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 3c9i_1_C DATA FIRST_RESID 1001 DATA SEQUENCE MADPSLNNPV VIQATRLDAS ILPRNVFSKS YLLYVIAQGT DVGAIAGKAN DATA SEQUENCE EAGQGAYDAQ VKNDEQDVEL ADHEARIKQL RIDVDDHESR ITANTKAITA DATA SEQUENCE LNVRVTTAEG EIASLQTNVS ALDGRVTTAE NNISALQADY VSKTATTSQS DATA SEQUENCE LASPLNVTTS YSVGGKKVVG ARQTGWTAAT GTANKGVFDA DLTFAVSDTY DATA SEQUENCE TQSEIQAIAN ALITERRRTK AMEDALRAHG LID 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 0.000 176.303 176.300 0.005 0.000 1.140 1001 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1001 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 1002 A N 3.079 125.889 122.820 -0.016 0.000 2.558 1002 A HA 0.177 4.674 4.320 0.295 0.000 0.262 1002 A C -0.313 177.350 177.584 0.132 0.000 1.049 1002 A CA 1.065 53.099 52.037 -0.005 0.000 0.804 1002 A CB -0.424 18.499 19.000 -0.129 0.000 0.957 1002 A HN 0.485 nan 8.150 nan 0.000 0.520 1003 D N 4.608 125.116 120.400 0.179 0.000 2.380 1003 D HA 0.268 5.085 4.640 0.295 0.000 0.230 1003 D C -1.007 175.427 176.300 0.223 0.000 1.154 1003 D CA -2.060 52.038 54.000 0.163 0.000 0.859 1003 D CB 1.099 41.958 40.800 0.098 0.000 1.045 1003 D HN 0.283 nan 8.370 nan 0.000 0.495 1004 P HA -0.160 nan 4.420 nan 0.000 0.219 1004 P C 1.425 178.619 177.300 -0.176 0.000 1.146 1004 P CA 0.551 63.585 63.100 -0.110 0.000 0.808 1004 P CB 0.393 32.067 31.700 -0.044 0.000 0.779 1005 S N -0.396 115.267 115.700 -0.061 0.000 2.400 1005 S HA -0.116 4.531 4.470 0.295 0.000 0.232 1005 S C 1.951 176.511 174.600 -0.066 0.000 1.025 1005 S CA 0.730 58.896 58.200 -0.057 0.000 0.993 1005 S CB -1.016 62.172 63.200 -0.019 0.000 0.808 1005 S HN 0.072 nan 8.310 nan 0.000 0.478 1006 L N 1.074 122.274 121.223 -0.039 0.000 2.191 1006 L HA -0.079 4.438 4.340 0.295 0.000 0.212 1006 L C 2.109 178.933 176.870 -0.076 0.000 1.103 1006 L CA 1.181 56.016 54.840 -0.008 0.000 0.769 1006 L CB -0.398 41.724 42.059 0.105 0.000 0.908 1006 L HN 0.326 nan 8.230 nan 0.000 0.438 1007 N N -0.140 118.414 118.700 -0.244 0.000 2.353 1007 N HA -0.017 4.900 4.740 0.295 0.000 0.185 1007 N C -0.023 175.380 175.510 -0.178 0.000 1.098 1007 N CA 0.034 52.913 53.050 -0.285 0.000 0.872 1007 N CB 0.075 38.164 38.487 -0.664 0.000 0.970 1007 N HN 0.292 nan 8.380 nan 0.000 0.467 1008 N N 1.292 119.909 118.700 -0.138 0.000 2.411 1008 N HA 0.188 5.105 4.740 0.295 0.000 0.259 1008 N C -2.504 172.970 175.510 -0.060 0.000 1.103 1008 N CA -1.247 51.749 53.050 -0.091 0.000 0.954 1008 N