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 1czd_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKLSKDTTAL LKNFATINSG IMLKSGQFIM TRAVNGTTYA EANISDVIDF DATA SEQUENCE DVAIYDLNGF LGILSLVNDD AEISQSEDGN IKIADARSTI FWPAADPSTV DATA SEQUENCE VAPNKPIPFP VASAVTEIKA EDLQQLLRVS RGLQIDTIAI TVKEGKIVIN DATA SEQUENCE GFNKVEDSAL TRVKYSLTLG DYDGENTFNF IINMANMKMQ PGNYKLLLWA DATA SEQUENCE KGKQGAAKFE GEHANYVVAL EADSTHDF 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.347 176.300 0.079 0.000 1.140 1001 M CA 0.000 55.364 55.300 0.107 0.000 0.988 1001 M CB 0.000 32.686 32.600 0.143 0.000 1.302 1002 K N 1.516 121.943 120.400 0.046 0.000 2.435 1002 K HA 0.833 5.153 4.320 -0.000 0.000 0.251 1002 K C -1.720 174.884 176.600 0.007 0.000 0.954 1002 K CA -0.832 55.468 56.287 0.022 0.000 0.820 1002 K CB 3.089 35.593 32.500 0.007 0.000 1.292 1002 K HN 0.690 nan 8.250 nan 0.000 0.436 1003 L N 2.234 123.450 121.223 -0.013 0.000 2.342 1003 L HA 0.271 4.611 4.340 -0.000 0.000 0.276 1003 L C 0.424 177.266 176.870 -0.047 0.000 0.997 1003 L CA -0.708 54.113 54.840 -0.030 0.000 0.838 1003 L CB 1.655 43.694 42.059 -0.034 0.000 1.224 1003 L HN 0.774 nan 8.230 nan 0.000 0.416 1004 S N 2.101 117.776 115.700 -0.041 0.000 2.606 1004 S HA 0.100 4.570 4.470 -0.000 0.000 0.257 1004 S C 1.193 175.762 174.600 -0.052 0.000 1.327 1004 S CA -0.276 57.900 58.200 -0.040 0.000 0.984 1004 S CB 0.881 64.064 63.200 -0.029 0.000 0.941 1004 S HN 0.793 nan 8.310 nan 0.000 0.576 1005 K N 0.405 120.776 120.400 -0.047 0.000 2.057 1005 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 1005 K C 1.044 177.612 176.600 -0.055 0.000 1.049 1005 K CA 1.679 57.933 56.287 -0.055 0.000 0.931 1005 K CB -0.655 31.817 32.500 -0.047 0.000 0.714 1005 K HN 0.602 nan 8.250 nan 0.000 0.440 1006 D N 1.081 121.461 120.400 -0.032 0.000 2.117 1006 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 1006 D C 1.882 178.159 176.300 -0.040 0.000 0.987 1006 D CA 1.788 55.780 54.000 -0.013 0.000 0.829 1006 D CB -0.261 40.576 40.800 0.062 0.000 0.961 1006 D HN 0.318 nan 8.370 nan 0.000 0.460 1007 T N 0.621 115.141 114.554 -0.057 0.000 2.746 1007 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 1007 T C 2.186 176.806 174.700 -0.133 0.000 1.039 1007 T CA 2.055 64.094 62.100 -0.101 0.000 1.142 1007 T CB -0.367 68.449 68.868 -0.087 0.000 0.866 1007 T HN 0.339 nan 8.240 nan 0.000 0.444 1008 T N 0.771 115.260 114.554 -0.109 0.000 2.904 1008 T HA 0.142 4.492 4.350 -0.000 0.000 0.267 1008 T C 2.249 176.879 174.700 -0.118 0.000 1.059 1008 T CA 0.904 62.934 62.100 -0.117 0.000 1.137 1008 T CB -0.449 68.347 68.868 -0.120 0.000 0.879 1008 T HN 0.321 nan 8.240 nan 0.000 0.467 1009 A N 1.140 123.895 122.820 -0.107 0.000 1.969 1009 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 1009 A C 2.351 179.865 177.584 -0.117 0.000 1.169 1009 A CA 0.839 52.817 52.037 -0.098 0.000 0.635 1009 A CB -0.802 18.144 19.000 -0.091 0.000 0.810 1009 A HN 0.509 nan 8.150 nan 0.000 0.445 1010 L N -0.691 120.428 121.223 -0.174 0.000 2.044 1010 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 1010 L C 2.495 179.101 176.870 -0.440 0.000 1.075 1010 L CA 0.922 55.582 54.840 -0.300 0.000 0.747 1010 L CB -0.299 41.520 42.059 -0.400 0.000 0.903 1010 L HN 0.383 nan 8.230 nan 0.000 0.435 1011 L N -0.244 120.760 121.223 -0.366 0.000 2.079 1011 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 1011 L C 2.590 179.410 176.870 -0.084 0.000 1.081 1011 L CA 1.355 56.038 54.840 -0.263 0.000 0.752 1011 L CB -0.493 41.471 42.059 -0.158 0.000 0.896 1011 L HN 0.270 nan 8.230 nan 0.000 0.433 1012 K N 0.409 120.766 120.400 -0.072 0.000 2.097 1012 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 1012 K C 2.022 178.640 176.600 0.031 0.000 1.049 1012 K CA 1.569 57.843 56.287 -0.023 0.000 0.933 1012 K CB -0.130 32.345 32.500 -0.041 0.000 0.717 1012 K HN 0.313 nan 8.250 nan 0.000 0.442 1013 N N -0.198 118.535 118.700 0.056 0.000 2.171 1013 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 1013 N C 1.528 177.217 175.510 0.299 0.000 1.021 1013 N CA 1.012 54.157 53.050 0.160 0.000 0.854 1013 N CB -0.077 38.540 38.487 0.217 0.000 0.994 1013 N HN 0.102 nan 8.380 nan 0.000 0.426 1014 F N 1.757 121.701 119.950 -0.011 0.000 2.269 1014 F HA 0.078 4.605 4.527 0.000 0.000 0.301 1014 F C 2.558 178.334 175.800 -0.040 0.000 1.082 1014 F CA 0.408 58.384 58.000 -0.039 0.000 1.360 1014 F CB -1.136 37.808 39.000 -0.094 0.000 1.041 1014 F HN 0.102 nan 8.300 nan 0.000 0.512 1015 A N -0.329 122.590 122.820 0.164 0.000 2.067 1015 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 1015 A C 2.220 179.828 177.584 0.039 0.000 1.158 1015 A CA 1.953 54.033 52.037 0.072 0.000 0.661 1015 A CB -1.184 17.844 19.000 0.046 0.000 0.801 1015 A HN 0.406 nan 8.150 nan 0.000 0.452 1016 T N -2.888 111.695 114.554 0.047 0.000 3.067 1016 T HA 0.170 4.520 4.350 -0.000 0.000 0.261 1016 T C 1.649 176.347 174.700 -0.004 0.000 1.110 1016 T CA 0.949 63.057 62.100 0.014 0.000 1.113 1016 T CB -0.333 68.539 68.868 0.007 0.000 0.917 1016 T HN 0.352 nan 8.240 nan 0.000 0.499 1017 I N 0.742 121.310 120.570 -0.003 0.000 2.494 1017 I HA 0.202 4.372 4.170 -0.000 0.000 0.250 1017 I C 0.813 176.904 176.117 -0.044 0.000 1.112 1017 I CA 0.317 61.593 61.300 -0.040 0.000 1.438 1017 I CB 0.143 38.085 38.000 -0.097 0.000 1.111 1017 I HN 0.251 nan 8.210 nan 0.000 0.431 1018 N N -0.347 118.329 118.700 -0.039 0.000 2.425 1018 N HA 0.050 4.790 4.740 -0.000 0.000 0.289 1018 N C 0.503 175.987 175.510 -0.045 0.000 1.074 1018 N CA 0.082 53.104 53.050 -0.046 0.000 0.905 1018 N CB 1.767 40.222 38.487 -0.052 0.000 1.586 1018 N HN -0.040 nan 8.380 nan 0.000 0.490 1019 S N 0.861 116.516 115.700 -0.075 0.000 2.474 1019 S HA 0.100 4.570 4.470 -0.000 0.000 0.235 1019 S C 0.945 175.476 174.600 -0.115 0.000 0.997 1019 S CA 0.800 58.946 58.200 -0.090 0.000 0.949 1019 S CB -0.114 63.007 63.200 -0.132 0.000 0.766 1019 S HN 0.577 nan 8.310 nan 0.000 0.517 1020 G N -0.088 108.629 108.800 -0.139 0.000 2.644 1020 G HA2 0.768 4.728 3.960 -0.000 0.000 0.307 1020 G HA3 0.768 4.728 3.960 -0.000 0.000 0.307 1020 G C -1.339 173.539 174.900 -0.037 0.000 1.250 1020 G CA -0.975 44.057 45.100 -0.112 0.000 0.996 1020 G HN 0.416 nan 8.290 nan 0.000 0.489 1021 I N -0.702 119.860 120.570 -0.013 0.000 2.908 1021 I HA 0.502 4.672 4.170 -0.000 0.000 0.300 1021 I C -1.631 174.479 176.117 -0.010 0.000 1.385 1021 I CA -1.133 60.164 61.300 -0.005 0.000 1.004 1021 I CB 2.458 40.462 38.000 0.006 0.000 1.309 1021 I HN 0.526 nan 8.210 nan 0.000 0.449 1022 M N 7.369 126.966 119.600 -0.005 0.000 2.044 1022 M HA 0.518 4.998 4.480 -0.000 0.000 0.333 1022 M C -1.931 174.353 176.300 -0.028 0.000 1.004 1022 M CA -0.173 55.122 55.300 -0.009 0.000 0.954 1022 M CB 0.738 33.348 32.600 0.017 0.000 1.468 1022 M HN 0.330 nan 8.290 nan 0.000 0.414 1023 L N 5.305 126.481 121.223 -0.078 0.000 2.312 1023 L HA 0.542 4.882 4.340 -0.000 0.000 0.281 1023 L C -0.141 176.669 176.870 -0.098 0.000 1.070 1023 L CA -0.483 54.293 54.840 -0.106 0.000 0.805 1023 L CB 1.029 42.970 42.059 -0.196 0.000 1.174 1023 L HN 0.618 nan 8.230 nan 0.000 0.434 1024 K N 1.464 121.836 120.400 -0.048 0.000 2.371 1024 K HA 0.350 4.670 4.320 -0.000 0.000 0.251 1024 K C -0.433 176.158 176.600 -0.014 0.000 0.934 1024 K CA -0.735 55.540 56.287 -0.020 0.000 0.798 1024 K CB 2.151 34.674 32.500 0.037 0.000 1.204 1024 K HN 0.661 nan 8.250 nan 0.000 0.427 1025 S N 0.856 116.549 115.700 -0.011 0.000 2.593 1025 S HA 0.342 4.811 4.470 -0.000 0.000 0.300 1025 S C 0.612 175.230 174.600 0.031 0.000 1.267 1025 S CA 0.470 58.677 58.200 0.011 0.000 1.065 1025 S CB 0.001 63.226 63.200 0.041 0.000 0.807 1025 S HN 0.966 nan 8.310 nan 0.000 0.499 1026 G N 2.366 111.186 108.800 0.033 0.000 2.293 1026 G HA2 0.069 4.029 3.960 -0.000 0.000 0.282 1026 G HA3 0.069 4.029 3.960 -0.000 0.000 0.282 1026 G C -0.873 174.059 174.900 0.053 0.000 1.299 1026 G CA -0.641 44.488 45.100 0.048 0.000 1.018 1026 G HN 0.658 nan 8.290 nan 0.000 0.478 1027 Q N -0.486 119.362 119.800 0.080 0.000 2.211 1027 Q HA 0.441 4.781 4.340 -0.000 0.000 0.301 1027 Q C -0.945 175.137 176.000 0.136 0.000 0.884 1027 Q CA -0.143 55.702 55.803 0.070 0.000 1.115 1027 Q CB 0.993 29.759 28.738 0.046 0.000 1.217 1027 Q HN 0.383 nan 8.270 nan 0.000 0.451 1028 F N 1.745 121.681 119.950 -0.023 0.000 2.547 1028 