.000 0.478 1119 E N 0.178 120.422 120.200 0.074 0.000 2.150 1119 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1119 E C 2.094 178.742 176.600 0.080 0.000 0.985 1119 E CA 0.278 56.726 56.400 0.079 0.000 0.814 1119 E CB 0.079 29.826 29.700 0.078 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.248 122.511 121.223 0.067 0.000 2.044 1120 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 1120 L C 1.861 178.766 176.870 0.057 0.000 1.075 1120 L CA 1.820 56.684 54.840 0.041 0.000 0.747 1120 L CB -0.338 41.737 42.059 0.028 0.000 0.903 1120 L HN 0.026 nan 8.230 nan 0.000 0.435 1121 E N -0.277 119.966 120.200 0.072 0.000 2.160 1121 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 1121 E C 2.273 178.984 176.600 0.185 0.000 0.991 1121 E CA 1.536 58.012 56.400 0.127 0.000 0.810 1121 E CB -0.201 29.529 29.700 0.050 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.896 121.546 120.570 0.134 0.000 2.315 1122 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 1122 I C 2.210 178.397 176.117 0.117 0.000 1.117 1122 I CA 0.832 62.207 61.300 0.126 0.000 1.404 1122 I CB -0.067 37.993 38.000 0.100 0.000 1.071 1122 I HN 0.027 nan 8.210 nan 0.000 0.419 1123 K N 0.460 120.927 120.400 0.112 0.000 2.002 1123 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 1123 K C 2.156 178.816 176.600 0.099 0.000 1.048 1123 K CA 2.203 58.562 56.287 0.119 0.000 0.930 1123 K CB -1.176 31.407 32.500 0.139 0.000 0.714 1123 K HN 0.444 nan 8.250 nan 0.000 0.438 1124 T N 0.782 115.380 114.554 0.073 0.000 2.684 1124 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1124 T C 2.043 176.758 174.700 0.025 0.000 1.036 1124 T CA 1.206 63.321 62.100 0.025 0.000 1.148 1124 T CB -0.563 68.324 68.868 0.031 0.000 0.863 1124 T HN 0.044 nan 8.240 nan 0.000 0.436 1125 L N 1.912 123.188 121.223 0.088 0.000 2.187 1125 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 1125 L C 1.413 178.342 176.870 0.097 0.000 1.100 1125 L CA 1.577 56.449 54.840 0.054 0.000 0.765 1125 L CB -1.322 40.803 42.059 0.109 0.000 0.904 1125 L HN 0.924 nan 8.230 nan 0.000 0.437 1126 G N -2.157 106.705 108.800 0.104 0.000 2.741 1126 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G C 0.613 175.579 174.900 0.111 0.000 1.364 1126 G CA 0.345 45.516 45.100 0.118 0.000 0.866 1126 G HN 0.561 nan 8.290 nan 0.000 0.555 1127 S N -0.439 115.320 115.700 0.098 0.000 2.325 1127 S HA 0.420 4.890 4.470 -0.000 0.000 0.213 1127 S C 2.339 176.980 174.600 0.068 0.000 1.031 1127 S CA 1.769 60.011 58.200 0.070 0.000 0.984 1127 S CB -0.690 62.538 63.200 0.048 0.000 0.939 1127 S HN 2.927 nan 8.310 nan 0.000 0.438 1128 G N 1.141 109.989 108.800 0.081 0.000 2.715 1128 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.221 1128 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.221 1128 G C -0.066 174.843 174.900 0.016 0.000 1.204 1128 G CA 0.127 45.246 45.100 0.032 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.586 119.608 120.200 -0.010 0.000 2.534 1129 E HA 0.193 4.543 4.350 -0.000 0.000 0.179 1129 E C -0.108 176.488 176.600 -0.008 0.000 0.916 1129 E CA 0.253 56.651 56.400 -0.003 0.000 1.354 1129 E CB 0.999 30.692 29.700 -0.011 0.000 1.321 1129 E HN 0.446 nan 8.360 nan 0.000 0.663 1130 K N 1.615 122.009 120.400 -0.012 0.000 2.471 1130 K HA 0.460 4.780 4.320 -0.000 0.000 0.252 1130 K C -1.188 175.412 176.600 -0.000 0.000 0.938 1130 K CA -0.492 55.790 56.287 -0.009 0.000 0.796 1130 K CB 1.599 34.089 32.500 -0.017 0.000 1.161 1130 K HN -0.002 nan 8.250 nan 0.000 0.425 1131 S N 1.876 117.578 115.700 0.004 0.000 2.513 1131 S HA 0.665 5.135 4.470 -0.000 0.000 0.299 1131 S C 0.101 174.707 174.600 0.011 0.000 1.087 1131 S CA -0.879 57.327 58.200 0.009 0.000 1.012 1131 S CB 1.561 64.766 63.200 0.009 0.000 1.044 1131 S HN 0.765 nan 8.310 nan 0.000 0.485 1132 G N 1.403 110.212 108.800 0.016 0.000 2.343 1132 G HA2 0.335 4.295 3.960 -0.000 0.000 0.254 1132 G HA3 0.335 4.295 3.960 -0.000 0.000 0.254 1132 G C 1.069 175.978 174.900 0.015 0.000 1.277 1132 G CA -0.113 44.998 45.100 0.018 0.000 0.909 1132 G HN 1.451 nan 8.290 