CB 0.977 39.418 38.487 -0.076 0.000 1.085 1008 N HN 0.165 nan 8.380 nan 0.000 0.485 1009 P HA 0.033 nan 4.420 nan 0.000 0.274 1009 P C -0.684 176.599 177.300 -0.027 0.000 1.237 1009 P CA -0.453 62.627 63.100 -0.034 0.000 0.793 1009 P CB 0.831 32.513 31.700 -0.030 0.000 0.977 1010 V N 3.617 123.518 119.914 -0.021 0.000 2.368 1010 V HA 0.171 4.468 4.120 0.295 0.000 0.266 1010 V C -0.216 175.868 176.094 -0.017 0.000 1.045 1010 V CA -0.633 61.657 62.300 -0.018 0.000 0.899 1010 V CB 0.918 32.732 31.823 -0.014 0.000 1.006 1010 V HN 0.373 nan 8.190 nan 0.000 0.470 1011 V N 8.736 128.640 119.914 -0.016 0.000 2.408 1011 V HA 0.335 4.632 4.120 0.295 0.000 0.267 1011 V C 0.972 177.058 176.094 -0.013 0.000 1.047 1011 V CA 0.024 62.315 62.300 -0.015 0.000 0.937 1011 V CB 1.147 32.962 31.823 -0.015 0.000 0.999 1011 V HN 0.853 nan 8.190 nan 0.000 0.472 1012 I N 4.564 125.127 120.570 -0.013 0.000 3.752 1012 I HA 0.231 4.578 4.170 0.295 0.000 0.313 1012 I C 0.982 177.093 176.117 -0.011 0.000 1.304 1012 I CA 0.023 61.316 61.300 -0.012 0.000 1.171 1012 I CB -0.755 37.236 38.000 -0.015 0.000 1.038 1012 I HN 0.921 nan 8.210 nan 0.000 0.427 1013 Q N 0.003 119.797 119.800 -0.010 0.000 2.426 1013 Q HA -0.224 4.293 4.340 0.295 0.000 0.359 1013 Q C -0.068 175.926 176.000 -0.009 0.000 1.381 1013 Q CA 0.576 56.374 55.803 -0.008 0.000 1.060 1013 Q CB -1.878 26.857 28.738 -0.006 0.000 1.253 1013 Q HN 0.727 nan 8.270 nan 0.000 0.363 1014 A N 1.871 124.685 122.820 -0.011 0.000 2.444 1014 A HA 0.408 4.905 4.320 0.295 0.000 0.273 1014 A C 1.017 178.595 177.584 -0.010 0.000 1.136 1014 A CA 0.513 52.543 52.037 -0.012 0.000 0.799 1014 A CB 0.355 19.347 19.000 -0.014 0.000 1.081 1014 A HN 0.810 nan 8.150 nan 0.000 0.509 1015 T N 0.231 114.779 114.554 -0.009 0.000 3.448 1015 T HA 0.359 4.886 4.350 0.295 0.000 0.271 1015 T C 0.205 174.900 174.700 -0.008 0.000 1.002 1015 T CA -0.489 61.608 62.100 -0.006 0.000 0.995 1015 T CB -0.633 68.233 68.868 -0.002 0.000 1.153 1015 T HN 0.995 nan 8.240 nan 0.000 0.510 1016 R N 1.515 122.008 120.500 -0.012 0.000 3.506 1016 R HA -0.122 4.395 4.340 0.295 0.000 0.162 1016 R C -0.319 175.973 176.300 -0.013 0.000 0.702 1016 R CA 0.167 56.258 56.100 -0.016 0.000 0.882 1016 R CB -0.611 29.680 30.300 -0.015 0.000 1.058 1016 R HN 0.606 nan 8.270 nan 0.000 0.311 1017 L N 4.098 125.310 121.223 -0.018 0.000 2.485 1017 L HA 0.100 4.617 4.340 0.295 0.000 0.275 1017 L C 0.074 176.940 176.870 -0.005 0.000 1.207 1017 L CA 0.671 55.504 