F HA 0.566 5.093 4.527 -0.000 0.000 0.316 1028 F C -1.127 174.668 175.800 -0.007 0.000 1.121 1028 F CA -1.228 56.765 58.000 -0.012 0.000 0.911 1028 F CB 1.149 40.150 39.000 0.001 0.000 1.179 1028 F HN -0.036 nan 8.300 nan 0.000 0.443 1029 I N 4.788 124.986 120.570 -0.621 0.000 2.892 1029 I HA 0.809 4.979 4.170 -0.000 0.000 0.306 1029 I C -1.263 174.525 176.117 -0.548 0.000 1.078 1029 I CA -1.175 59.894 61.300 -0.386 0.000 1.032 1029 I CB 2.352 40.213 38.000 -0.232 0.000 1.229 1029 I HN 0.815 nan 8.210 nan 0.000 0.435 1030 M N 2.467 121.939 119.600 -0.213 0.000 2.562 1030 M HA 0.754 5.234 4.480 -0.000 0.000 0.281 1030 M C -1.080 175.080 176.300 -0.233 0.000 1.195 1030 M CA -0.345 54.773 55.300 -0.304 0.000 0.888 1030 M CB 2.375 34.865 32.600 -0.183 0.000 1.731 1030 M HN 0.727 nan 8.290 nan 0.000 0.493 1031 T N 0.180 114.429 114.554 -0.508 0.000 2.769 1031 T HA 0.850 5.200 4.350 -0.000 0.000 0.306 1031 T C -2.147 172.343 174.700 -0.350 0.000 1.400 1031 T CA -0.848 61.056 62.100 -0.326 0.000 1.007 1031 T CB 1.984 70.687 68.868 -0.274 0.000 1.392 1031 T HN 1.073 nan 8.240 nan 0.000 0.500 1032 R N 0.885 121.301 120.500 -0.140 0.000 2.680 1032 R HA 0.843 5.183 4.340 -0.000 0.000 0.269 1032 R C -0.795 175.486 176.300 -0.031 0.000 1.026 1032 R CA -1.125 54.950 56.100 -0.042 0.000 0.889 1032 R CB 1.077 31.444 30.300 0.111 0.000 1.241 1032 R HN 0.722 nan 8.270 nan 0.000 0.463 1033 A N 1.523 124.334 122.820 -0.015 0.000 2.483 1033 A HA 0.233 4.553 4.320 -0.000 0.000 0.238 1033 A C 1.242 178.829 177.584 0.005 0.000 1.070 1033 A CA -0.469 51.561 52.037 -0.011 0.000 0.770 1033 A CB 0.437 19.436 19.000 -0.003 0.000 1.008 1033 A HN 0.623 nan 8.150 nan 0.000 0.497 1034 V N 1.710 121.624 119.914 0.001 0.000 2.439 1034 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 1034 V C 1.899 178.005 176.094 0.019 0.000 1.074 1034 V CA 2.570 64.877 62.300 0.011 0.000 1.076 1034 V CB -1.121 30.707 31.823 0.009 0.000 0.664 1034 V HN 1.075 nan 8.190 nan 0.000 0.461 1035 N N 0.026 118.737 118.700 0.018 0.000 2.268 1035 N HA 0.218 4.958 4.740 -0.000 0.000 0.204 1035 N C 1.210 176.738 175.510 0.030 0.000 1.124 1035 N CA 0.631 53.695 53.050 0.023 0.000 0.838 1035 N CB 0.197 38.696 38.487 0.021 0.000 0.994 1035 N HN 0.348 nan 8.380 nan 0.000 0.489 1036 G N -0.061 108.760 108.800 0.035 0.000 2.233 1036 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.270 1036 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.270 1036 G C 0.943 175.874 174.900 0.052 0.000 1.011 1036 G CA 1.205 46.333 45.100 0.046 0.000 0.762 1036 G HN 0.643 nan 8.290 nan 0.000 0.511 1037 T N -4.118 110.464 114.554 0.046 0.000 3.035 1037 T HA 0.369 4.719 4.350 -0.000 0.000 0.259 1037 T C 1.030 175.769 174.700 0.064 0.000 1.078 1037 T CA 1.549 63.680 62.100 0.051 0.000 1.132 1037 T CB 0.710 69.601 68.868 0.038 0.000 0.900 1037 T HN 0.997 nan 8.240 nan 0.000 0.480 1038 T N 0.475 115.066 114.554 0.062 0.000 2.916 1038 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 1038 T C -2.125 172.633 174.700 0.096 0.000 1.031 1038 T CA -0.924 61.220 62.100 0.074 0.000 0.993 1038 T CB 1.540 70.423 68.868 0.025 0.000 1.045 1038 T HN 0.356 nan 8.240 nan 0.000 0.454 1039 Y N 3.157 123.433 120.300 -0.040 0.000 2.536 1039 Y HA 0.782 5.332 4.550 0.000 0.000 0.347 1039 Y C -1.136 174.645 175.900 -0.198 0.000 1.000 1039 Y CA -0.652 57.383 58.100 -0.109 0.000 1.051 1039 Y CB 1.826 40.248 38.460 -0.062 0.000 1.259 1039 Y HN 0.934 nan 8.280 nan 0.000 0.468 1040 A N 4.077 126.194 122.820 -1.172 0.000 2.549 1040 A HA 0.726 5.046 4.320 -0.000 0.000 0.297 1040 A C -1.733 175.046 177.584 -1.342 0.000 1.061 1040 A CA -0.712 50.589 52.037 -1.226 0.000 0.690 1040 A CB 1.659 19.800 19.000 -1.432 0.000 1.287 1040 A HN 0.830 nan 8.150 nan 0.000 0.402 1041 E N 0.193 119.934 120.200 -0.765 0.000 2.413 1041 E HA 0.839 5.189 4.350 -0.000 0.000 0.277 1041 E C -0.759 175.713 176.600 -0.213 0.000 0.958 1041 E CA -0.927 55.193 56.400 -0.467 0.000 0.779 1041 E CB 2.208 31.807 29.700 -0.167 0.000 1.278 1041 E HN 1.761 nan 8.360 nan 0.000 0.456 1042 A N 1.638 124.239 122.820 -0.364 0.000 2.594 1042 A HA 0.527 4.847 4.320 -0.000 0.000 0.296 1042 A C -1.766 175.687 177.584 -0.218 0.000 1.056 1042 A CA -0.963 50.960 52.037 -0.190 0.000 0.693 1042 A CB 1.330 20.254 19.000 -0.126 0.000 1.278 1042 A HN 0.625 nan 8.150 nan 0.000 0.408 1043 N N 0.521 119.198 118.700 -0.039 0.000 2.438 1043 N HA 0.667 5.407 4.740 -0.000 0.000 0.282 1043 N C -0.191 175.286 175.510 -0.055 0.000 1.037 1043 N CA -0.382 52.687 53.050 0.030 0.000 0.942 1043 N CB 1.428 39.962 38.487 0.079 0.000 1.136 1043 N HN 0.712 nan 8.380 nan 0.000 0.481 1044 I N -1.762 118.778 120.570 -0.051 0.000 2.910 1044 I HA 0.491 4.661 4.170 -0.000 0.000 0.310 1044 I C 1.040 177.129 176.117 -0.048 0.000 1.043 1044 I CA -0.830 60.426 61.300 -0.074 0.000 1.053 1044 I CB 2.037 39.980 38.000 -0.095 0.000 1.242 1044 I HN 0.490 nan 8.210 nan 0.000 0.452 1045 S N 0.263 115.932 115.700 -0.051 0.000 2.470 1045 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 1045 S C 0.465 175.051 174.600 -0.023 0.000 1.006 1045 S CA 0.099 58.277 58.200 -0.036 0.000 0.934 1045 S CB -0.459 62.718 63.200 -0.037 0.000 0.778 1045 S HN 0.732 nan 8.310 nan 0.000 0.517 1046 D N 1.089 121.473 120.400 -0.027 0.000 2.354 1046 D HA 0.368 5.008 4.640 -0.000 0.000 0.247 1046 D C -0.749 175.546 176.300 -0.008 0.000 1.138 1046 D CA -0.126 53.864 54.000 -0.016 0.000 0.958 1046 D CB 1.915 42.702 40.800 -0.023 0.000 1.144 1046 D HN 0.163 nan 8.370 nan 0.000 0.458 1047 V N 1.883 121.799 119.914 0.005 0.000 2.487 1047 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 1047 V C -0.536 175.571 176.094 0.021 0.000 1.028 1047 V CA -0.663 61.645 62.300 0.014 0.000 0.860 1047 V CB 1.196 33.032 31.823 0.023 0.000 0.991 1047 V HN 0.355 nan 8.190 nan 0.000 0.427 1048 I N 6.480 127.053 120.570 0.005 0.000 2.416 1048 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 1048 I C 0.307 176.441 176.117 0.028 0.000 1.051 1048 I CA -0.107 61.181 61.300 -0.021 0.000 1.375 1048 I CB 1.277 39.225 38.000 -0.086 0.000 1.407 1048 I HN 0.828 nan 8.210 nan 0.000 0.516 1049 D N 5.455 125.926 120.400 0.119 0.000 2.424 1049 D HA 0.166 4.806 4.640 -0.000 0.000 0.220 1049 D C -0.380 176.126 176.300 0.344 0.000 1.150 1049 D CA -0.129 53.991 54.000 0.200 0.000 0.831 1049 D CB 0.098 41.014 40.800 0.194 0.000 0.981 1049 D HN 0.281 nan 8.370 nan 0.000 0.500 1050 F N -2.046 117.917 119.950 0.022 0.000 2.725 1050 F HA 0.519 5.046 4.527 -0.000 0.000 0.309 1050 F C -1.820 173.992 175.800 0.020 0.000 1.132 1050 F CA -1.637 56.376 58.000 0.022 0.000 0.957 1050 F CB 0.661 39.675 39.000 0.025 0.000 1.286 1050 F HN -0.399 nan 8.300 nan 0.000 0.440 1051 D N 2.058 122.476 120.400 0.031 0.000 2.295 1051 D HA 0.527 5.167 4.640 -0.000 0.000 0.248 1051 D C -0.884 175.388 176.300 -0.047 0.000 1.154 1051 D CA 0.091 54.057 54.000 -0.056 0.000 0.857 1051 D CB 1.786 42.599 40.800 0.023 0.000 1.117 1051 D HN 0.713 nan 8.370 nan 0.000 0.468 1052 V N 1.074 120.888 119.914 -0.167 0.000 3.012 1052 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 1052 V C -1.529 174.516 176.094 -0.082 0.000 1.166 1052 V CA -0.772 61.476 62.300 -0.087 0.000 0.974 1052 V CB 2.077 33.823 31.823 -0.128 0.000 1.040 1052 V HN 0.584 nan 8.190 nan 0.000 0.428 1053 A N 6.916 129.730 122.820 -0.011 0.000 2.271 1053 A HA 0.836 5.156 4.320 -0.000 0.000 0.317 1053 A C -0.700 176.905 177.584 0.035 0.000 1.245 1053 A CA -0.478 51.565 52.037 0.011 0.000 0.857 1053 A CB 0.499 19.529 19.000 0.050 0.000 1.175 1053 A HN 0.798 nan 8.150 nan 0.000 0.512 1054 I N 3.214 123.789 120.570 0.009 0.000 2.328 1054 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 1054 I C 0.576 176.786 176.117 0.154 0.000 1.012 1054 I CA -0.268 61.069 61.300 0.061 0.000 1.195 1054 I CB 1.178 39.096 38.000 -0.137 0.000 1.350 1054 I HN 0.915 nan 8.210 nan 0.000 0.464 1055 Y N 4.675 125.041 120.300 0.111 0.000 2.200 1055 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 1055 Y C 1.150 177.131 175.900 0.136 0.000 1.137 1055 Y CA 1.380 59.539 58.100 0.098 0.000 1.163 1055 Y CB 0.227 38.730 38.460 0.073 0.000 0.988 1055 Y HN 0.550 nan 8.280 nan 0.000 0.518 1056 D N 0.311 120.891 120.400 0.299 0.000 2.479 1056 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 1056 D C 0.829 177.300 