nan 0.000 0.502 1133 S N 1.587 117.295 115.700 0.013 0.000 2.462 1133 S HA -0.232 4.238 4.470 -0.000 0.000 0.255 1133 S C 2.194 176.800 174.600 0.010 0.000 1.058 1133 S CA 1.689 59.895 58.200 0.010 0.000 1.019 1133 S CB -0.427 62.779 63.200 0.010 0.000 0.801 1133 S HN 1.003 nan 8.310 nan 0.000 0.491 1134 G N 0.433 109.241 108.800 0.013 0.000 2.813 1134 G HA2 0.458 4.418 3.960 -0.000 0.000 0.209 1134 G HA3 0.458 4.418 3.960 -0.000 0.000 0.209 1134 G C 0.949 175.853 174.900 0.007 0.000 1.150 1134 G CA 0.144 45.251 45.100 0.011 0.000 0.785 1134 G HN 1.331 nan 8.290 nan 0.000 0.535 1135 G N -0.478 108.327 108.800 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 0.483 175.387 174.900 0.008 0.000 1.209 1135 G CA 0.344 45.447 45.100 0.006 0.000 0.929 1135 G HN 1.381 nan 8.290 nan 0.000 0.578 1136 A N 0.539 123.360 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.516 177.061 177.584 -0.012 0.000 0.964 1136 A CA 0.823 52.861 52.037 0.002 0.000 1.045 1136 A CB 0.548 19.550 19.000 0.004 0.000 1.174 1136 A HN 0.673 nan 8.150 nan 0.000 0.493 1137 P HA -0.059 nan 4.420 nan 0.000 0.234 1137 P C 0.653 177.922 177.300 -0.051 0.000 1.167 1137 P CA 0.992 64.070 63.100 -0.036 0.000 0.763 1137 P CB -0.251 31.428 31.700 -0.035 0.000 0.835 1138 T N 0.872 115.410 114.554 -0.027 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.658 173.030 174.700 -0.020 0.000 0.938 1138 T CA -1.701 60.388 62.100 -0.018 0.000 1.119 1138 T CB 0.364 69.250 68.868 0.030 0.000 0.891 1138 T HN -0.119 nan 8.240 nan 0.000 0.526 1139 P HA -0.082 nan 4.420 nan 0.000 0.224 1139 P C 0.105 177.376 177.300 -0.050 0.000 0.880 1139 P CA 0.852 63.919 63.100 -0.054 0.000 1.070 1139 P CB 0.180 31.857 31.700 -0.038 0.000 0.652 1140 I N -2.258 118.300 120.570 -0.020 0.000 2.545 1140 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 1140 I C 0.635 176.831 176.117 0.132 0.000 1.040 1140 I CA -1.015 60.286 61.300 0.001 0.000 1.068 1140 I CB 1.788 39.727 38.000 -0.103 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.336 114.225 108.800 0.149 0.000 2.527 1141 G HA2 0.069 4.029 3.960 -0.000 0.000 0.279 1141 G HA3 0.069 4.029 3.960 -0.000 0.000 0.279 1141 G C 0.478 175.490 174.900 0.186 0.000 1.374 1141 G CA -0.148 45.062 45.100 0.183 0.000 1.053 1141 G HN 0.802 nan 8.290 nan 0.000 0.539 1142 M N -1.794 117.809 119.600 0.006 0.000 2.453 1142 M HA 0.437 4.917 4.480 -0.000 0.000 0.239 1142 M C -0.183 175.910 176.300 -0.344 0.000 1.151 1142 M CA 0.316 55.489 55.300 -0.210 0.000 0.989 1142 M CB 0.363 32.714 32.600 -0.415 0.000 1.548 1142 M HN 0.335 nan 8.290 nan 0.000 0.479 1143 Y N 0.339 120.695 120.300 0.092 0.000 2.774 1143 Y HA 0.606 5.156 4.550 -0.000 0.000 0.305 1143 Y C 1.857 177.851 175.900 0.158 0.000 1.067 1143 Y CA -0.347 57.808 58.100 0.092 0.000 1.304 1143 Y CB -0.042 38.453 38.460 0.057 0.000 1.209 1143 Y HN 0.423 nan 8.280 nan 0.000 0.543 1144 A N 0.034 123.022 122.820 0.279 0.000 1.883 1144 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 1144 A C 2.074 179.868 177.584 0.349 0.000 1.186 1144 A CA 1.579 53.819 52.037 0.339 0.000 0.624 1144 A CB -0.585 18.587 19.000 0.287 0.000 0.822 1144 A HN 0.477 nan 8.150 nan 0.000 0.444 1145 L N -0.337 121.039 121.223 0.255 0.000 1.997 1145 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 1145 L C 2.569 179.570 176.870 0.218 0.000 1.074 1145 L CA 2.559 57.535 54.840 0.228 0.000 0.763 1145 L CB -0.758 41.398 42.059 0.160 0.000 0.890 1145 L HN 0.509 nan 8.230 nan 0.000 0.434 1146 R N 0.062 120.688 120.500 0.209 0.000 2.080 1146 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 1146 R C 2.162 178.550 176.300 0.146 0.000 1.137 1146 R CA 2.011 58.208 56.100 0.162 0.000 0.943 1146 R CB -0.504 29.906 30.300 0.183 0.000 0.846 1146 R HN 0.528 nan 8.270 nan 0.000 0.431 1147 E N -1.222 119.115 120.200 0.228 0.000 2.106 1147 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 1147 E C 1.688 178.394 176.600 0.177 0.000 0.984 1147 E CA 1.241 57.792 56.400 0.250 0.000 0.806 1147 E CB -0.321 29.609 29.700 0.383 0.000 0.750 1147 E HN 0.375 nan 