54.840 -0.011 0.000 0.855 1017 L CB 0.406 42.450 42.059 -0.025 0.000 1.114 1017 L HN 0.958 nan 8.230 nan 0.000 0.485 1018 D N 2.668 123.072 120.400 0.007 0.000 2.714 1018 D HA 0.358 5.175 4.640 0.295 0.000 0.278 1018 D C -0.544 175.771 176.300 0.026 0.000 1.102 1018 D CA -0.592 53.415 54.000 0.011 0.000 1.108 1018 D CB 1.844 42.649 40.800 0.009 0.000 1.444 1018 D HN 0.433 nan 8.370 nan 0.000 0.568 1019 A N -0.265 122.570 122.820 0.025 0.000 2.842 1019 A HA 0.280 4.777 4.320 0.295 0.000 0.298 1019 A C 0.876 178.475 177.584 0.023 0.000 1.293 1019 A CA -0.122 51.936 52.037 0.034 0.000 0.959 1019 A CB -0.195 18.823 19.000 0.031 0.000 1.119 1019 A HN 0.310 nan 8.150 nan 0.000 0.564 1020 S N -0.502 115.210 115.700 0.021 0.000 2.549 1020 S HA 0.151 4.798 4.470 0.295 0.000 0.225 1020 S C 1.206 175.816 174.600 0.016 0.000 1.039 1020 S CA 0.684 58.892 58.200 0.014 0.000 0.942 1020 S CB -0.198 63.008 63.200 0.010 0.000 0.881 1020 S HN 0.795 nan 8.310 nan 0.000 0.503 1021 I N -1.282 119.303 120.570 0.025 0.000 4.240 1021 I HA 0.505 4.852 4.170 0.295 0.000 0.331 1021 I C -0.301 175.843 176.117 0.045 0.000 1.381 1021 I CA -0.371 60.946 61.300 0.029 0.000 1.136 1021 I CB 0.242 38.259 38.000 0.030 0.000 1.137 1021 I HN -0.008 nan 8.210 nan 0.000 0.411 1022 L N 2.829 124.085 121.223 0.056 0.000 2.395 1022 L HA 0.463 4.980 4.340 0.295 0.000 0.269 1022 L C -1.974 174.898 176.870 0.004 0.000 1.133 1022 L CA -1.625 53.270 54.840 0.091 0.000 0.812 1022 L CB 0.379 42.525 42.059 0.146 0.000 1.125 1022 L HN -0.079 nan 8.230 nan 0.000 0.452 1023 P HA 0.003 nan 4.420 nan 0.000 0.265 1023 P C -1.147 176.017 177.300 -0.226 0.000 1.193 1023 P CA -0.247 62.721 63.100 -0.221 0.000 0.765 1023 P CB 0.271 31.692 31.700 -0.464 0.000 0.823 1024 R N 3.728 124.140 120.500 -0.147 0.000 2.419 1024 R HA 0.162 4.679 4.340 0.295 0.000 0.305 1024 R C -0.122 176.102 176.300 -0.125 0.000 1.242 1024 R CA -0.414 55.623 56.100 -0.105 0.000 1.105 1024 R CB -1.250 29.013 30.300 -0.061 0.000 1.116 1024 R HN 0.809 nan 8.270 nan 0.000 0.523 1025 N N 0.480 119.092 118.700 -0.146 0.000 2.408 1025 N HA -0.232 4.685 4.740 0.295 0.000 0.293 1025 N C -0.483 174.932 175.510 -0.158 0.000 1.433 1025 N CA 0.674 53.649 53.050 -0.125 0.000 0.637 1025 N CB -1.024 37.427 38.487 -0.060 0.000 0.941 1025 N HN 0.525 nan 8.380 nan 0.000 0.499 1026 V N 0.999 120.773 119.914 -0.233 0.000 3.184 1026 V HA 0.331 4.628 4.120 0.295 0.000 0.214 1026 V C -0.757 175.297 176.094 -0.066 0.000 