176.300 0.285 0.000 1.119 1056 D CA -0.154 53.997 54.000 0.252 0.000 0.922 1056 D CB 0.388 41.422 40.800 0.391 0.000 1.014 1056 D HN 0.212 nan 8.370 nan 0.000 0.510 1057 L N 4.162 125.461 121.223 0.128 0.000 2.017 1057 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 1057 L C 1.620 178.548 176.870 0.097 0.000 1.073 1057 L CA 1.808 56.711 54.840 0.106 0.000 0.745 1057 L CB -0.936 41.154 42.059 0.052 0.000 0.894 1057 L HN 0.381 nan 8.230 nan 0.000 0.432 1058 N N -0.524 118.218 118.700 0.070 0.000 2.166 1058 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 1058 N C 1.820 177.349 175.510 0.032 0.000 1.019 1058 N CA 1.377 54.448 53.050 0.035 0.000 0.856 1058 N CB -0.476 38.031 38.487 0.034 0.000 0.993 1058 N HN 0.476 nan 8.380 nan 0.000 0.426 1059 G N -0.506 108.375 108.800 0.136 0.000 2.433 1059 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 1059 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 1059 G C 1.378 176.154 174.900 -0.207 0.000 1.186 1059 G CA 0.664 45.895 45.100 0.218 0.000 0.779 1059 G HN 0.379 nan 8.290 nan 0.000 0.543 1060 F N 1.548 121.081 119.950 -0.694 0.000 2.065 1060 F HA -0.090 4.437 4.527 0.000 0.000 0.298 1060 F C 2.467 177.852 175.800 -0.693 0.000 1.112 1060 F CA 1.438 58.604 58.000 -1.390 0.000 1.212 1060 F CB -0.423 37.995 39.000 -0.970 0.000 0.975 1060 F HN 0.051 nan 8.300 nan 0.000 0.476 1061 L N -0.209 120.745 121.223 -0.448 0.000 2.131 1061 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 1061 L C 2.760 179.420 176.870 -0.349 0.000 1.092 1061 L CA 1.240 55.832 54.840 -0.413 0.000 0.759 1061 L CB -1.616 40.336 42.059 -0.178 0.000 0.903 1061 L HN 0.385 nan 8.230 nan 0.000 0.435 1062 G N 0.091 108.738 108.800 -0.256 0.000 2.402 1062 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 1062 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 1062 G C 1.498 176.281 174.900 -0.195 0.000 1.162 1062 G CA 0.150 45.152 45.100 -0.163 0.000 0.777 1062 G HN 0.140 nan 8.290 nan 0.000 0.539 1063 I N 0.832 121.232 120.570 -0.284 0.000 2.567 1063 I HA 0.008 4.178 4.170 -0.000 0.000 0.257 1063 I C 2.517 178.457 176.117 -0.296 0.000 1.184 1063 I CA 0.752 61.914 61.300 -0.229 0.000 1.451 1063 I CB -0.542 37.327 38.000 -0.218 0.000 1.089 1063 I HN 0.171 nan 8.210 nan 0.000 0.441 1064 L N 0.242 121.194 121.223 -0.452 0.000 2.395 1064 L HA -0.088 4.252 4.340 -0.000 0.000 0.218 1064 L C 2.314 179.040 176.870 -0.239 0.000 1.130 1064 L CA 0.859 55.460 54.840 -0.398 0.000 0.826 1064 L CB -0.264 41.473 42.059 -0.537 0.000 0.941 1064 L HN 0.290 nan 8.230 nan 0.000 0.451 1065 S N -0.916 114.665 115.700 -0.199 0.000 2.562 1065 S HA 0.045 4.515 4.470 -0.000 0.000 0.221 1065 S C 1.526 176.068 174.600 -0.097 0.000 0.975 1065 S CA 0.139 58.260 58.200 -0.132 0.000 0.918 1065 S CB -0.107 63.026 63.200 -0.111 0.000 0.772 1065 S HN 0.404 nan 8.310 nan 0.000 0.531 1066 L N 1.167 122.331 121.223 -0.098 0.000 2.607 1066 L HA 0.348 4.688 4.340 -0.000 0.000 0.228 1066 L C 0.027 176.860 176.870 -0.061 0.000 1.123 1066 L CA -0.176 54.626 54.840 -0.063 0.000 0.890 1066 L CB 0.262 42.294 42.059 -0.044 0.000 1.103 1066 L HN 0.193 nan 8.230 nan 0.000 0.468 1067 V N -0.925 118.940 119.914 -0.083 0.000 3.096 1067 V HA 0.305 4.425 4.120 -0.000 0.000 0.319 1067 V C 0.261 176.314 176.094 -0.068 0.000 1.103 1067 V CA -1.090 61.166 62.300 -0.074 0.000 1.016 1067 V CB 1.711 33.480 31.823 -0.091 0.000 1.090 1067 V HN 0.119 nan 8.190 nan 0.000 0.449 1068 N N 1.235 119.902 118.700 -0.056 0.000 2.288 1068 N HA 0.061 4.801 4.740 -0.000 0.000 0.237 1068 N C 0.566 176.044 175.510 -0.054 0.000 1.311 1068 N CA -0.157 52.864 53.050 -0.048 0.000 0.909 1068 N CB 0.406 38.871 38.487 -0.037 0.000 1.167 1068 N HN 0.647 nan 8.380 nan 0.000 0.476 1069 D N -0.143 120.229 120.400 -0.046 0.000 2.149 1069 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 1069 D C 0.727 177.003 176.300 -0.040 0.000 0.972 1069 D CA 1.029 55.001 54.000 -0.047 0.000 0.835 1069 D CB -0.149 40.628 40.800 -0.039 0.000 0.966 1069 D HN 0.622 nan 8.370 nan 0.000 0.476 1070 D N 0.952 121.333 120.400 -0.032 0.000 2.323 1070 D HA 0.078 4.718 4.640 -0.000 0.000 0.239 1070 D C 0.364 176.648 176.300 -0.026 0.000 1.129 1070 D CA -0.168 53.817 54.000 -0.025 0.000 0.865 1070 D CB -0.334 40.454 40.800 -0.020 0.000 0.913 1070 D HN -0.084 nan 8.370 nan 0.000 0.517 1071 A N 0.641 123.440 122.820 -0.036 0.000 2.531 1071 A HA 0.141 4.461 4.320 -0.000 0.000 0.236 1071 A C 0.185 177.756 177.584 -0.022 0.000 1.062 1071 A CA -0.116 51.899 52.037 -0.038 0.000 0.760 1071 A CB 0.199 19.164 19.000 -0.058 0.000 0.995 1071 A HN 0.184 nan 8.150 nan 0.000 0.501 1072 E N 1.994 122.185 120.200 -0.016 0.000 2.055 1072 E HA 0.443 4.793 4.350 -0.000 0.000 0.274 1072 E C -0.681 175.930 176.600 0.019 0.000 0.949 1072 E CA -0.249 56.153 56.400 0.004 0.000 0.775 1072 E CB 0.574 30.273 29.700 -0.002 0.000 1.097 1072 E HN 0.557 nan 8.360 nan 0.000 0.404 1073 I N 3.849 124.457 120.570 0.065 0.000 2.396 1073 I HA 0.509 4.679 4.170 -0.000 0.000 0.292 1073 I C -0.638 175.575 176.117 0.159 0.000 0.999 1073 I CA 0.077 61.454 61.300 0.128 0.000 1.310 1073 I CB 0.578 38.705 38.000 0.211 0.000 1.404 1073 I HN 0.722 nan 8.210 nan 0.000 0.496 1074 S N 5.018 120.771 115.700 0.089 0.000 2.672 1074 S HA 0.303 4.773 4.470 -0.000 0.000 0.271 1074 S C -1.036 173.303 174.600 -0.435 0.000 1.171 1074 S CA -0.902 57.191 58.200 -0.177 0.000 0.817 1074 S CB 1.330 64.435 63.200 -0.158 0.000 1.150 1074 S HN 0.752 nan 8.310 nan 0.000 0.478 1075 Q N 1.341 120.585 119.800 -0.927 0.000 2.314 1075 Q HA 0.452 4.792 4.340 -0.000 0.000 0.257 1075 Q C 0.023 175.911 176.000 -0.186 0.000 0.975 1075 Q CA -0.240 55.182 55.803 -0.635 0.000 0.933 1075 Q CB 0.934 29.205 28.738 -0.779 0.000 1.195 1075 Q HN 0.734 nan 8.270 nan 0.000 0.426 1076 S N 2.944 118.652 115.700 0.012 0.000 2.569 1076 S HA -0.065 4.405 4.470 -0.000 0.000 0.274 1076 S C 0.723 175.354 174.600 0.052 0.000 1.353 1076 S CA -0.127 58.151 58.200 0.131 0.000 1.023 1076 S CB 0.646 64.016 63.200 0.282 0.000 0.876 1076 S HN 0.746 nan 8.310 nan 0.000 0.540 1077 E N 1.821 122.055 120.200 0.056 0.000 2.049 1077 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 1077 E C 1.424 178.023 176.600 -0.002 0.000 1.007 1077 E CA 1.942 58.349 56.400 0.012 0.000 0.809 1077 E CB -0.323 29.381 29.700 0.005 0.000 0.749 1077 E HN 0.862 nan 8.360 nan 0.000 0.450 1078 D N -1.012 119.380 120.400 -0.013 0.000 2.378 1078 D HA 0.017 4.657 4.640 -0.000 0.000 0.227 1078 D C 1.189 177.493 176.300 0.006 0.000 1.012 1078 D CA 0.905 54.894 54.000 -0.019 0.000 0.905 1078 D CB -0.019 40.751 40.800 -0.051 0.000 0.895 1078 D HN 0.326 nan 8.370 nan 0.000 0.532 1079 G N -0.672 108.145 108.800 0.027 0.000 2.184 1079 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.206 1079 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.206 1079 G C 0.153 175.108 174.900 0.092 0.000 0.995 1079 G CA -0.070 45.059 45.100 0.049 0.000 0.651 1079 G HN 0.470 nan 8.290 nan 0.000 0.511 1080 N N -0.466 118.300 118.700 0.110 0.000 2.531 1080 N HA 0.747 5.487 4.740 -0.000 0.000 0.301 1080 N C 0.278 175.930 175.510 0.236 0.000 1.310 1080 N CA -0.335 52.820 53.050 0.175 0.000 0.949 1080 N CB 0.646 39.240 38.487 0.179 0.000 1.111 1080 N HN 0.219 nan 8.380 nan 0.000 0.565 1081 I N 0.171 120.931 120.570 0.316 0.000 2.377 1081 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 1081 I C -0.128 176.176 176.117 0.311 0.000 0.987 1081 I CA -0.568 60.937 61.300 0.342 0.000 1.185 1081 I CB 1.439 39.675 38.000 0.394 0.000 1.341 1081 I HN 0.291 nan 8.210 nan 0.000 0.455 1082 K N 7.406 127.911 120.400 0.175 0.000 2.358 1082 K HA 0.603 4.923 4.320 -0.000 0.000 0.260 1082 K C -1.295 175.279 176.600 -0.043 0.000 0.956 1082 K CA -0.504 55.767 56.287 -0.027 0.000 0.834 1082 K CB 1.248 33.731 32.500 -0.028 0.000 1.102 1082 K HN 0.571 nan 8.250 nan 0.000 0.431 1083 I N 3.840 124.337 120.570 -0.122 0.000 2.328 1083 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 1083 I C -0.247 175.786 176.117 -0.141 0.000 1.012 1083 I CA -0.812 60.444 61.300 -0.072 0.000 1.195 1083 I CB 1.737 39.711 38.000 -0.044 0.000 1.350 1083 I HN 0.620 nan 8.210 nan 0.000 0.464 1084 A N 5.052 127.814 122.820 -0.098 0.000 2.260 1084 A HA 0.430 4.750 4.320 -0.000 0.000 0.312 1084 A C -0.485 177.062 177.584 -0.063 0.000 1.321 1084 A