8.360 nan 0.000 0.458 1148 Y N 1.584 121.838 120.300 -0.076 0.000 2.089 1148 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 1148 Y C 1.903 177.585 175.900 -0.363 0.000 1.139 1148 Y CA 1.388 59.103 58.100 -0.642 0.000 1.123 1148 Y CB -0.424 37.717 38.460 -0.532 0.000 0.980 1148 Y HN -0.076 nan 8.280 nan 0.000 0.493 1149 L N -0.732 120.297 121.223 -0.323 0.000 2.127 1149 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 1149 L C 2.765 179.486 176.870 -0.247 0.000 1.089 1149 L CA 1.678 56.304 54.840 -0.357 0.000 0.757 1149 L CB -0.841 41.132 42.059 -0.142 0.000 0.899 1149 L HN 0.254 nan 8.230 nan 0.000 0.434 1150 S N -0.437 115.180 115.700 -0.138 0.000 2.402 1150 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 1150 S C 2.059 176.602 174.600 -0.096 0.000 1.021 1150 S CA 1.062 59.213 58.200 -0.082 0.000 0.974 1150 S CB 0.053 63.243 63.200 -0.016 0.000 0.800 1150 S HN 0.435 nan 8.310 nan 0.000 0.484 1151 A N 1.505 124.244 122.820 -0.136 0.000 1.874 1151 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 1151 A C 2.205 179.693 177.584 -0.159 0.000 1.189 1151 A CA 1.195 53.170 52.037 -0.103 0.000 0.615 1151 A CB -0.659 18.301 19.000 -0.068 0.000 0.830 1151 A HN 0.549 nan 8.150 nan 0.000 0.443 1152 R N -0.405 119.910 120.500 -0.308 0.000 2.075 1152 R HA -0.110 4.230 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 1.572 57.498 56.100 -0.289 0.000 0.963 1152 R CB -0.313 29.678 30.300 -0.514 0.000 0.858 1152 R HN 0.526 nan 8.270 nan 0.000 0.435 1153 S N -0.543 115.045 115.700 -0.188 0.000 2.365 1153 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 1153 S C 1.714 176.266 174.600 -0.079 0.000 1.039 1153 S CA 2.135 60.263 58.200 -0.120 0.000 1.033 1153 S CB -0.366 62.770 63.200 -0.106 0.000 0.887 1153 S HN 0.481 nan 8.310 nan 0.000 0.447 1154 T N 1.241 115.752 114.554 -0.071 0.000 2.833 1154 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 1154 T C 1.722 176.399 174.700 -0.038 0.000 1.054 1154 T CA 1.445 63.518 62.100 -0.044 0.000 1.135 1154 T CB -0.259 68.589 68.868 -0.032 0.000 0.869 1154 T HN 0.317 nan 8.240 nan 0.000 0.466 1155 V N 1.069 120.954 119.914 -0.047 0.000 2.788 1155 V HA 0.012 4.132 4.120 -0.000 0.000 0.251 1155 V C 2.188 178.264 176.094 -0.030 0.000 1.068 1155 V CA 1.047 63.326 62.300 -0.035 0.000 1.090 1155 V CB -0.404 31.398 31.823 -0.036 0.000 0.710 1155 V HN 0.505 nan 8.190 nan 0.000 0.467 1156 E N -0.120 120.055 120.200 -0.042 0.000 2.418 1156 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1156 E C 1.487 178.072 176.600 -0.026 0.000 1.026 1156 E CA 0.692 57.072 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 0.572 nan 8.360 nan 0.000 0.518 1157 D N 0.480 120.864 120.400 -0.027 0.000 2.240 1157 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 1157 D C 1.477 177.769 176.300 -0.015 0.000 0.963 1157 D CA 0.674 54.662 54.000 -0.021 0.000 0.863 1157 D CB 0.274 41.061 40.800 -0.022 0.000 0.973 1157 D HN 0.066 nan 8.370 nan 0.000 0.501 1158 K N 0.223 120.614 120.400 -0.014 0.000 2.217 1158 K HA 0.045 4.364 4.320 -0.000 0.000 0.202 1158 K C 2.057 178.653 176.600 -0.006 0.000 1.051 1158 K CA 0.381 56.662 56.287 -0.010 0.000 0.952 1158 K CB 0.509 33.004 32.500 -0.009 0.000 0.736 1158 K HN 0.102 nan 8.250 nan 0.000 0.453 1159 L N 0.328 121.547 121.223 -0.006 0.000 2.121 1159 L HA -0.033 4.307 4.340 -0.000 0.000 0.200 1159 L C 2.239 179.109 176.870 -0.002 0.000 1.132 1159 L CA 0.574 55.414 54.840 -0.000 0.000 0.782 1159 L CB -0.455 41.607 42.059 0.005 0.000 0.940 1159 L HN 0.089 nan 8.230 nan 0.000 0.458 1160 L N -0.511 120.709 121.223 -0.004 0.000 2.081 1160 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 1160 L C 1.818 178.684 176.870 -0.006 0.000 1.080 1160 L CA 1.508 56.345 54.840 -0.005 0.000 0.754 1160 L CB -0.787 41.267 42.059 -0.008 0.000 0.893 1160 L HN 0.742 nan 8.230 nan 0.000 0.433 1161 G N -1.499 107.296 108.800 -0.008 0.000 3.079 1161 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.214 1161 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.214 1161 G C 0.444 175.339 174.900 -0.008 0.000 1.335 1161 G CA 0.031 45.127 45.100 -0.007 0.000 0.822 1161 G HN 0.255 nan 8.290 nan 0.000 0.545 1162 V N -0.049 119.860 119.914 -0.008 0.000 1.056 1162 V HA 0.280 4.400 4.120 -0.000 0.000 0.165 1162 V C 0.034 176.124 176.094 -0.007 0.000 0.828 1162 V CA 1.512 63.807 62.300 -0.009 0.000 2.857 1162 V CB -0.512 31.305 31.823 -0.010 0.000 0.437 1162 V HN 2.284 nan 8.190 nan 0.000 0.090 1163 D N -1.045 119.350 120.400 -0.007 0.000 5.355 1163 D HA 0.702 5.342 4.640 -0.000 0.000 0.362 1163 D C -0.162 176.134 176.300 -0.005 0.000 1.870 1163 D CA 1.047 55.043 54.000 -0.006 0.000 1.038 1163 D CB 0.795 41.591 40.800 -0.006 0.000 1.544 1163 D HN 2.565 nan 8.370 nan 0.000 0.702 1164 A N -0.524 122.293 122.820 -0.005 0.000 5.432 1164 A HA 0.563 4.883 4.320 -0.000 0.000 0.181 1164 A C -1.660 175.922 177.584 -0.004 0.000 0.940 1164 A CA 0.116 52.150 52.037 -0.005 0.000 0.828 1164 A CB -0.009 18.988 19.000 -0.004 0.000 2.058 1164 A HN 0.641 nan 8.150 nan 0.000 1.020 1165 E N -0.805 119.393 120.200 -0.004 0.000 2.416 1165 E HA 0.592 4.942 4.350 -0.000 0.000 0.280 1165 E C -1.578 175.020 176.600 -0.003 0.000 1.055 1165 E CA 0.022 56.420 56.400 -0.004 0.000 0.825 1165 E CB 2.094 31.791 29.700 -0.004 0.000 1.312 1165 E HN 1.524 nan 8.360 nan 0.000 0.452 1166 S N -0.745 114.953 115.700 -0.003 0.000 2.774 1166 S HA 0.079 4.549 4.470 -0.000 0.000 0.857 1166 S C 0.300 174.899 174.600 -0.003 0.000 0.840 1166 S CA 1.063 59.261 58.200 -0.003 0.000 1.521 1166 S CB -0.665 62.534 63.200 -0.003 0.000 1.094 1166 S HN 1.250 nan 8.310 nan 0.000 0.241 1167 G N 4.680 113.478 108.800 -0.002 0.000 5.259 1167 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.288 1167 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.288 1167 G C -0.777 174.121 174.900 -0.002 0.000 1.534 1167 G CA 0.621 45.719 45.100 -0.002 0.000 1.031 1167 G HN 0.980 nan 8.290 nan 0.000 0.724 1168 K N 1.199 121.597 120.400 -0.003 0.000 2.613 1168 K HA 0.556 4.876 4.320 -0.000 0.000 0.248 1168 K C 0.826 177.424 176.600 -0.003 0.000 0.959 1168 K CA 0.128 56.413 56.287 -0.003 0.000 0.855 1168 K CB 1.347 33.846 32.500 -0.003 0.000 1.143 1168 K HN 0.352 nan 8.250 nan 0.000 0.437 1169 T N 1.339 115.891 114.554 -0.004 0.000 2.848 1169 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 1169 T C 0.886 175.583 174.700 -0.004 0.000 1.081 1169 T CA 1.290 63.387 62.100 -0.004 0.000 1.125 1169 T CB -0.049 68.816 68.868 -0.005 0.000 0.848 1169 T HN 0.401 nan 8.240 nan 0.000 0.503 1170 K N 0.690 121.088 120.400 -0.004 0.000 2.186 1170 K HA 0.205 4.525 4.320 -0.000 0.000 0.250 1170 K C 1.287 177.885 176.600 -0.004 0.000 1.044 1170 K CA 0.823 57.108 56.287 -0.003 0.000 0.795 1170 K CB -0.226 32.273 32.500 -0.003 0.000 1.052 1170 K HN 0.393 nan 8.250 nan 0.000 0.535 1171 G N -1.446 107.352 108.800 -0.004 0.000 2.718 1171 G HA2 0.251 4.210 3.960 -0.000 0.000 0.123 1171 G HA3 0.251 4.210 3.960 -0.000 0.000 0.123 1171 G C -0.718 174.179 174.900 -0.004 0.000 1.042 1171 G CA -0.015 45.082 45.100 -0.004 0.000 1.397 1171 G HN 0.785 nan 8.290 nan 0.000 0.611 1172 G N -0.007 108.791 108.800 -0.004 0.000 2.590 1172 G HA2 0.733 4.693 3.960 -0.000 0.000 0.310 1172 G HA3 0.733 4.693 3.960 -0.000 0.000 0.310 1172 G C -0.190 174.708 174.900 -0.003 0.000 1.347 1172 G CA 0.597 45.695 45.100 -0.003 0.000 0.963 1172 G HN 1.293 nan 8.290 nan 0.000 0.494 1173 G N -0.411 108.388 108.800 -0.002 0.000 3.135 1173 G HA2 0.696 4.656 3.960 -0.000 0.000 0.278 1173 G HA3 0.696 4.656 3.960 -0.000 0.000 0.278 1173 G C -0.875 174.025 174.900 -0.001 0.000 1.302 1173 G CA -0.198 44.901 45.100 -0.002 0.000 0.880 1173 G HN 0.909 nan 8.290 nan 0.000 0.574 1174 S N -2.144 113.556 115.700 0.001 0.000 2.715 1174 S HA 0.460 4.930 4.470 -0.000 0.000 0.307 1174 S C 0.446 175.047 174.600 0.003 0.000 1.119 1174 S CA -0.444 57.757 58.200 0.001 0.000 0.937 1174 S CB 1.965 65.166 63.200 0.002 0.000 1.150 1174 S HN 0.539 nan 8.310 nan 0.000 0.521 1175 Q N 0.364 120.165 119.800 0.002 0.000 2.402 1175 Q HA 0.206 4.546 4.340 -0.000 0.000 0.231 1175 Q C 0.113 