1.570 1026 V CA 0.763 62.949 62.300 -0.190 0.000 1.160 1026 V CB 0.095 31.750 31.823 -0.280 0.000 1.098 1026 V HN 0.504 nan 8.190 nan 0.000 0.483 1027 F N 2.600 122.596 119.950 0.077 0.000 2.492 1027 F HA 0.932 5.636 4.527 0.295 0.000 0.327 1027 F C 0.696 176.560 175.800 0.107 0.000 1.079 1027 F CA -0.740 57.326 58.000 0.110 0.000 0.967 1027 F CB 0.503 39.660 39.000 0.261 0.000 1.169 1027 F HN 0.229 nan 8.300 nan 0.000 0.472 1028 S N 2.100 118.002 115.700 0.336 0.000 2.695 1028 S HA 0.072 4.719 4.470 0.295 0.000 0.250 1028 S C 1.346 176.070 174.600 0.206 0.000 1.355 1028 S CA 0.094 58.420 58.200 0.210 0.000 0.965 1028 S CB 0.175 63.454 63.200 0.132 0.000 0.987 1028 S HN 0.924 nan 8.310 nan 0.000 0.576 1029 K N 0.478 120.956 120.400 0.130 0.000 1.965 1029 K HA -0.125 4.372 4.320 0.295 0.000 0.218 1029 K C 2.199 178.862 176.600 0.105 0.000 1.048 1029 K CA 1.824 58.172 56.287 0.102 0.000 0.960 1029 K CB -1.324 31.218 32.500 0.069 0.000 0.732 1029 K HN 0.467 nan 8.250 nan 0.000 0.444 1030 S N 0.749 116.506 115.700 0.095 0.000 2.351 1030 S HA -0.210 4.436 4.470 0.295 0.000 0.220 1030 S C 1.915 176.586 174.600 0.118 0.000 1.035 1030 S CA 1.473 59.729 58.200 0.094 0.000 1.031 1030 S CB -0.771 62.467 63.200 0.065 0.000 0.928 1030 S HN 0.391 nan 8.310 nan 0.000 0.433 1031 Y N 1.985 122.263 120.300 -0.037 0.000 2.298 1031 Y HA -0.155 4.572 4.550 0.295 0.000 0.287 1031 Y C 2.062 177.905 175.900 -0.095 0.000 1.164 1031 Y CA 0.864 58.892 58.100 -0.119 0.000 1.229 1031 Y CB -0.504 37.825 38.460 -0.218 0.000 0.977 1031 Y HN 0.200 nan 8.280 nan 0.000 0.538 1032 L N -0.757 120.464 121.223 -0.004 0.000 2.005 1032 L HA -0.162 4.355 4.340 0.295 0.000 0.207 1032 L C 2.192 179.027 176.870 -0.059 0.000 1.072 1032 L CA 1.654 56.495 54.840 0.003 0.000 0.744 1032 L CB -1.062 41.106 42.059 0.181 0.000 0.895 1032 L HN 0.260 nan 8.230 nan 0.000 0.433 1033 L N -1.088 120.135 121.223 -0.000 0.000 2.109 1033 L HA -0.207 4.310 4.340 0.295 0.000 0.207 1033 L C 2.448 179.294 176.870 -0.041 0.000 1.086 1033 L CA 1.780 56.613 54.840 -0.011 0.000 0.760 1033 L CB -1.426 40.645 42.059 0.019 0.000 0.910 1033 L HN 0.549 nan 8.230 nan 0.000 0.437 1034 Y N -0.716 119.486 120.300 -0.164 0.000 2.384 1034 Y HA -0.196 4.531 4.550 0.295 0.000 0.289 1034 Y C 2.374 178.109 175.900 -0.274 0.000 1.152 1034 Y CA 1.716 59.707 58.100 -0.181 0.000 1.258 1034 Y CB -0.135 38.244 38.460 -0.136 0.000 0.979 1034 Y HN -0.011 nan 8.280 nan 0.000 0.549 1035 V N -0.430 119.322 