CA -0.431 51.551 52.037 -0.091 0.000 0.928 1084 A CB 0.476 19.437 19.000 -0.065 0.000 1.158 1084 A HN 0.648 nan 8.150 nan 0.000 0.542 1085 D N 2.066 122.429 120.400 -0.062 0.000 2.478 1085 D HA 0.605 5.245 4.640 -0.000 0.000 0.263 1085 D C 1.507 177.787 176.300 -0.033 0.000 1.153 1085 D CA 0.307 54.280 54.000 -0.046 0.000 1.038 1085 D CB 1.489 42.262 40.800 -0.045 0.000 1.120 1085 D HN 0.402 nan 8.370 nan 0.000 0.564 1086 A N 0.928 123.732 122.820 -0.026 0.000 1.873 1086 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 1086 A C 1.690 179.265 177.584 -0.015 0.000 1.193 1086 A CA 1.727 53.752 52.037 -0.019 0.000 0.629 1086 A CB -0.237 18.753 19.000 -0.017 0.000 0.826 1086 A HN 0.604 nan 8.150 nan 0.000 0.447 1087 R N -1.299 119.192 120.500 -0.014 0.000 2.572 1087 R HA 0.215 4.555 4.340 -0.000 0.000 0.370 1087 R C -0.406 175.890 176.300 -0.008 0.000 1.005 1087 R CA 0.605 56.700 56.100 -0.008 0.000 1.146 1087 R CB 0.707 31.004 30.300 -0.004 0.000 1.390 1087 R HN 0.547 nan 8.270 nan 0.000 0.553 1088 S N -0.758 114.931 115.700 -0.018 0.000 2.595 1088 S HA 0.614 5.084 4.470 -0.000 0.000 0.281 1088 S C -0.534 174.036 174.600 -0.051 0.000 1.117 1088 S CA -0.662 57.526 58.200 -0.020 0.000 0.873 1088 S CB 2.706 65.898 63.200 -0.014 0.000 1.108 1088 S HN -0.090 nan 8.310 nan 0.000 0.477 1089 T N 1.810 116.325 114.554 -0.066 0.000 2.881 1089 T HA 0.590 4.940 4.350 -0.000 0.000 0.290 1089 T C -0.754 173.810 174.700 -0.227 0.000 1.000 1089 T CA -0.423 61.565 62.100 -0.186 0.000 0.978 1089 T CB 0.723 69.459 68.868 -0.220 0.000 0.997 1089 T HN 0.649 nan 8.240 nan 0.000 0.443 1090 I N 2.792 123.186 120.570 -0.294 0.000 2.474 1090 I HA 0.529 4.699 4.170 -0.000 0.000 0.294 1090 I C -1.081 174.872 176.117 -0.273 0.000 1.005 1090 I CA -0.922 60.292 61.300 -0.144 0.000 1.113 1090 I CB 1.598 39.604 38.000 0.011 0.000 1.289 1090 I HN 0.528 nan 8.210 nan 0.000 0.436 1091 F N 4.917 124.970 119.950 0.172 0.000 2.444 1091 F HA 0.377 4.904 4.527 -0.000 0.000 0.342 1091 F C -0.412 175.550 175.800 0.270 0.000 1.121 1091 F CA -0.463 57.650 58.000 0.188 0.000 0.997 1091 F CB 1.662 40.722 39.000 0.101 0.000 1.130 1091 F HN 0.430 nan 8.300 nan 0.000 0.454 1092 W N 7.137 128.605 121.300 0.279 0.000 2.587 1092 W HA 0.365 5.025 4.660 -0.000 0.000 0.324 1092 W C -2.693 173.937 176.519 0.185 0.000 1.040 1092 W CA -2.393 55.096 57.345 0.240 0.000 1.222 1092 W CB 2.206 31.864 29.460 0.330 0.000 1.381 1092 W HN 0.299 nan 8.180 nan 0.000 0.483 1093 P HA 0.134 nan 4.420 nan 0.000 0.269 1093 P C -0.911 176.446 177.300 0.095 0.000 1.209 1093 P CA 0.211 63.265 63.100 -0.077 0.000 0.776 1093 P CB 1.236 32.797 31.700 -0.231 0.000 0.876 1094 A N 2.211 125.092 122.820 0.102 0.000 2.330 1094 A HA 0.685 5.005 4.320 -0.000 0.000 0.327 1094 A C -0.079 177.548 177.584 0.072 0.000 1.155 1094 A CA -0.649 51.461 52.037 0.122 0.000 0.803 1094 A CB 1.041 20.121 19.000 0.133 0.000 1.208 1094 A HN 0.637 nan 8.150 nan 0.000 0.477 1095 A N 1.558 124.427 122.820 0.083 0.000 2.282 1095 A HA 0.605 4.925 4.320 -0.000 0.000 0.319 1095 A C -0.164 177.446 177.584 0.043 0.000 1.121 1095 A CA -0.408 51.660 52.037 0.052 0.000 0.836 1095 A CB 0.341 19.406 19.000 0.109 0.000 1.146 1095 A HN 0.893 nan 8.150 nan 0.000 0.494 1096 D N 0.602 121.010 120.400 0.014 0.000 2.425 1096 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 1096 D C -1.714 174.611 176.300 0.042 0.000 1.147 1096 D CA -1.067 52.944 54.000 0.019 0.000 0.879 1096 D CB 0.927 41.726 40.800 -0.002 0.000 1.179 1096 D HN 0.148 nan 8.370 nan 0.000 0.456 1097 P HA -0.136 nan 4.420 nan 0.000 0.223 1097 P C 0.938 178.272 177.300 0.057 0.000 1.144 1097 P CA 0.815 63.947 63.100 0.054 0.000 0.783 1097 P CB 0.052 31.777 31.700 0.042 0.000 0.771 1098 S N -1.621 114.107 115.700 0.045 0.000 2.515 1098 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 1098 S C 1.641 176.278 174.600 0.063 0.000 0.987 1098 S CA 1.456 59.682 58.200 0.044 0.000 0.936 1098 S CB -1.661 61.556 63.200 0.027 0.000 0.766 1098 S HN 0.278 nan 8.310 nan 0.000 0.528 1099 T N -1.085 113.520 114.554 0.084 0.000 3.086 1099 T HA 0.394 4.744 4.350 -0.000 0.000 0.250 1099 T C 0.174 175.034 174.700 0.267 0.000 1.074 1099 T CA -0.306 61.883 62.100 0.149 0.000 0.988 1099 T CB -0.050 68.856 68.868 0.062 0.000 0.988 1099 T HN 0.168 nan 8.240 nan 0.000 0.530 1100 V N 2.232 122.248 119.914 0.169 0.000 2.409 1100 V HA 0.395 4.515 4.120 -0.000 0.000 0.290 1100 V C -0.102 176.034 176.094 0.071 0.000 1.017 1100 V CA -1.121 61.253 62.300 0.123 0.000 0.841 1100 V CB 1.746 33.636 31.823 0.111 0.000 1.003 1100 V HN 0.211 nan 8.190 nan 0.000 0.426 1101 V N 4.775 124.720 119.914 0.051 0.000 2.479 1101 V HA 0.613 4.733 4.120 -0.000 0.000 0.281 1101 V C 0.674 176.788 176.094 0.033 0.000 1.031 1101 V CA 0.390 62.715 62.300 0.040 0.000 1.038 1101 V CB 0.891 32.734 31.823 0.032 0.000 0.981 1101 V HN 1.008 nan 8.190 nan 0.000 0.478 1102 A N 7.820 130.665 122.820 0.041 0.000 2.469 1102 A HA 0.975 5.295 4.320 -0.000 0.000 0.299 1102 A C -2.671 174.953 177.584 0.067 0.000 1.098 1102 A CA -1.611 50.453 52.037 0.046 0.000 0.737 1102 A CB 1.827 20.855 19.000 0.046 0.000 1.312 1102 A HN 0.645 nan 8.150 nan 0.000 0.414 1103 P HA 0.254 nan 4.420 nan 0.000 0.276 1103 P C -0.549 176.820 177.300 0.115 0.000 1.244 1103 P CA -0.378 62.805 63.100 0.139 0.000 0.801 1103 P CB 0.672 32.547 31.700 0.292 0.000 1.006 1104 N N 0.021 118.766 118.700 0.075 0.000 2.294 1104 N HA 0.130 4.870 4.740 -0.000 0.000 0.248 1104 N C -0.123 175.423 175.510 0.059 0.000 1.300 1104 N CA -0.654 52.424 53.050 0.047 0.000 0.925 1104 N CB 0.224 38.717 38.487 0.011 0.000 1.188 1104 N HN 0.352 nan 8.380 nan 0.000 0.512 1105 K N 0.171 120.588 120.400 0.029 0.000 2.489 1105 K HA 0.150 4.470 4.320 -0.000 0.000 0.278 1105 K C -2.649 173.949 176.600 -0.003 0.000 1.000 1105 K CA -0.863 55.433 56.287 0.015 0.000 1.012 1105 K CB -0.533 31.956 32.500 -0.018 0.000 0.903 1105 K HN 0.234 nan 8.250 nan 0.000 0.485 1106 P HA 0.081 nan 4.420 nan 0.000 0.264 1106 P C -0.709 176.554 177.300 -0.062 0.000 1.193 1106 P CA 0.223 63.323 63.100 -0.001 0.000 0.763 1106 P CB 0.406 32.101 31.700 -0.008 0.000 0.810 1107 I N 4.802 125.324 120.570 -0.081 0.000 2.465 1107 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 1107 I C -1.934 174.137 176.117 -0.076 0.000 1.014 1107 I CA -2.480 58.766 61.300 -0.090 0.000 1.093 1107 I CB 1.657 39.588 38.000 -0.116 0.000 1.267 1107 I HN 0.213 nan 8.210 nan 0.000 0.431 1108 P HA -0.057 nan 4.420 nan 0.000 0.263 1108 P C -0.600 176.666 177.300 -0.056 0.000 1.175 1108 P CA 0.024 63.101 63.100 -0.038 0.000 0.761 1108 P CB 0.246 31.913 31.700 -0.055 0.000 0.794 1109 F N 5.082 124.924 119.950 -0.180 0.000 2.471 1109 F HA 0.217 4.744 4.527 0.000 0.000 0.353 1109 F C -1.293 174.314 175.800 -0.321 0.000 1.113 1109 F CA -1.973 55.869 58.000 -0.265 0.000 1.262 1109 F CB -0.273 38.612 39.000 -0.191 0.000 1.146 1109 F HN 0.338 nan 8.300 nan 0.000 0.578 1110 P HA 0.087 nan 4.420 nan 0.000 0.280 1110 P C -0.925 176.075 177.300 -0.501 0.000 1.278 1110 P CA -0.286 62.284 63.100 -0.885 0.000 0.787 1110 P CB 0.185 30.935 31.700 -1.583 0.000 1.163 1111 V N -3.081 116.681 119.914 -0.254 0.000 2.530 1111 V HA 0.520 4.640 4.120 -0.000 0.000 0.282 1111 V C 0.420 176.525 176.094 0.019 0.000 1.048 1111 V CA -1.054 61.206 62.300 -0.068 0.000 0.997 1111 V CB -0.316 31.505 31.823 -0.002 0.000 0.987 1111 V HN 0.713 nan 8.190 nan 0.000 0.477 1112 A N 4.135 126.982 122.820 0.044 0.000 2.511 1112 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 1112 A C 1.388 178.940 177.584 -0.053 0.000 1.069 1112 A CA 0.471 52.538 52.037 0.051 0.000 0.763 1112 A CB 0.078 19.114 19.000 0.061 0.000 1.001 1112 A HN 1.142 nan 8.150 nan 0.000 0.498 1113 S N 1.125 116.658 115.700 -0.279 0.000 2.371 1113 S HA 0.261 4.731 4.470 -0.000 0.000 0.224 1113 S C 0.915 175.264 174.600 -0.418 0.000 1.029 1113 S CA 1.201 58.956 58.200 -0.742 0.000 0.978 1113 S CB -0.126 62.082 63.200 -1.653 0.000 0.833 1113 S HN 1.369 nan 8.310 nan 0.000 0.466 1114 A N 0.485 123.161 122.820 -0.240 0.000 2.549 1114 A HA 0.714 5.034 4.320 -0.000 0.000 0.297 1114 A C -1.290 176.318 177.584 0.039 0.000 1.061 1114 A CA -0.538 51.529 52.037 0.049 0.000 0.690 1114 A CB 1.512 20.549 19.000 0.061 0.000 1.287 1114 A HN 0.067 nan 8.150 nan 0.000 0.402 1115 V N 0.645 