176.115 176.000 0.003 0.000 0.888 1175 Q CA -0.022 55.782 55.803 0.003 0.000 0.938 1175 Q CB 0.350 29.089 28.738 0.002 0.000 1.086 1175 Q HN 0.624 nan 8.270 nan 0.000 0.543 1176 S N 3.265 118.966 115.700 0.002 0.000 3.184 1176 S HA -0.030 4.440 4.470 -0.000 0.000 0.376 1176 S C -1.470 173.131 174.600 0.002 0.000 1.163 1176 S CA -0.804 57.396 58.200 0.001 0.000 1.314 1176 S CB 0.456 63.656 63.200 -0.001 0.000 0.962 1176 S HN 0.158 nan 8.310 nan 0.000 0.543 1177 P HA -0.049 nan 4.420 nan 0.000 0.220 1177 P C 1.193 178.493 177.300 -0.000 0.000 1.148 1177 P CA 0.851 63.953 63.100 0.003 0.000 0.803 1177 P CB 0.022 31.724 31.700 0.003 0.000 0.782 1178 S N -0.096 115.601 115.700 -0.003 0.000 2.406 1178 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 1178 S C 1.804 176.397 174.600 -0.012 0.000 1.020 1178 S CA 0.466 58.661 58.200 -0.008 0.000 0.965 1178 S CB -0.980 62.216 63.200 -0.007 0.000 0.798 1178 S HN 0.078 nan 8.310 nan 0.000 0.488 1179 L N 1.469 122.687 121.223 -0.007 0.000 2.191 1179 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 1179 L C 1.868 178.732 176.870 -0.010 0.000 1.103 1179 L CA 1.178 56.013 54.840 -0.008 0.000 0.769 1179 L CB -0.444 41.612 42.059 -0.004 0.000 0.908 1179 L HN 0.266 nan 8.230 nan 0.000 0.438 1180 L N -1.262 119.959 121.223 -0.003 0.000 2.095 1180 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 1180 L C 2.135 178.987 176.870 -0.029 0.000 1.080 1180 L CA 1.596 56.441 54.840 0.008 0.000 0.759 1180 L CB -0.440 41.636 42.059 0.028 0.000 0.914 1180 L HN 0.230 nan 8.230 nan 0.000 0.439 1181 L N -0.544 120.653 121.223 -0.044 0.000 2.201 1181 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 1181 L C 2.468 179.266 176.870 -0.119 0.000 1.105 1181 L CA 1.250 56.037 54.840 -0.088 0.000 0.775 1181 L CB -0.444 41.583 42.059 -0.054 0.000 0.913 1181 L HN 0.435 nan 8.230 nan 0.000 0.440 1182 E N 0.450 120.605 120.200 -0.074 0.000 2.208 1182 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 1182 E C 2.159 178.711 176.600 -0.080 0.000 0.988 1182 E CA 0.608 56.973 56.400 -0.059 0.000 0.828 1182 E CB 0.117 29.801 29.700 -0.027 0.000 0.763 1182 E HN 0.317 nan 8.360 nan 0.000 0.478 1183 L N 1.097 122.263 121.223 -0.095 0.000 2.141 1183 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 1183 L C 2.343 179.067 176.870 -0.243 0.000 1.094 1183 L CA 1.565 56.352 54.840 -0.088 0.000 0.763 1183 L CB -0.266 41.792 42.059 -0.001 0.000 0.908 1183 L HN -0.018 nan 8.230 nan 0.000 0.437 1184 R N -1.329 118.873 120.500 -0.496 0.000 2.090 1184 R HA -0.155 4.185 4.340 -0.000 0.000 0.228 1184 R C 2.260 178.322 176.300 -0.396 0.000 1.110 1184 R CA 1.184 56.736 56.100 -0.912 0.000 0.973 1184 R CB -0.110 29.634 30.300 -0.926 0.000 0.869 1184 R HN 0.357 nan 8.270 nan 0.000 0.440 1185 Q N 0.718 120.393 119.800 -0.209 0.000 2.123 1185 Q HA 0.028 4.368 4.340 -0.000 0.000 0.199 1185 Q C 1.851 177.861 176.000 0.017 0.000 0.966 1185 Q CA 1.367 57.119 55.803 -0.084 0.000 0.845 1185 Q CB -0.019 28.693 28.738 -0.044 0.000 0.907 1185 Q HN 0.423 nan 8.270 nan 0.000 0.439 1186 I N 0.718 121.311 120.570 0.039 0.000 2.423 1186 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 1186 I C 1.071 177.333 176.117 0.243 0.000 1.151 1186 I CA 1.168 62.566 61.300 0.164 0.000 1.421 1186 I CB -0.212 37.833 38.000 0.076 0.000 1.079 1186 I HN 0.203 nan 8.210 nan 0.000 0.431 1187 D N 0.776 121.260 120.400 0.140 0.000 2.213 1187 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 1187 D C 2.239 178.589 176.300 0.083 0.000 0.961 1187 D CA 1.170 55.268 54.000 0.163 0.000 0.853 1187 D CB 0.117 41.017 40.800 0.166 0.000 0.967 1187 D HN 0.300 nan 8.370 nan 0.000 0.496 1188 A N 1.235 124.064 122.820 0.015 0.000 1.872 1188 A HA -0.135 4.184 4.320 -0.000 0.000 0.214 1188 A C 1.840 179.506 177.584 0.136 0.000 1.187 1188 A CA 1.277 53.279 52.037 -0.059 0.000 0.614 1188 A CB -0.227 18.652 19.000 -0.201 0.000 0.826 1188 A HN -0.031 nan 8.150 nan 0.000 0.442 1189 D N -0.388 120.102 120.400 0.151 0.000 2.077 1189 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 1189 D C 