119.914 -0.270 0.000 2.992 1035 V HA -0.089 4.207 4.120 0.295 0.000 0.250 1035 V C 1.957 177.914 176.094 -0.229 0.000 1.090 1035 V CA 0.760 62.858 62.300 -0.337 0.000 1.101 1035 V CB -0.261 31.256 31.823 -0.510 0.000 0.743 1035 V HN 0.393 nan 8.190 nan 0.000 0.468 1036 I N 0.688 121.154 120.570 -0.172 0.000 2.286 1036 I HA -0.059 4.288 4.170 0.295 0.000 0.245 1036 I C 2.633 178.675 176.117 -0.124 0.000 1.104 1036 I CA 1.752 62.986 61.300 -0.110 0.000 1.397 1036 I CB -1.449 36.512 38.000 -0.066 0.000 1.072 1036 I HN 0.362 nan 8.210 nan 0.000 0.417 1037 A N -0.232 122.493 122.820 -0.158 0.000 2.014 1037 A HA -0.191 4.306 4.320 0.295 0.000 0.218 1037 A C 2.287 179.742 177.584 -0.215 0.000 1.163 1037 A CA 1.013 52.952 52.037 -0.164 0.000 0.652 1037 A CB -0.501 18.403 19.000 -0.161 0.000 0.808 1037 A HN 0.457 nan 8.150 nan 0.000 0.449 1038 Q N -0.656 118.959 119.800 -0.308 0.000 2.123 1038 Q HA -0.084 4.433 4.340 0.295 0.000 0.199 1038 Q C 2.038 177.932 176.000 -0.177 0.000 0.966 1038 Q CA 1.129 56.748 55.803 -0.306 0.000 0.845 1038 Q CB -0.333 28.156 28.738 -0.415 0.000 0.907 1038 Q HN 0.625 nan 8.270 nan 0.000 0.439 1039 G N -0.039 108.672 108.800 -0.148 0.000 2.432 1039 G HA2 -0.258 3.879 3.960 0.295 0.000 0.219 1039 G HA3 -0.258 3.879 3.960 0.295 0.000 0.219 1039 G C 1.452 176.304 174.900 -0.079 0.000 1.135 1039 G CA 1.436 46.479 45.100 -0.095 0.000 0.767 1039 G HN 0.535 nan 8.290 nan 0.000 0.550 1040 T N -0.308 114.193 114.554 -0.088 0.000 2.937 1040 T HA -0.055 4.472 4.350 0.295 0.000 0.260 1040 T C 1.855 176.514 174.700 -0.068 0.000 1.051 1040 T CA 1.495 63.554 62.100 -0.069 0.000 1.141 1040 T CB -0.205 68.624 68.868 -0.065 0.000 0.879 1040 T HN 0.427 nan 8.240 nan 0.000 0.459 1041 D N 1.199 121.546 120.400 -0.089 0.000 2.317 1041 D HA 0.025 4.842 4.640 0.295 0.000 0.211 1041 D C 1.818 178.078 176.300 -0.066 0.000 0.966 1041 D CA 0.060 54.013 54.000 -0.078 0.000 0.876 1041 D CB -0.511 40.231 40.800 -0.097 0.000 0.927 1041 D HN 0.359 nan 8.370 nan 0.000 0.519 1042 V N 0.649 120.522 119.914 -0.069 0.000 2.488 1042 V HA 0.037 4.334 4.120 0.295 0.000 0.246 1042 V C 2.468 178.539 176.094 -0.039 0.000 1.046 1042 V CA 1.767 64.035 62.300 -0.052 0.000 1.053 1042 V CB -0.574 31.218 31.823 -0.052 0.000 0.679 1042 V HN 0.481 nan 8.190 nan 0.000 0.458 1043 G N -0.551 108.224 108.800 -0.041 0.000 2.448 1043 G HA2 -0.084 4.053 3.960 0.295 0.000 0.218 1043 G HA3 -0.084 4.053 3.960 0.295 0.000 0.218 1043 G C 1.672 176.555 