120.641 119.914 0.136 0.000 2.656 1115 V HA 0.902 5.022 4.120 -0.000 0.000 0.307 1115 V C 0.203 176.375 176.094 0.131 0.000 1.051 1115 V CA 0.114 62.470 62.300 0.094 0.000 0.893 1115 V CB 1.793 33.666 31.823 0.082 0.000 0.999 1115 V HN 1.314 nan 8.190 nan 0.000 0.426 1116 T N 2.674 117.281 114.554 0.088 0.000 2.649 1116 T HA 0.639 4.989 4.350 -0.000 0.000 0.305 1116 T C -2.083 172.664 174.700 0.078 0.000 1.409 1116 T CA -0.166 61.998 62.100 0.107 0.000 1.021 1116 T CB 2.030 70.981 68.868 0.139 0.000 1.726 1116 T HN 0.986 nan 8.240 nan 0.000 0.475 1117 E N 0.309 120.567 120.200 0.097 0.000 2.412 1117 E HA 0.688 5.038 4.350 -0.000 0.000 0.279 1117 E C -1.617 175.066 176.600 0.139 0.000 0.984 1117 E CA -0.991 55.475 56.400 0.111 0.000 0.788 1117 E CB 2.031 31.791 29.700 0.100 0.000 1.277 1117 E HN 0.641 nan 8.360 nan 0.000 0.455 1118 I N 1.120 121.803 120.570 0.190 0.000 2.498 1118 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 1118 I C -1.190 175.044 176.117 0.195 0.000 1.032 1118 I CA -0.879 60.541 61.300 0.201 0.000 1.073 1118 I CB 1.547 39.701 38.000 0.256 0.000 1.251 1118 I HN 0.522 nan 8.210 nan 0.000 0.426 1119 K N 5.239 125.724 120.400 0.142 0.000 2.118 1119 K HA 0.483 4.803 4.320 -0.000 0.000 0.264 1119 K C 0.939 177.608 176.600 0.115 0.000 1.000 1119 K CA 0.007 56.360 56.287 0.111 0.000 0.929 1119 K CB 1.384 33.931 32.500 0.079 0.000 1.021 1119 K HN 0.707 nan 8.250 nan 0.000 0.463 1120 A N 2.499 125.373 122.820 0.090 0.000 1.903 1120 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 1120 A C 1.879 179.500 177.584 0.061 0.000 1.191 1120 A CA 2.057 54.142 52.037 0.080 0.000 0.638 1120 A CB -0.593 18.432 19.000 0.042 0.000 0.823 1120 A HN 0.929 nan 8.150 nan 0.000 0.451 1121 E N -0.046 120.184 120.200 0.051 0.000 2.204 1121 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 1121 E C 0.727 177.360 176.600 0.055 0.000 0.989 1121 E CA 1.445 57.871 56.400 0.043 0.000 0.824 1121 E CB -0.535 29.187 29.700 0.037 0.000 0.756 1121 E HN 0.600 nan 8.360 nan 0.000 0.477 1122 D N 0.961 121.406 120.400 0.075 0.000 2.162 1122 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 1122 D C 2.035 178.390 176.300 0.092 0.000 0.964 1122 D CA 0.381 54.440 54.000 0.097 0.000 0.847 1122 D CB -0.336 40.531 40.800 0.111 0.000 0.988 1122 D HN 0.136 nan 8.370 nan 0.000 0.480 1123 L N 1.046 122.319 121.223 0.083 0.000 2.083 1123 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 1123 L C 2.171 179.037 176.870 -0.006 0.000 1.083 1123 L CA 1.749 56.613 54.840 0.040 0.000 0.752 1123 L CB -0.676 41.412 42.059 0.048 0.000 0.899 1123 L HN -0.015 nan 8.230 nan 0.000 0.433 1124 Q N -0.979 118.825 119.800 0.007 0.000 2.050 1124 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 1124 Q C 2.353 178.334 176.000 -0.030 0.000 0.980 1124 Q CA 2.149 57.943 55.803 -0.016 0.000 0.840 1124 Q CB -0.263 28.474 28.738 -0.002 0.000 0.898 1124 Q HN 0.715 nan 8.270 nan 0.000 0.424 1125 Q N -0.205 119.593 119.800 -0.003 0.000 2.084 1125 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 1125 Q C 2.161 178.092 176.000 -0.116 0.000 0.978 1125 Q CA 1.224 57.016 55.803 -0.018 0.000 0.844 1125 Q CB -0.094 28.683 28.738 0.066 0.000 0.898 1125 Q HN 0.409 nan 8.270 nan 0.000 0.426 1126 L N 0.603 121.782 121.223 -0.073 0.000 1.989 1126 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 1126 L C 1.992 178.730 176.870 -0.219 0.000 1.071 1126 L CA 1.642 56.376 54.840 -0.176 0.000 0.749 1126 L CB -0.965 41.102 42.059 0.013 0.000 0.890 1126 L HN 0.265 nan 8.230 nan 0.000 0.431 1127 L N -0.344 120.795 121.223 -0.139 0.000 2.046 1127 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 1127 L C 2.784 179.575 176.870 -0.131 0.000 1.077 1127 L CA 1.492 56.253 54.840 -0.132 0.000 0.747 1127 L CB -1.130 40.860 42.059 -0.116 0.000 0.896 1127 L HN 0.263 nan 8.230 nan 0.000 0.432 1128 R N -0.867 119.560 120.500 -0.123 0.000 2.075 1128 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 1128 R C 2.266 178.486 176.300 -0.133 0.000 1.126 1128 R CA 1.095 57.132 56.100 -0.105 0.000 0.963 1128 R CB -0.940 29.313 30.300 -0.079 0.000 0.858 1128 R HN 0.241 nan 8.270 nan 0.000 0.435 1129 V N 1.119 120.908 119.914 -0.208 0.000 2.427 1129 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 1129 V C 2.244 178.204 176.094 -0.224 0.000 1.051 1129 V CA 1.729 63.874 62.300 -0.257 0.000 1.048 1129 V CB -0.390 31.131 31.823 -0.503 0.000 0.666 1129 V HN 0.293 nan 8.190 nan 0.000 0.456 1130 S N -0.293 115.270 115.700 -0.227 0.000 2.402 1130 S HA -0.244 4.226 4.470 -0.000 0.000 0.233 1130 S C 1.986 176.532 174.600 -0.091 0.000 1.030 1130 S CA 1.629 59.741 58.200 -0.147 0.000 1.003 1130 S CB -0.289 62.839 63.200 -0.120 0.000 0.813 1130 S HN 0.600 nan 8.310 nan 0.000 0.477 1131 R N 0.744 121.191 120.500 -0.087 0.000 2.075 1131 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 1131 R C 2.790 179.061 176.300 -0.049 0.000 1.140 1131 R CA 1.385 57.450 56.100 -0.059 0.000 0.928 1131 R CB -1.086 29.180 30.300 -0.056 0.000 0.834 1131 R HN 0.448 nan 8.270 nan 0.000 0.429 1132 G N 0.973 109.740 108.800 -0.055 0.000 2.448 1132 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 1132 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 1132 G C 1.301 176.180 174.900 -0.035 0.000 1.127 1132 G CA 0.454 45.529 45.100 -0.041 0.000 0.766 1132 G HN 0.127 nan 8.290 nan 0.000 0.552 1133 L N -0.421 120.773 121.223 -0.048 0.000 2.592 1133 L HA 0.156 4.496 4.340 -0.000 0.000 0.227 1133 L C 0.976 177.836 176.870 -0.017 0.000 1.127 1133 L CA 0.057 54.879 54.840 -0.031 0.000 0.884 1133 L CB -0.067 41.967 42.059 -0.042 0.000 1.065 1133 L HN 0.314 nan 8.230 nan 0.000 0.457 1134 Q N -0.195 119.593 119.800 -0.019 0.000 2.481 1134 Q HA -0.210 4.130 4.340 -0.000 0.000 0.272 1134 Q C -0.104 175.902 176.000 0.009 0.000 1.157 1134 Q CA 0.652 56.453 55.803 -0.004 0.000 0.935 1134 Q CB -1.826 26.916 28.738 0.006 0.000 1.338 1134 Q HN 0.465 nan 8.270 nan 0.000 0.494 1135 I N 1.720 122.287 120.570 -0.005 0.000 2.396 1135 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 1135 I C 0.932 177.063 176.117 0.024 0.000 1.056 1135 I CA 0.214 61.525 61.300 0.019 0.000 1.365 1135 I CB 0.633 38.624 38.000 -0.015 0.000 1.407 1135 I HN 0.223 nan 8.210 nan 0.000 0.509 1136 D N 2.144 122.579 120.400 0.057 0.000 2.469 1136 D HA 0.058 4.698 4.640 -0.000 0.000 0.213 1136 D C 0.448 176.790 176.300 0.070 0.000 1.135 1136 D CA -0.057 53.971 54.000 0.047 0.000 0.834 1136 D CB 0.568 41.392 40.800 0.039 0.000 1.009 1136 D HN 0.408 nan 8.370 nan 0.000 0.507 1137 T N -0.254 114.373 114.554 0.120 0.000 3.041 1137 T HA 0.564 4.914 4.350 -0.000 0.000 0.321 1137 T C -1.114 173.741 174.700 0.258 0.000 1.184 1137 T CA -0.949 61.244 62.100 0.155 0.000 1.050 1137 T CB 0.968 69.913 68.868 0.129 0.000 1.159 1137 T HN 0.242 nan 8.240 nan 0.000 0.469 1138 I N 1.383 122.096 120.570 0.237 0.000 2.957 1138 I HA 1.004 5.174 4.170 -0.000 0.000 0.310 1138 I C -0.680 175.622 176.117 0.308 0.000 1.063 1138 I CA -1.584 59.892 61.300 0.294 0.000 1.033 1138 I CB 2.099 40.227 38.000 0.213 0.000 1.230 1138 I HN 0.849 nan 8.210 nan 0.000 0.447 1139 A N 5.138 128.171 122.820 0.356 0.000 2.359 1139 A HA 0.752 5.072 4.320 -0.000 0.000 0.303 1139 A C -0.814 176.929 177.584 0.265 0.000 1.066 1139 A CA -0.570 51.649 52.037 0.303 0.000 0.730 1139 A CB 1.016 20.203 19.000 0.312 0.000 1.211 1139 A HN 0.685 nan 8.150 nan 0.000 0.439 1140 I N 2.534 123.277 120.570 0.289 0.000 2.304 1140 I HA 0.478 4.647 4.170 -0.000 0.000 0.291 1140 I C 0.570 176.886 176.117 0.332 0.000 1.018 1140 I CA -0.038 61.449 61.300 0.311 0.000 1.260 1140 I CB 1.322 39.543 38.000 0.367 0.000 1.390 1140 I HN 0.694 nan 8.210 nan 0.000 0.475 1141 T N 4.960 119.606 114.554 0.155 0.000 2.618 1141 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 1141 T C -1.225 173.303 174.700 -0.286 0.000 1.027 1141 T CA -0.354 61.663 62.100 -0.139 0.000 1.063 1141 T CB 1.880 70.667 68.868 -0.135 0.000 1.440 1141 T HN 0.172 nan 8.240 nan 0.000 0.505 1142 V N 2.082 121.719 119.914 -0.463 0.000 2.540 1142 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 1142 V C -0.673 175.309 176.094 -0.187 0.000 1.035 1142 V CA -0.648 61.445 62.300 -0.346 0.000 0.873 1142 V CB 1.623 33.143 31.823 -0.504 0.000 0.992 1142 V HN 0.707 nan 8.190 nan 0.000 0.428 1143 K N 3.030 123.372 120.400 -0.097 0.000 2.541 1143 K HA 0.464 4.784 4.320 -0.000 0.000 0.250 1143 K C -0.259 176.322 176.600 -0.030 0.000 0.950 1143 K CA -0.630 55.620 56.287 -0.062 0.000 0.805 1143 K CB 1.795 34.265 32.500 -0.050 0.000 1.166 1143 K HN 0.767 nan 8.250 nan 0.000 0.430 1144 E N 0.945 121.130 120.200 -0.025 0.000 2.476 1144 E HA -0.253 4.097 4.350 -0.000 0.000 0.251 1144 E C 0.297 176.905 176.600 0.013 0.000 1.130 1144 E CA 0.667 57.063 56.400 -0.007 0.000 0.736 1144 E CB -1.247 28.448 29.700 -0.008 0.000 1.298 1144 E HN 1.161 nan 8.360 nan 0.000 0.400 1145 G N 0.273 109.090 108.800 0.028 0.000 2.176 1145 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.252 1145 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.252 1145 G C -0.083 174.881 174.900 0.108 0.000 1.024 1145 G CA 0.955 46.102 45.100 0.078 0.000 0.755 1145 G HN 0.247 nan 8.290 nan 0.000 0.507 1146 K N -0.370 120.079 120.400 0.082 0.000 2.501 1146 K HA 0.501 4.820 4.320 -0.000 0.000 0.252 1146 K C 0.212 176.856 176.600 0.073 0.000 0.934 1146 K CA -1.198 55.146 56.287 0.095 0.000 0.797 1146 K CB 1.707 34.240 32.500 0.056 0.000 1.270 1146 K HN 0.026 nan 8.250 nan 0.000 0.431 1147 I N 3.595 124.238 120.570 0.122 0.000 2.618 1147 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 1147 I C 0.431 176.596 176.117 0.079 0.000 1.146 1147 I CA 0.068 61.433 61.300 0.109 0.000 1.425 1147 I CB 0.460 38.573 38.000 0.187 0.000 1.383 1147 I HN 0.400 nan 8.210 nan 0.000 0.562 1148 V N 6.077 126.027 119.914 0.060 0.000 3.114 1148 V HA 0.638 4.758 4.120 -0.000 0.000 0.308 1148 V C -0.763 175.371 176.094 0.066 0.000 1.168 1148 V CA -0.852 61.470 62.300 0.037 0.000 1.015 1148 V CB 2.639 34.454 31.823 -0.013 0.000 1.050 1148 V HN 0.479 nan 8.190 nan 0.000 0.433 1149 I N 3.665 124.265 120.570 0.050 0.000 2.389 1149 I HA 0.513 4.683 4.170 -0.000 0.000 0.288 1149 I C -0.602 175.530 176.117 0.026 0.000 0.999 1149 I CA -0.479 60.879 61.300 0.096 0.000 1.129 1149 I CB 1.662 39.751 38.000 0.149 0.000 1.288 1149 I HN 0.678 nan 8.210 nan 0.000 0.444 1150 N N 4.443 123.173 118.700 0.049 0.000 2.405 1150 N HA 0.533 5.273 4.740 -0.000 0.000 0.299 1150 N C -0.221 175.200 175.510 -0.148 0.000 1.075 1150 N CA -0.366 52.613 53.050 -0.120 0.000 0.884 1150 N CB 2.406 40.806 38.487 -0.145 0.000 1.194 1150 N HN 0.733 nan 8.380 nan 0.000 0.491 1151 G N 0.747 109.369 108.800 -0.296 0.000 2.415 1151 G HA2 0.698 4.658 3.960 -0.000 0.000 0.327 1151 G HA3 0.698 4.658 3.960 -0.000 0.000 0.327 1151 G C -1.186 173.426 174.900 -0.479 0.000 1.182 1151 G CA -0.296 44.710 45.100 -0.156 0.000 0.924 1151 G HN 0.330 nan 8.290 nan 0.000 0.470 1152 F N 0.052 120.047 119.950 0.075 0.000 2.620 1152 F HA 0.465 4.992 4.527 -0.000 0.000 0.320 1152 F C 0.011 175.833 175.800 0.037 0.000 1.069 1152 F CA -1.417 56.614 58.000 0.052 0.000 0.953 1152 F CB 2.421 41.446 39.000 0.043 0.000 1.322 1152 F HN 0.372 nan 8.300 nan 0.000 0.479 1153 N N 1.463 120.302 118.700 0.232 0.000 2.936 1153 N HA 0.150 4.890 4.740 -0.000 0.000 0.243 1153 N C 0.611 176.194 175.510 0.121 0.000 1.149 1153 N CA -0.164 52.965 53.050 0.131 0.000 0.914 1153 N CB 0.672 39.209 38.487 0.084 0.000 1.179 1153 N HN 0.678 nan 8.380 nan 0.000 0.502 1154 K N 1.477 121.943 120.400 0.110 0.000 2.044 1154 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 1154 K C 1.534 178.158 176.600 0.040 0.000 1.049 1154 K CA 2.055 58.378 56.287 0.061 0.000 0.927 1154 K CB -0.103 32.421 32.500 0.041 0.000 0.713 1154 K HN 0.423 nan 8.250 nan 0.000 0.443 1155 V N -0.113 119.824 119.914 0.039 0.000 2.636 1155 V HA -0.229 3.891 4.120 -0.000 0.000 0.258 1155 V C 1.089 177.199 176.094 0.027 0.000 1.092 1155 V CA 2.232 64.548 62.300 0.028 0.000 1.110 1155 V CB -0.762 31.076 31.823 0.025 0.000 0.685 1155 V HN 0.575 nan 8.190 nan 0.000 0.481 1156 E N -0.480 119.742 120.200 0.036 0.000 2.945 1156 E HA 0.248 4.598 4.350 -0.000 0.000 0.196 1156 E C -0.440 176.186 176.600 0.044 0.000 0.965 1156 E CA -0.044 56.376 56.400 0.034 0.000 1.270 1156 E CB 0.197 29.916 29.700 0.031 0.000 1.045 1156 E HN 0.539 nan 8.360 nan 0.000 0.474 1157 D N 0.876 121.306 120.400 0.052 0.000 2.408 1157 D HA 0.211 4.851 4.640 -0.000 0.000 0.261 1157 D C 0.287 176.594 176.300 0.011 0.000 1.190 1157 D CA -0.458 53.569 54.000 0.045 0.000 0.910 1157 D CB 1.586 42.447 40.800 0.103 0.000 1.097 1157 D HN -0.135 nan 8.370 nan 0.000 0.522 1158 S N 1.685 117.381 115.700 -0.006 0.000 2.399 1158 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 1158 S C 1.769 176.329 174.600 -0.066 0.000 1.022 1158 S CA 1.173 59.356 58.200 -0.028 0.000 0.983 1158 S CB 0.171 63.361 63.200 -0.017 0.000 0.803 1158 S HN 0.633 nan 8.310 nan 0.000 0.480 1159 A N 0.549 123.329 122.820 -0.067 0.000 2.251 1159 A HA 0.422 4.742 4.320 -0.000 0.000 0.209 1159 A C 0.638 178.106 177.584 -0.193 0.000 1.187 1159 A CA -0.107 51.871 52.037 -0.097 0.000 0.823 1159 A CB -0.534 18.431 19.000 -0.058 0.000 0.846 1159 A HN 0.459 nan 8.150 nan 0.000 0.486 1160 L N -0.522 120.547 121.223 -0.257 0.000 3.671 1160 L HA -0.197 4.143 4.340 -0.000 0.000 0.609 1160 L C 0.972 177.647 176.870 -0.326 0.000 1.251 1160 L CA 0.481 54.923 54.840 -0.662 0.000 0.934 1160 L CB -2.510 38.851 42.059 -1.163 0.000 1.496 1160 L HN 0.429 nan 8.230 nan 0.000 0.854 1161 T N -1.212 113.371 114.554 0.048 0.000 2.978 1161 T HA 0.174 4.524 4.350 -0.000 0.000 0.248 1161 T C 0.969 175.819 174.700 0.252 0.000 1.018 1161 T CA 0.327 62.511 62.100 0.140 0.000 1.026 1161 T CB 0.288 69.191 68.868 0.058 0.000 1.032 1161 T HN 0.394 nan 8.240 nan 0.000 0.485 1162 R N 2.403 123.079 120.500 0.294 0.000 2.369 1162 R HA 0.398 4.738 4.340 -0.000 0.000 0.310 1162 R C -0.324 176.053 176.300 0.129 0.000 1.141 1162 R CA -0.332 55.881 56.100 0.189 0.000 1.116 1162 R CB 1.236 31.610 30.300 0.123 0.000 1.135 1162 R HN 0.276 nan 8.270 nan 0.000 0.529 1163 V N 1.713 121.609 119.914 -0.030 0.000 2.529 1163 V HA 0.063 4.183 4.120 -0.000 0.000 0.292 1163 V C 0.525 176.501 176.094 -0.196 0.000 1.028 1163 V CA 0.261 62.337 62.300 -0.374 0.000 1.074 1163 V CB 0.895 32.524 31.823 -0.324 0.000 0.958 1163 V HN 0.734 nan 8.190 nan 0.000 0.481 1164 K N 4.245 124.526 120.400 -0.199 0.000 2.348 1164 K HA 0.231 4.551 4.320 -0.000 0.000 0.194 1164 K C -0.453 176.161 176.600 0.023 0.000 1.052 1164 K CA 0.261 56.515 56.287 -0.054 0.000 1.004 1164 K CB 0.594 33.083 32.500 -0.017 0.000 0.873 1164 K HN 0.786 nan 8.250 nan 0.000 0.523 1165 Y N 0.216 120.408 120.300 -0.180 0.000 2.513 1165 Y HA 0.405 4.955 4.550 -0.000 0.000 0.340 1165 Y C -1.619 174.196 175.900 -0.141 0.000 1.055 1165 Y CA -0.996 57.028 58.100 -0.127 0.000 1.020 1165 Y CB 2.428 40.830 38.460 -0.097 0.000 1.301 1165 Y HN -0.225 nan 8.280 nan 0.000 0.453 1166 S N 5.921 121.132 115.700 -0.816 0.000 2.575 1166 S HA 0.732 5.202 4.470 -0.000 0.000 0.278 1166 S C -2.442 171.734 174.600 -0.706 0.000 1.139 1166 S CA -0.570 57.263 58.200 -0.612 0.000 0.954 1166 S CB 1.027 64.041 63.200 -0.308 0.000 1.054 1166 S HN 0.760 nan 8.310 nan 0.000 0.483 1167 L N 4.411 125.359 121.223 -0.458 0.000 2.381 1167 L HA 0.678 5.018 4.340 -0.000 0.000 0.274 1167 L C -0.466 176.352 176.870 -0.085 0.000 0.988 1167 L CA 0.148 54.837 54.840 -0.251 0.000 0.824 1167 L CB 2.014 44.001 42.059 -0.119 0.000 1.263 1167 L HN 0.615 nan 8.230 nan 0.000 0.410 1168 T N 6.307 120.831 114.554 -0.050 0.000 2.771 1168 T HA 0.388 4.738 4.350 -0.000 0.000 0.291 1168 T C 1.159 175.881 174.700 0.037 0.000 0.954 1168 T CA -0.145 61.953 62.100 -0.003 0.000 1.045 1168 T CB 0.735 69.600 68.868 -0.005 0.000 0.917 1168 T HN 0.587 nan 8.240 nan 0.000 0.484 1169 L N 2.438 123.699 121.223 0.064 0.000 2.640 1169 L HA 0.416 4.756 4.340 -0.000 0.000 0.230 1169 L C 1.302 178.227 176.870 0.092 0.000 1.123 1169 L CA -0.212 54.681 54.840 0.088 0.000 0.900 1169 L CB -0.204 41.923 42.059 0.113 0.000 1.146 1169 L HN 0.949 nan 8.230 nan 0.000 0.484 1170 G N 0.450 109.300 108.800 0.084 0.000 2.343 1170 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.465 1170 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.465 1170 G C -1.816 173.149 174.900 0.108 0.000 1.282 1170 G CA -0.705 44.447 45.100 0.088 0.000 0.996 1170 G HN 0.117 nan 8.290 nan 0.000 0.521 1171 D N -0.902 119.562 120.400 0.106 0.000 2.264 1171 D HA 0.506 5.146 4.640 -0.000 0.000 0.249 1171 D C -0.461 175.955 176.300 0.194 0.000 1.070 