1.445 177.810 176.300 0.108 0.000 0.989 1189 D CA 1.186 55.271 54.000 0.141 0.000 0.831 1189 D CB -0.611 40.267 40.800 0.131 0.000 0.979 1189 D HN 0.385 nan 8.370 nan 0.000 0.449 1190 F N 0.227 120.166 119.950 -0.019 0.000 2.481 1190 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 1190 F C 2.221 177.930 175.800 -0.153 0.000 1.095 1190 F CA 0.643 58.578 58.000 -0.107 0.000 1.465 1190 F CB -0.079 38.793 39.000 -0.214 0.000 1.098 1190 F HN -0.029 nan 8.300 nan 0.000 0.585 1191 M N -1.787 117.859 119.600 0.077 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.059 178.364 176.300 0.008 0.000 1.152 1191 M CA 0.687 56.008 55.300 0.036 0.000 1.145 1191 M CB -0.766 31.897 32.600 0.105 0.000 1.333 1191 M HN 0.221 nan 8.290 nan 0.000 0.477 1192 L N 0.864 122.110 121.223 0.037 0.000 2.131 1192 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 1192 L C 1.974 178.761 176.870 -0.139 0.000 1.087 1192 L CA 1.851 56.634 54.840 -0.096 0.000 0.767 1192 L CB -0.516 41.495 42.059 -0.079 0.000 0.917 1192 L HN 0.127 nan 8.230 nan 0.000 0.441 1193 K N -1.081 119.221 120.400 -0.163 0.000 2.280 1193 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.202 176.600 -0.265 0.000 1.047 1193 K CA 1.240 57.391 56.287 -0.227 0.000 0.942 1193 K CB -0.088 32.206 32.500 -0.342 0.000 0.739 1193 K HN 0.282 nan 8.250 nan 0.000 0.457 1194 V N 0.901 120.647 119.914 -0.280 0.000 2.878 1194 V HA -0.096 4.024 4.120 -0.000 0.000 0.250 1194 V C 1.957 177.904 176.094 -0.246 0.000 1.075 1194 V CA 1.150 63.209 62.300 -0.403 0.000 1.096 1194 V CB -0.166 31.424 31.823 -0.389 0.000 0.724 1194 V HN 0.259 nan 8.190 nan 0.000 0.467 1195 E N 0.563 120.663 120.200 -0.165 0.000 2.015 1195 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 1195 E C 2.254 178.802 176.600 -0.088 0.000 0.991 1195 E CA 1.382 57.713 56.400 -0.114 0.000 0.802 1195 E CB -0.151 29.476 29.700 -0.123 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.642 121.807 121.223 -0.096 0.000 1.970 1196 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 1196 L C 2.729 179.591 176.870 -0.014 0.000 1.071 1196 L CA 1.231 56.036 54.840 -0.058 0.000 0.751 1196 L CB -0.798 41.214 42.059 -0.078 0.000 0.889 1196 L HN 0.137 nan 8.230 nan 0.000 0.432 1197 A N 0.470 123.264 122.820 -0.044 0.000 1.958 1197 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 1197 A C 2.412 180.060 177.584 0.106 0.000 1.178 1197 A CA 2.753 54.812 52.037 0.036 0.000 0.642 1197 A CB -1.086 17.899 19.000 -0.024 0.000 0.816 1197 A HN 0.621 nan 8.150 nan 0.000 0.453 1198 T N -4.371 110.214 114.554 0.050 0.000 2.978 1198 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 1198 T C 1.773 176.491 174.700 0.031 0.000 1.063 1198 T CA 1.649 63.791 62.100 0.071 0.000 1.140 1198 T CB -0.691 68.209 68.868 0.053 0.000 0.886 1198 T HN 0.313 nan 8.240 nan 0.000 0.470 1199 T N 1.135 115.704 114.554 0.026 0.000 2.708 1199 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 1199 T C 1.758 176.484 174.700 0.044 0.000 1.037 1199 T CA 1.811 63.925 62.100 0.023 0.000 1.146 1199 T CB -0.554 68.325 68.868 0.017 0.000 0.865 1199 T HN 0.679 nan 8.240 nan 0.000 0.435 1200 H N 0.706 119.767 119.070 -0.015 0.000 2.389 1200 H HA 0.094 4.650 4.556 -0.000 0.000 0.299 1200 H C 1.948 177.270 175.328 -0.011 0.000 1.081 1200 H CA 0.903 56.945 56.048 -0.010 0.000 1.345 1200 H CB -0.530 29.228 29.762 -0.007 0.000 1.393 1200 H HN 0.152 nan 8.280 nan 0.000 0.520 1201 L N 0.009 121.175 121.223 -0.095 0.000 2.265 1201 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 1201 L C 2.086 178.847 176.870 -0.181 0.000 1.117 1201 L CA 1.362 56.104 54.840 -0.163 0.000 0.782 1201 L CB -0.628 41.403 42.059 -0.046 0.000 0.914 1201 L HN 0.236 nan 8.230 nan 0.000 0.441 1202 S N -1.327 114.300 115.700 -0.122 0.000 2.335 1202 S HA -0.155 4.315 4.470 -0.000 0.000 0.217 1202 S C 1.785 176.320 174.600 -0.109 0.000 1.032 1202 S CA 1.634 59.774 58.200 -0.100 0.000 0.985 1202 S CB -0.533 62.636 63.200 -0.053 0.000 0.896 1202 S HN 0.534 nan 8.310 nan 0.000 0.445 1203 T N 2.561 117.047 114.554 -0.114 0.000 