174.900 -0.028 0.000 1.135 1043 G CA 0.938 46.019 45.100 -0.032 0.000 0.784 1043 G HN 0.568 nan 8.290 nan 0.000 0.543 1044 A N 0.740 123.541 122.820 -0.032 0.000 1.898 1044 A HA 0.213 4.710 4.320 0.295 0.000 0.214 1044 A C 2.310 179.880 177.584 -0.024 0.000 1.183 1044 A CA 0.749 52.770 52.037 -0.027 0.000 0.622 1044 A CB -0.243 18.738 19.000 -0.031 0.000 0.824 1044 A HN 0.322 nan 8.150 nan 0.000 0.444 1045 I N -0.023 120.531 120.570 -0.026 0.000 2.361 1045 I HA -0.270 4.077 4.170 0.295 0.000 0.251 1045 I C 2.893 178.999 176.117 -0.017 0.000 1.133 1045 I CA 0.963 62.250 61.300 -0.021 0.000 1.413 1045 I CB -0.257 37.729 38.000 -0.024 0.000 1.073 1045 I HN 0.362 nan 8.210 nan 0.000 0.424 1046 A N 0.891 123.700 122.820 -0.019 0.000 1.898 1046 A HA -0.091 4.406 4.320 0.295 0.000 0.216 1046 A C 2.445 180.020 177.584 -0.014 0.000 1.181 1046 A CA 1.782 53.810 52.037 -0.016 0.000 0.620 1046 A CB -1.310 17.680 19.000 -0.018 0.000 0.819 1046 A HN 0.443 nan 8.150 nan 0.000 0.442 1047 G N -0.259 108.532 108.800 -0.015 0.000 2.408 1047 G HA2 -0.231 3.906 3.960 0.295 0.000 0.217 1047 G HA3 -0.231 3.906 3.960 0.295 0.000 0.217 1047 G C 1.629 176.524 174.900 -0.009 0.000 1.150 1047 G CA 1.422 46.514 45.100 -0.012 0.000 0.776 1047 G HN 0.530 nan 8.290 nan 0.000 0.542 1048 K N 1.189 121.583 120.400 -0.009 0.000 2.097 1048 K HA 0.195 4.692 4.320 0.295 0.000 0.205 1048 K C 2.599 179.196 176.600 -0.004 0.000 1.050 1048 K CA 1.477 57.761 56.287 -0.006 0.000 0.938 1048 K CB -0.606 31.889 32.500 -0.008 0.000 0.718 1048 K HN 0.153 nan 8.250 nan 0.000 0.442 1049 A N 0.803 123.620 122.820 -0.005 0.000 1.969 1049 A HA -0.112 4.385 4.320 0.295 0.000 0.218 1049 A C 1.837 179.420 177.584 -0.002 0.000 1.169 1049 A CA 1.586 53.621 52.037 -0.003 0.000 0.635 1049 A CB -0.566 18.431 19.000 -0.006 0.000 0.810 1049 A HN 0.377 nan 8.150 nan 0.000 0.445 1050 N N 0.376 119.072 118.700 -0.005 0.000 2.216 1050 N HA -0.142 4.775 4.740 0.295 0.000 0.183 1050 N C 1.783 177.293 175.510 -0.000 0.000 1.017 1050 N CA 1.600 54.646 53.050 -0.007 0.000 0.861 1050 N CB -0.340 38.141 38.487 -0.012 0.000 0.986 1050 N HN 0.847 nan 8.380 nan 0.000 0.428 1051 E N 0.623 120.824 120.200 0.002 0.000 2.112 1051 E HA 0.020 4.547 4.350 0.295 0.000 0.190 1051 E C 1.866 178.476 176.600 0.016 0.000 0.979 1051 E CA 0.909 57.314 56.400 0.009 0.000 0.814 1051 E CB -0.192 29.512 29.700 0.006 0.000 0.762 1051 E HN 0.161 nan 8.360 nan 0.000 0.460 1052 A N 2.043 124.870 122.820 0.012 0.000 