1171 D CA -0.465 53.610 54.000 0.126 0.000 0.912 1171 D CB 1.366 42.213 40.800 0.079 0.000 1.193 1171 D HN 0.562 nan 8.370 nan 0.000 0.427 1172 Y N 0.714 121.060 120.300 0.076 0.000 2.353 1172 Y HA 0.235 4.785 4.550 -0.000 0.000 0.340 1172 Y C 0.041 175.993 175.900 0.086 0.000 0.972 1172 Y CA -0.836 57.329 58.100 0.109 0.000 1.157 1172 Y CB 1.227 39.763 38.460 0.126 0.000 1.157 1172 Y HN 0.320 nan 8.280 nan 0.000 0.495 1173 D N 3.716 123.914 120.400 -0.336 0.000 2.349 1173 D HA 0.097 4.737 4.640 -0.000 0.000 0.214 1173 D C 1.278 177.280 176.300 -0.497 0.000 1.063 1173 D CA 0.358 54.173 54.000 -0.308 0.000 0.847 1173 D CB 0.461 41.182 40.800 -0.131 0.000 0.933 1173 D HN 0.872 nan 8.370 nan 0.000 0.513 1174 G N 1.172 109.268 108.800 -1.173 0.000 2.679 1174 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.158 1174 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.158 1174 G C 0.748 175.461 174.900 -0.312 0.000 1.702 1174 G CA 0.361 45.001 45.100 -0.768 0.000 1.041 1174 G HN 0.240 nan 8.290 nan 0.000 0.507 1175 E N -2.305 117.912 120.200 0.029 0.000 2.318 1175 E HA -0.001 4.349 4.350 -0.000 0.000 0.180 1175 E C -0.018 176.673 176.600 0.152 0.000 0.931 1175 E CA -0.356 56.102 56.400 0.096 0.000 1.396 1175 E CB -0.081 29.643 29.700 0.040 0.000 2.229 1175 E HN 0.385 nan 8.360 nan 0.000 0.855 1176 N N 0.388 119.242 118.700 0.257 0.000 2.364 1176 N HA 0.224 4.964 4.740 -0.000 0.000 0.264 1176 N C -0.412 175.042 175.510 -0.092 0.000 1.263 1176 N CA 0.468 53.517 53.050 -0.003 0.000 0.959 1176 N CB 1.253 39.559 38.487 -0.302 0.000 1.204 1176 N HN -0.082 nan 8.380 nan 0.000 0.550 1177 T N 0.511 114.892 114.554 -0.289 0.000 2.900 1177 T HA 0.685 5.035 4.350 -0.000 0.000 0.295 1177 T C -0.999 173.496 174.700 -0.342 0.000 1.044 1177 T CA -0.488 61.385 62.100 -0.380 0.000 0.995 1177 T CB 0.838 69.549 68.868 -0.263 0.000 1.072 1177 T HN 0.480 nan 8.240 nan 0.000 0.473 1178 F N 0.033 119.745 119.950 -0.397 0.000 2.769 1178 F HA 0.732 5.259 4.527 -0.000 0.000 0.313 1178 F C -1.384 174.107 175.800 -0.514 0.000 1.146 1178 F CA -1.223 56.443 58.000 -0.557 0.000 0.934 1178 F CB 1.313 39.764 39.000 -0.917 0.000 1.283 1178 F HN 0.456 nan 8.300 nan 0.000 0.443 1179 N N 1.313 119.834 118.700 -0.297 0.000 2.751 1179 N HA 0.400 5.140 4.740 -0.000 0.000 0.238 1179 N C -2.138 173.332 175.510 -0.067 0.000 1.351 1179 N CA -0.337 52.635 53.050 -0.129 0.000 0.751 1179 N CB 0.463 38.897 38.487 -0.089 0.000 1.342 1179 N HN 0.635 nan 8.380 nan 0.000 0.540 1180 F N 2.467 122.562 119.950 0.242 0.000 2.445 1180 F HA 0.406 4.933 4.527 -0.000 0.000 0.359 1180 F C 0.758 176.631 175.800 0.123 0.000 1.101 1180 F CA -0.587 57.492 58.000 0.133 0.000 1.177 1180 F CB 0.660 39.702 39.000 0.069 0.000 1.110 1180 F HN 0.130 nan 8.300 nan 0.000 0.522 1181 I N 5.376 126.104 120.570 0.263 0.000 2.331 1181 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 1181 I C -0.170 176.048 176.117 0.168 0.000 0.998 1181 I CA -0.335 61.073 61.300 0.180 0.000 1.267 1181 I CB 1.060 39.120 38.000 0.099 0.000 1.386 1181 I HN 0.476 nan 8.210 nan 0.000 0.476 1182 I N 5.523 126.192 120.570 0.166 0.000 2.603 1182 I HA 0.278 4.448 4.170 -0.000 0.000 0.300 1182 I C -0.047 176.135 176.117 0.108 0.000 1.017 1182 I CA -0.823 60.561 61.300 0.139 0.000 1.098 1182 I CB 1.935 40.033 38.000 0.162 0.000 1.279 1182 I HN 0.522 nan 8.210 nan 0.000 0.437 1183 N N 5.801 124.548 118.700 0.079 0.000 2.406 1183 N HA 0.134 4.874 4.740 -0.000 0.000 0.251 1183 N C 0.756 176.287 175.510 0.035 0.000 1.069 1183 N CA -0.218 52.866 53.050 0.056 0.000 0.947 1183 N CB 1.048 39.560 38.487 0.042 0.000 1.111 1183 N HN 0.586 nan 8.380 nan 0.000 0.497 1184 M N 2.651 122.271 119.600 0.033 0.000 2.192 1184 M HA -0.172 4.308 4.480 -0.000 0.000 0.259 1184 M C 1.610 177.892 176.300 -0.031 0.000 1.071 1184 M CA 1.099 56.398 55.300 -0.001 0.000 1.082 1184 M CB -1.311 31.289 32.600 0.000 0.000 1.373 1184 M HN 0.689 nan 8.290 nan 0.000 0.408 1185 A N -0.071 122.739 122.820 -0.017 0.000 2.172 1185 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 1185 A C 1.701 179.261 177.584 -0.040 0.000 1.154 1185 A CA 1.246 53.266 52.037 -0.028 0.000 0.701 1185 A CB -0.580 18.413 19.000 -0.013 0.000 0.789 1185 A HN 0.527 nan 8.150 nan 0.000 0.465 1186 N N -0.490 118.188 118.700 -0.037 0.000 2.373 1186 N HA 0.070 4.810 4.740 -0.000 0.000 0.181 1186 N C 0.108 175.553 175.510 -0.108 0.000 1.082 1186 N CA 0.297 53.321 53.050 -0.044 0.000 0.885 1186 N CB 0.009 38.494 38.487 -0.003 0.000 0.977 1186 N HN 0.337 nan 8.380 nan 0.000 0.462 1187 M N 1.374 120.882 119.600 -0.153 0.000 3.011 1187 M HA 0.111 4.591 4.480 -0.000 0.000 0.292 1187 M C 0.489 176.598 176.300 -0.317 0.000 1.440 1187 M CA 0.348 55.471 55.300 -0.296 0.000 1.552 1187 M CB 0.100 32.534 32.600 -0.278 0.000 1.187 1187 M HN -0.214 nan 8.290 nan 0.000 0.520 1188 K N 2.127 122.318 120.400 -0.348 0.000 2.414 1188 K HA 0.239 4.559 4.320 -0.000 0.000 0.204 1188 K C 0.501 176.787 176.600 -0.523 0.000 1.026 1188 K CA 0.006 56.111 56.287 -0.303 0.000 1.108 1188 K CB 0.340 32.751 32.500 -0.148 0.000 0.855 1188 K HN 0.603 nan 8.250 nan 0.000 0.517 1189 M N 1.275 120.299 119.600 -0.960 0.000 2.249 1189 M HA 0.044 4.524 4.480 -0.000 0.000 0.340 1189 M C 0.337 176.268 176.300 -0.615 0.000 1.166 1189 M CA 0.339 54.706 55.300 -1.555 0.000 1.115 1189 M CB -0.421 31.126 32.600 -1.754 0.000 1.606 1189 M HN 0.073 nan 8.290 nan 0.000 0.448 1190 Q N 3.040 122.703 119.800 -0.228 0.000 2.421 1190 Q HA 0.458 4.798 4.340 -0.000 0.000 0.255 1190 Q C -2.448 173.591 176.000 0.066 0.000 1.013 1190 Q CA -1.513 54.299 55.803 0.015 0.000 0.895 1190 Q CB -0.389 28.435 28.738 0.144 0.000 1.271 1190 Q HN 0.495 nan 8.270 nan 0.000 0.460 1191 P HA 0.173 nan 4.420 nan 0.000 0.266 1191 P C -0.064 177.293 177.300 0.095 0.000 1.195 1191 P CA 0.631 63.764 63.100 0.056 0.000 0.768 1191 P CB 0.635 32.337 31.700 0.003 0.000 0.838 1192 G N 1.557 110.435 108.800 0.129 0.000 2.369 1192 G HA2 0.004 3.964 3.960 -0.000 0.000 0.293 1192 G HA3 0.004 3.964 3.960 -0.000 0.000 0.293 1192 G C -1.453 173.445 174.900 -0.005 0.000 1.301 1192 G CA -0.837 44.266 45.100 0.006 0.000 0.913 1192 G HN 0.505 nan 8.290 nan 0.000 0.540 1193 N N -0.461 118.141 118.700 -0.162 0.000 2.530 1193 N HA 0.627 5.367 4.740 -0.000 0.000 0.277 1193 N C -1.328 173.972 175.510 -0.351 0.000 1.168 1193 N CA 0.389 53.383 53.050 -0.093 0.000 0.979 1193 N CB 1.151 39.606 38.487 -0.053 0.000 1.141 1193 N HN 0.437 nan 8.380 nan 0.000 0.459 1194 Y N -0.394 119.981 120.300 0.126 0.000 2.479 1194 Y HA 0.235 4.785 4.550 -0.000 0.000 0.338 1194 Y C 0.181 176.151 175.900 0.116 0.000 1.055 1194 Y CA -0.909 57.288 58.100 0.163 0.000 1.023 1194 Y CB 1.806 40.446 38.460 0.301 0.000 1.287 1194 Y HN 0.281 nan 8.280 nan 0.000 0.447 1195 K N 2.886 123.417 120.400 0.219 0.000 2.234 1195 K HA 0.505 4.825 4.320 -0.000 0.000 0.282 1195 K C -1.503 175.129 176.600 0.052 0.000 1.039 1195 K CA -0.640 55.713 56.287 0.110 0.000 0.928 1195 K CB 0.741 33.283 32.500 0.070 0.000 1.039 1195 K HN 0.629 nan 8.250 nan 0.000 0.470 1196 L N 6.632 127.836 121.223 -0.032 0.000 2.276 1196 L HA 0.343 4.683 4.340 -0.000 0.000 0.286 1196 L C -1.397 175.368 176.870 -0.175 0.000 1.024 1196 L CA -0.295 54.404 54.840 -0.234 0.000 0.826 1196 L CB 0.925 42.845 42.059 -0.231 0.000 1.211 1196 L HN 0.587 nan 8.230 nan 0.000 0.422 1197 L N 6.655 127.744 121.223 -0.223 0.000 2.277 1197 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 1197 L C -0.617 176.202 176.870 -0.085 0.000 1.028 1197 L CA -0.382 54.402 54.840 -0.092 0.000 0.835 1197 L CB 0.977 43.020 42.059 -0.026 0.000 1.215 1197 L HN 0.470 nan 8.230 nan 0.000 0.425 1198 L N 2.811 123.951 121.223 -0.138 0.000 2.276 1198 L HA 0.415 4.755 4.340 -0.000 0.000 0.286 1198 L C -0.911 175.781 176.870 -0.295 0.000 1.061 1198 L CA -0.215 54.435 54.840 -0.317 0.000 0.807 1198 L CB 1.271 43.029 42.059 -0.502 0.000 1.177 1198 L HN 0.604 nan 8.230 nan 0.000 0.429 1199 W N 4.403 125.392 121.300 -0.517 0.000 2.839 1199 W HA 0.699 5.359 4.660 -0.000 0.000 0.334 1199 W C -1.268 174.907 176.519 -0.573 0.000 1.064 1199 W CA -0.505 56.526 57.345 -0.524 0.000 1.236 1199 W CB 1.681 30.854 29.460 -0.479 0.000 1.405 1199 W HN 0.520 nan 8.180 nan 0.000 0.478 1200 A N 4.926 126.862 122.820 -1.473 0.000 2.520 1200 A HA 0.811 5.131 4.320 -0.000 