2.624 1203 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 1203 T C 1.871 176.494 174.700 -0.129 0.000 1.041 1203 T CA 1.887 63.928 62.100 -0.098 0.000 1.159 1203 T CB -0.435 68.385 68.868 -0.080 0.000 0.863 1203 T HN 0.196 nan 8.240 nan 0.000 0.434 1204 M N 1.019 120.467 119.600 -0.254 0.000 2.082 1204 M HA -0.093 4.387 4.480 -0.000 0.000 0.258 1204 M C 2.180 178.417 176.300 -0.106 0.000 1.069 1204 M CA 1.452 56.629 55.300 -0.205 0.000 1.102 1204 M CB -0.753 31.663 32.600 -0.307 0.000 1.336 1204 M HN 0.099 nan 8.290 nan 0.000 0.404 1205 V N 0.237 120.062 119.914 -0.148 0.000 2.343 1205 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 1205 V C 2.401 178.517 176.094 0.037 0.000 1.051 1205 V CA 2.035 64.264 62.300 -0.117 0.000 1.036 1205 V CB -0.807 30.860 31.823 -0.259 0.000 0.654 1205 V HN 0.465 nan 8.190 nan 0.000 0.451 1206 R N 0.074 120.580 120.500 0.009 0.000 2.096 1206 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 1206 R C 2.404 178.749 176.300 0.075 0.000 1.127 1206 R CA 1.447 57.577 56.100 0.050 0.000 0.968 1206 R CB -0.578 29.735 30.300 0.023 0.000 0.861 1206 R HN 0.558 nan 8.270 nan 0.000 0.440 1207 A N 0.845 123.698 122.820 0.055 0.000 1.855 1207 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 1207 A C 2.368 180.021 177.584 0.116 0.000 1.191 1207 A CA 1.371 53.451 52.037 0.071 0.000 0.613 1207 A CB -0.583 18.445 19.000 0.046 0.000 0.829 1207 A HN 0.106 nan 8.150 nan 0.000 0.442 1208 V N 0.524 120.524 119.914 0.144 0.000 2.469 1208 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 1208 V C 2.376 178.615 176.094 0.242 0.000 1.064 1208 V CA 1.933 64.359 62.300 0.210 0.000 1.066 1208 V CB -0.864 31.134 31.823 0.292 0.000 0.667 1208 V HN 0.549 nan 8.190 nan 0.000 0.461 1209 I N 0.741 121.451 120.570 0.233 0.000 2.142 1209 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 1209 I C 2.493 178.740 176.117 0.216 0.000 1.078 1209 I CA 2.188 63.616 61.300 0.213 0.000 1.343 1209 I CB -0.594 37.517 38.000 0.185 0.000 1.046 1209 I HN 0.422 nan 8.210 nan 0.000 0.405 1210 N N 1.499 120.299 118.700 0.168 0.000 2.043 1210 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 1210 N C 1.856 177.459 175.510 0.156 0.000 1.037 1210 N CA 1.988 55.125 53.050 0.145 0.000 0.851 1210 N CB -0.200 38.350 38.487 0.105 0.000 1.027 1210 N HN 0.303 nan 8.380 nan 0.000 0.422 1211 A N -0.944 121.969 122.820 0.154 0.000 1.940 1211 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1211 A C 2.229 179.914 177.584 0.169 0.000 1.176 1211 A CA 1.574 53.696 52.037 0.140 0.000 0.631 1211 A CB -1.212 17.869 19.000 0.135 0.000 0.814 1211 A HN 0.657 nan 8.150 nan 0.000 0.446 1212 Y N 0.160 120.526 120.300 0.111 0.000 2.176 1212 Y HA -0.010 4.540 4.550 -0.000 0.000 0.291 1212 Y C 1.914 177.931 175.900 0.195 0.000 1.122 1212 Y CA 1.604 59.782 58.100 0.129 0.000 1.128 1212 Y CB -0.269 38.244 38.460 0.088 0.000 1.005 1212 Y HN 0.165 nan 8.280 nan 0.000 0.509 1213 L N 0.084 121.518 121.223 0.351 0.000 2.349 1213 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 1213 L C 2.024 179.067 176.870 0.288 0.000 1.130 1213 L CA 0.998 56.010 54.840 0.287 0.000 0.791 1213 L CB -0.475 41.734 42.059 0.250 0.000 0.918 1213 L HN 0.394 nan 8.230 nan 0.000 0.444 1214 L N -1.030 120.290 121.223 0.161 0.000 2.189 1214 L HA -0.012 4.328 4.340 -0.000 0.000 0.199 1214 L C 1.785 178.636 176.870 -0.032 0.000 1.074 1214 L CA 0.696 55.585 54.840 0.082 0.000 0.783 1214 L CB -0.319 41.771 42.059 0.051 0.000 0.955 1214 L HN 0.284 nan 8.230 nan 0.000 0.460 1215 N N 0.142 118.805 118.700 -0.063 0.000 2.398 1215 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 1215 N C 1.654 177.011 175.510 -0.254 0.000 1.122 1215 N CA 0.369 53.328 53.050 -0.153 0.000 0.866 1215 N CB 0.083 38.519 38.487 -0.084 0.000 0.970 1215 N HN 0.559 nan 8.380 nan 0.000 0.462 1216 W N 2.521 123.585 121.300 -0.394 0.000 2.308 1216 W HA -0.166 4.494 4.660 -0.000 0.000 0.301 1216 W C 1.060 177.418 176.519 -0.269 0.000 1.220 1216 W CA 0.563 57.600 57.345 -0.512 0.000 1.240 1216 W CB -0.799 28.214 29.460 -0.745 