1.908 1052 A HA -0.076 4.421 4.320 0.295 0.000 0.218 1052 A C 2.513 180.113 177.584 0.026 0.000 1.181 1052 A CA 1.839 53.886 52.037 0.016 0.000 0.627 1052 A CB -1.333 17.673 19.000 0.010 0.000 0.818 1052 A HN 0.423 nan 8.150 nan 0.000 0.445 1053 G N -1.079 107.735 108.800 0.024 0.000 2.421 1053 G HA2 -0.280 3.857 3.960 0.295 0.000 0.216 1053 G HA3 -0.280 3.857 3.960 0.295 0.000 0.216 1053 G C 1.628 176.567 174.900 0.065 0.000 1.171 1053 G CA 1.077 46.198 45.100 0.034 0.000 0.775 1053 G HN 0.610 nan 8.290 nan 0.000 0.543 1054 Q N 0.021 119.852 119.800 0.051 0.000 2.135 1054 Q HA -0.048 4.469 4.340 0.295 0.000 0.204 1054 Q C 2.639 178.708 176.000 0.116 0.000 0.981 1054 Q CA 1.567 57.422 55.803 0.086 0.000 0.856 1054 Q CB -0.497 28.270 28.738 0.047 0.000 0.902 1054 Q HN 0.418 nan 8.270 nan 0.000 0.425 1055 G N -0.206 108.635 108.800 0.068 0.000 2.422 1055 G HA2 -0.178 3.959 3.960 0.295 0.000 0.218 1055 G HA3 -0.178 3.959 3.960 0.295 0.000 0.218 1055 G C 1.368 176.298 174.900 0.049 0.000 1.140 1055 G CA 0.696 45.826 45.100 0.050 0.000 0.775 1055 G HN 0.468 nan 8.290 nan 0.000 0.545 1056 A N 0.064 122.921 122.820 0.062 0.000 1.897 1056 A HA 0.022 4.519 4.320 0.295 0.000 0.215 1056 A C 2.171 179.797 177.584 0.069 0.000 1.181 1056 A CA 1.563 53.631 52.037 0.052 0.000 0.620 1056 A CB -0.679 18.354 19.000 0.055 0.000 0.821 1056 A HN 0.416 nan 8.150 nan 0.000 0.443 1057 Y N 1.476 121.773 120.300 -0.005 0.000 2.128 1057 Y HA -0.247 4.480 4.550 0.295 0.000 0.284 1057 Y C 1.832 177.728 175.900 -0.006 0.000 1.154 1057 Y CA 2.135 60.232 58.100 -0.005 0.000 1.149 1057 Y CB -0.244 38.212 38.460 -0.005 0.000 0.976 1057 Y HN 0.364 nan 8.280 nan 0.000 0.505 1058 D N 0.045 120.421 120.400 -0.040 0.000 2.144 1058 D HA -0.167 4.650 4.640 0.295 0.000 0.199 1058 D C 2.279 178.495 176.300 -0.141 0.000 0.984 1058 D CA 1.448 55.375 54.000 -0.122 0.000 0.834 1058 D CB -0.614 40.185 40.800 -0.002 0.000 0.955 1058 D HN 0.491 nan 8.370 nan 0.000 0.465 1059 A N 0.781 123.551 122.820 -0.084 0.000 1.930 1059 A HA -0.207 4.290 4.320 0.295 0.000 0.217 1059 A C 2.128 179.650 177.584 -0.104 0.000 1.175 1059 A CA 1.251 53.245 52.037 -0.072 0.000 0.627 1059 A CB -0.479 18.499 19.000 -0.037 0.000 0.815 1059 A HN 0.207 nan 8.150 nan 0.000 0.443 1060 Q N -0.537 119.180 119.800 -0.139 0.000 2.079 1060 Q HA -0.086 4.431 4.340 0.295 0.000 0.200 1060 Q C 2.150 178.028 176.000 -0.202 0.000 0.974 1060 Q CA 1.486 57.201 55.803 -0.146 0.000 0.840 1060 Q CB -0.317 