0.000 0.298 1200 A C -1.648 175.243 177.584 -1.155 0.000 1.051 1200 A CA -0.951 50.282 52.037 -1.340 0.000 0.690 1200 A CB 1.927 20.333 19.000 -0.989 0.000 1.281 1200 A HN 0.514 nan 8.150 nan 0.000 0.402 1201 K N 1.344 121.240 120.400 -0.840 0.000 2.695 1201 K HA 0.501 4.821 4.320 -0.000 0.000 0.255 1201 K C 0.514 177.068 176.600 -0.076 0.000 1.016 1201 K CA 0.249 56.340 56.287 -0.327 0.000 0.928 1201 K CB 1.660 33.957 32.500 -0.339 0.000 1.235 1201 K HN 2.037 nan 8.250 nan 0.000 0.467 1202 G N 3.396 112.251 108.800 0.092 0.000 2.574 1202 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.301 1202 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.301 1202 G C 0.422 175.397 174.900 0.125 0.000 1.166 1202 G CA 0.691 45.828 45.100 0.062 0.000 0.971 1202 G HN 0.564 nan 8.290 nan 0.000 0.542 1203 K N 1.810 122.250 120.400 0.066 0.000 2.372 1203 K HA 0.286 4.606 4.320 -0.000 0.000 0.200 1203 K C 0.711 177.336 176.600 0.042 0.000 1.022 1203 K CA 0.371 56.703 56.287 0.074 0.000 1.125 1203 K CB 0.327 32.859 32.500 0.053 0.000 0.855 1203 K HN 0.705 nan 8.250 nan 0.000 0.524 1204 Q N 0.465 120.254 119.800 -0.019 0.000 2.230 1204 Q HA 0.620 4.960 4.340 -0.000 0.000 0.253 1204 Q C -0.436 175.431 176.000 -0.220 0.000 0.919 1204 Q CA -0.593 55.185 55.803 -0.041 0.000 0.908 1204 Q CB 1.922 30.670 28.738 0.017 0.000 1.245 1204 Q HN 0.405 nan 8.270 nan 0.000 0.437 1205 G N 0.027 108.796 108.800 -0.053 0.000 2.732 1205 G HA2 0.703 4.663 3.960 -0.000 0.000 0.296 1205 G HA3 0.703 4.663 3.960 -0.000 0.000 0.296 1205 G C -1.929 173.033 174.900 0.104 0.000 1.448 1205 G CA -0.256 44.770 45.100 -0.124 0.000 0.911 1205 G HN 0.657 nan 8.290 nan 0.000 0.528 1206 A N -0.411 122.491 122.820 0.136 0.000 2.604 1206 A HA 0.994 5.314 4.320 -0.000 0.000 0.295 1206 A C -0.657 177.018 177.584 0.151 0.000 1.067 1206 A CA 0.031 52.198 52.037 0.217 0.000 0.683 1206 A CB 1.419 20.654 19.000 0.392 0.000 1.281 1206 A HN 2.426 nan 8.150 nan 0.000 0.407 1207 A N 1.257 124.127 122.820 0.083 0.000 2.318 1207 A HA 0.746 5.066 4.320 -0.000 0.000 0.317 1207 A C -0.390 177.111 177.584 -0.139 0.000 1.159 1207 A CA -0.504 51.488 52.037 -0.075 0.000 0.799 1207 A CB 0.928 19.876 19.000 -0.087 0.000 1.194 1207 A HN 0.901 nan 8.150 nan 0.000 0.479 1208 K N 2.531 122.694 120.400 -0.394 0.000 2.274 1208 K HA 0.599 4.919 4.320 -0.000 0.000 0.262 1208 K C -1.890 174.477 176.600 -0.390 0.000 0.961 1208 K CA -0.375 55.619 56.287 -0.488 0.000 0.833 1208 K CB 0.642 32.471 32.500 -1.118 0.000 1.102 1208 K HN 0.476 nan 8.250 nan 0.000 0.436 1209 F N 3.131 123.045 119.950 -0.059 0.000 2.308 1209 F HA 0.201 4.728 4.527 0.000 0.000 0.370 1209 F C 0.297 176.264 175.800 0.279 0.000 1.100 1209 F CA -0.578 57.461 58.000 0.065 0.000 1.108 1209 F CB 1.280 40.174 39.000 -0.178 0.000 1.293 1209 F HN 0.545 nan 8.300 nan 0.000 0.478 1210 E N 2.939 123.334 120.200 0.325 0.000 2.052 1210 E HA 0.473 4.823 4.350 -0.000 0.000 0.283 1210 E C 0.252 177.022 176.600 0.283 0.000 1.071 1210 E CA -0.295 56.255 56.400 0.250 0.000 0.851 1210 E CB 0.584 30.337 29.700 0.088 0.000 1.066 1210 E HN 0.779 nan 8.360 nan 0.000 0.396 1211 G N 2.901 111.854 108.800 0.255 0.000 2.753 1211 G HA2 0.075 4.035 3.960 -0.000 0.000 0.285 1211 G HA3 0.075 4.035 3.960 -0.000 0.000 0.285 1211 G C 0.475 175.354 174.900 -0.035 0.000 1.344 1211 G CA -0.223 44.800 45.100 -0.128 0.000 1.050 1211 G HN 0.719 nan 8.290 nan 0.000 0.532 1212 E N -1.782 118.381 120.200 -0.061 0.000 2.230 1212 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 1212 E C 1.382 178.007 176.600 0.042 0.000 0.987 1212 E CA 1.005 57.416 56.400 0.018 0.000 0.841 1212 E CB -0.002 29.729 29.700 0.052 0.000 0.783 1212 E HN 0.530 nan 8.360 nan 0.000 0.481 1213 H N 0.423 119.478 119.070 -0.024 0.000 2.393 1213 H HA 0.487 5.043 4.556 -0.000 0.000 0.307 1213 H C 0.407 175.741 175.328 0.011 0.000 1.038 1213 H CA 0.950 56.994 56.048 -0.007 0.000 1.351 1213 H CB 0.783 30.542 29.762 -0.005 0.000 1.464 1213 H HN 0.283 nan 8.280 nan 0.000 0.575 1214 A N -0.399 122.538 122.820 0.195 0.000 2.483 1214 A HA 0.606 4.926 4.320 -0.000 0.000 0.286 1214 A C -1.113 176.529 177.584 0.096 0.000 1.207 1214 A CA -0.743 51.346 52.037 0.088 0.000 0.764 1214 A CB 1.222 20.252 19.000 0.051 0.000 1.341 1214 A HN 0.404 nan 8.150 nan 0.000 0.428 1215 N N -0.846 117.796 118.700 -0.097 0.000 2.258 1215 N HA 0.601 5.341 4.740 -0.000 0.000 0.299 1215 N C -2.185 173.161 175.510 -0.272 0.000 1.047 1215 N CA -0.199 52.844 53.050 -0.012 0.000 0.814 1215 N CB 1.833 40.336 38.487 0.027 0.000 1.413 1215 N HN 0.534 nan 8.380 nan 0.000 0.478 1216 Y N 0.453 120.808 120.300 0.093 0.000 2.391 1216 Y HA 0.478 5.028 4.550 -0.000 0.000 0.341 1216 Y C -0.440 175.518 175.900 0.097 0.000 0.965 1216 Y CA -0.868 57.250 58.100 0.029 0.000 1.067 1216 Y CB 1.639 40.058 38.460 -0.067 0.000 1.199 1216 Y HN 0.114 nan 8.280 nan 0.000 0.450 1217 V N 4.620 124.680 119.914 0.243 0.000 2.444 1217 V HA 0.625 4.745 4.120 -0.000 0.000 0.294 1217 V C -0.627 175.582 176.094 0.191 0.000 1.022 1217 V CA -0.881 61.517 62.300 0.164 0.000 0.850 1217 V CB 1.549 33.439 31.823 0.112 0.000 0.992 1217 V HN 0.599 nan 8.190 nan 0.000 0.426 1218 V N 2.282 122.312 119.914 0.192 0.000 2.715 1218 V HA 1.007 5.127 4.120 -0.000 0.000 0.310 1218 V C 0.292 176.471 176.094 0.140 0.000 1.054 1218 V CA -0.807 61.588 62.300 0.158 0.000 0.928 1218 V CB 1.643 33.564 31.823 0.163 0.000 1.007 1218 V HN 0.998 nan 8.190 nan 0.000 0.437 1219 A N 4.535 127.423 122.820 0.114 0.000 2.351 1219 A HA 0.743 5.063 4.320 -0.000 0.000 0.257 1219 A C -0.110 177.532 177.584 0.096 0.000 1.087 1219 A CA -0.585 51.514 52.037 0.104 0.000 0.798 1219 A CB 0.220 19.273 19.000 0.087 0.000 1.033 1219 A HN 0.981 nan 8.150 nan 0.000 0.488 1220 L N 1.375 122.649 121.223 0.085 0.000 2.343 1220 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 1220 L C 0.309 177.234 176.870 0.093 0.000 1.056 1220 L CA -0.845 54.051 54.840 0.093 0.000 0.804 1220 L CB 0.914 43.018 42.059 0.076 0.000 1.203 1220 L HN 0.651 nan 8.230 nan 0.000 0.440 1221 E N 0.807 121.066 120.200 0.099 0.000 2.373 1221 E HA 0.106 4.456 4.350 -0.000 0.000 0.263 1221 E C 0.732 177.378 176.600 0.077 0.000 1.073 1221 E CA 0.080 56.526 56.400 0.077 0.000 0.894 1221 E CB 1.351 31.090 29.700 0.065 0.000 1.008 1221 E HN 0.686 nan 8.360 nan 0.000 0.420 1222 A N 3.137 125.992 122.820 0.059 0.000 1.958 1222 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 1222 A C 1.362 178.980 177.584 0.056 0.000 1.178 1222 A CA 2.308 54.378 52.037 0.055 0.000 0.642 1222 A CB -0.584 18.440 19.000 0.040 0.000 0.816 1222 A HN 0.632 nan 8.150 nan 0.000 0.453 1223 D N 0.268 120.694 120.400 0.044 0.000 2.384 1223 D HA 0.038 4.678 4.640 -0.000 0.000 0.222 1223 D C 0.680 177.008 176.300 0.047 0.000 0.976 1223 D CA 0.652 54.670 54.000 0.029 0.000 0.915 1223 D CB -0.149 40.651 40.800 0.001 0.000 0.896 1223 D HN 0.326 nan 8.370 nan 0.000 0.523 1224 S N 0.268 116.025 115.700 0.094 0.000 2.573 1224 S HA 0.294 4.764 4.470 -0.000 0.000 0.277 1224 S C 0.552 175.242 174.600 0.149 0.000 1.346 1224 S CA -0.185 58.100 58.200 0.143 0.000 1.034 1224 S CB 0.807 64.157 63.200 0.250 0.000 0.879 1224 S HN 0.357 nan 8.310 nan 0.000 0.528 1225 T N -0.487 114.141 114.554 0.124 0.000 2.896 1225 T HA 0.780 5.130 4.350 -0.000 0.000 0.297 1225 T C -1.004 173.794 174.700 0.163 0.000 1.108 1225 T CA -0.916 61.260 62.100 0.127 0.000 1.004 1225 T CB 2.005 70.876 68.868 0.005 0.000 1.159 1225 T HN 0.953 nan 8.240 nan 0.000 0.499 1226 H N 0.027 119.062 119.070 -0.059 0.000 2.894 1226 H HA 0.376 4.932 4.556 -0.000 0.000 0.282 1226 H C -1.879 173.393 175.328 -0.094 0.000 1.448 1226 H CA -0.611 55.382 56.048 -0.091 0.000 1.158 1226 H CB 0.596 30.409 29.762 0.086 0.000 1.818 1226 H HN 0.716 nan 8.280 nan 0.000 0.493 1227 D N 0.063 120.312 120.400 -0.253 0.000 2.720 1227 D HA 0.245 4.885 4.640 -0.000 0.000 0.285 1227 D C -0.463 175.732 176.300 -0.175 0.000 1.359 1227 D CA -0.353 53.488 54.000 -0.265 0.000 0.818 1227 D CB -0.402 40.273 40.800 -0.209 0.000 1.108 1227 D HN 0.201 nan 8.370 nan 0.000 0.474 1228 F N 0.000 120.044 119.950 0.156 0.000 2.286 1228 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1228 F CA 0.000 58.121 58.000 0.201 0.000 1.383 1228 F CB 0.000 39.192 39.000 0.320 0.000 1.145 1228 F HN 0.000 nan 8.300 nan 0.000 0.574