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.646 120.313 120.400 -1.221 0.000 2.032 1217 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 1217 K C 2.153 178.482 176.600 -0.452 0.000 1.048 1217 K CA 1.747 57.404 56.287 -1.050 0.000 0.927 1217 K CB -0.274 31.593 32.500 -1.054 0.000 0.712 1217 K HN -0.075 nan 8.250 nan 0.000 0.441 1218 K N 1.036 121.227 120.400 -0.349 0.000 2.211 1218 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 1218 K C 2.081 178.600 176.600 -0.135 0.000 1.050 1218 K CA 0.805 56.972 56.287 -0.200 0.000 0.945 1218 K CB -0.169 32.235 32.500 -0.160 0.000 0.732 1218 K HN 0.206 nan 8.250 nan 0.000 0.451 1219 L N 0.420 121.565 121.223 -0.129 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.094 178.950 176.870 -0.023 0.000 1.085 1219 L CA 0.766 55.571 54.840 -0.060 0.000 0.755 1219 L CB -0.303 41.734 42.059 -0.037 0.000 0.904 1219 L HN 0.065 nan 8.230 nan 0.000 0.435 1220 I N -1.237 119.324 120.570 -0.015 0.000 2.494 1220 I HA -0.053 4.117 4.170 -0.000 0.000 0.250 1220 I C 0.992 177.098 176.117 -0.017 0.000 1.112 1220 I CA 0.899 62.211 61.300 0.020 0.000 1.438 1220 I CB -0.441 37.609 38.000 0.082 0.000 1.111 1220 I HN 0.251 nan 8.210 nan 0.000 0.431 1221 Q N 2.056 121.819 119.800 -0.061 0.000 2.706 1221 Q HA 0.240 4.580 4.340 -0.000 0.000 0.250 1221 Q C -1.627 174.329 176.000 -0.074 0.000 1.120 1221 Q CA -1.662 54.102 55.803 -0.064 0.000 0.972 1221 Q CB 1.247 29.934 28.738 -0.083 0.000 1.173 1221 Q HN 0.261 nan 8.270 nan 0.000 0.522 1222 P HA -0.118 nan 4.420 nan 0.000 0.218 1222 P C -0.047 177.224 177.300 -0.048 0.000 1.149 1222 P CA 0.886 63.954 63.100 -0.053 0.000 0.817 1222 P CB 0.733 32.409 31.700 -0.040 0.000 0.785 1223 R N -0.418 120.056 120.500 -0.043 0.000 2.628 1223 R HA 0.426 4.766 4.340 -0.000 0.000 0.288 1223 R C -0.380 175.895 176.300 -0.043 0.000 0.980 1223 R CA -0.398 55.678 56.100 -0.041 0.000 0.891 1223 R CB 1.833 32.113 30.300 -0.034 0.000 1.188 1223 R HN -0.072 nan 8.270 nan 0.000 0.450 1224 T N -0.664 113.864 114.554 -0.044 0.000 3.053 1224 T HA 0.371 4.721 4.350 -0.000 0.000 0.363 1224 T C 0.584 175.258 174.700 -0.044 0.000 1.239 1224 T CA -0.833 61.243 62.100 -0.040 0.000 1.071 1224 T CB 1.167 70.012 68.868 -0.038 0.000 1.089 1224 T HN 0.659 nan 8.240 nan 0.000 0.527 1225 G N 1.990 110.762 108.800 -0.047 0.000 2.414 1225 G HA2 0.421 4.381 3.960 -0.000 0.000 0.236 1225 G HA3 0.421 4.381 3.960 -0.000 0.000 0.236 1225 G C 0.122 174.964 174.900 -0.097 0.000 1.293 1225 G CA -0.244 44.815 45.100 -0.067 0.000 0.869 1225 G HN 1.652 nan 8.290 nan 0.000 0.556 1226 S N 0.399 115.991 115.700 -0.180 0.000 2.465 1226 S HA 0.147 4.617 4.470 -0.000 0.000 0.186 1226 S C -1.421 172.806 174.600 -0.622 0.000 0.839 1226 S CA -0.956 57.000 58.200 -0.407 0.000 1.037 1226 S CB 0.804 63.851 63.200 -0.255 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.808 122.929 120.400 -0.464 0.000 2.500 1227 D HA 0.337 4.977 4.640 -0.000 0.000 0.219 1227 D C 0.860 176.994 176.300 -0.276 0.000 1.137 1227 D CA -0.400 53.418 54.000 -0.304 0.000 0.946 1227 D CB 0.310 41.023 40.800 -0.145 0.000 1.022 1227 D HN 0.557 nan 8.370 nan 0.000 0.518 1228 H N 1.131 120.194 119.070 -0.012 0.000 2.582 1228 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 1228 H C 1.520 176.843 175.328 -0.010 0.000 0.962 1228 H CA 0.475 56.516 56.048 -0.011 0.000 1.230 1228 H CB 0.336 30.091 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.622 120.264 119.600 0.071 0.000 2.134 1229 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 1229 M C 0.771 177.081 176.300 0.017 0.000 1.076 1229 M CA 0.614 55.937 55.300 0.039 0.000 1.143 1229 M CB 0.190 32.802 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.550 121.462 119.914 -0.003 0.000 2.686 1230 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 1230 V C 0.256 176.348 176.094 -0.003 0.000 1.055 1230 V CA -0.283 62.013 62.300 -0.008 0.000 1.050 1230 V CB 0.685 32.496 31.823 -0.020 0.000 0.984 1230 V HN 0.610 nan 8.190 nan 0.000 0.482 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