28.347 28.738 -0.123 0.000 0.898 1060 Q HN 0.487 nan 8.270 nan 0.000 0.430 1061 V N 1.513 121.223 119.914 -0.341 0.000 2.332 1061 V HA -0.284 4.013 4.120 0.295 0.000 0.248 1061 V C 2.279 178.270 176.094 -0.172 0.000 1.055 1061 V CA 2.026 64.141 62.300 -0.308 0.000 1.038 1061 V CB -0.476 31.089 31.823 -0.430 0.000 0.651 1061 V HN 0.265 nan 8.190 nan 0.000 0.450 1062 K N 0.909 121.220 120.400 -0.148 0.000 2.097 1062 K HA -0.152 4.345 4.320 0.295 0.000 0.206 1062 K C 1.847 178.398 176.600 -0.081 0.000 1.049 1062 K CA 1.632 57.862 56.287 -0.096 0.000 0.933 1062 K CB -0.466 31.987 32.500 -0.078 0.000 0.717 1062 K HN 0.396 nan 8.250 nan 0.000 0.442 1063 N N 1.346 119.996 118.700 -0.083 0.000 2.104 1063 N HA -0.142 4.775 4.740 0.295 0.000 0.190 1063 N C 1.109 176.580 175.510 -0.064 0.000 1.024 1063 N CA 1.563 54.574 53.050 -0.065 0.000 0.853 1063 N CB -0.476 37.976 38.487 -0.058 0.000 1.008 1063 N HN 0.303 nan 8.380 nan 0.000 0.424 1064 D N 0.913 121.269 120.400 -0.073 0.000 2.123 1064 D HA -0.122 4.695 4.640 0.295 0.000 0.196 1064 D C 1.696 177.960 176.300 -0.060 0.000 0.992 1064 D CA 0.915 54.878 54.000 -0.063 0.000 0.833 1064 D CB -0.183 40.578 40.800 -0.067 0.000 0.954 1064 D HN 0.481 nan 8.370 nan 0.000 0.455 1065 E N 0.318 120.478 120.200 -0.066 0.000 2.106 1065 E HA -0.149 4.378 4.350 0.295 0.000 0.192 1065 E C 2.108 178.667 176.600 -0.070 0.000 0.984 1065 E CA 0.630 56.993 56.400 -0.062 0.000 0.806 1065 E CB -0.079 29.585 29.700 -0.060 0.000 0.750 1065 E HN 0.391 nan 8.360 nan 0.000 0.458 1066 Q N 0.471 120.229 119.800 -0.070 0.000 2.230 1066 Q HA -0.142 4.375 4.340 0.295 0.000 0.202 1066 Q C 1.419 177.369 176.000 -0.084 0.000 0.963 1066 Q CA 0.864 56.620 55.803 -0.080 0.000 0.866 1066 Q CB 0.128 28.828 28.738 -0.064 0.000 0.931 1066 Q HN 0.187 nan 8.270 nan 0.000 0.452 1067 D N -0.097 120.264 120.400 -0.066 0.000 2.117 1067 D HA -0.115 4.702 4.640 0.295 0.000 0.198 1067 D C 1.870 178.132 176.300 -0.064 0.000 0.982 1067 D CA 0.761 54.727 54.000 -0.057 0.000 0.828 1067 D CB 0.006 40.780 40.800 -0.043 0.000 0.967 1067 D HN 0.003 nan 8.370 nan 0.000 0.464 1068 V N 0.735 120.611 119.914 -0.065 0.000 2.287 1068 V HA -0.229 4.068 4.120 0.295 0.000 0.248 1068 V C 2.393 178.431 176.094 -0.093 0.000 1.053 1068 V CA 1.882 64.145 62.300 -0.062 0.000 1.027 1068 V CB -0.406 31.386 31.823 -0.053 0.000 0.646 1068 V HN 0.250 nan 8.190 nan 0.000 0.447 1069 E N -0.191 119.925 120.200 -0.141 0.000 2.106 1069 E HA -0.183 4.344 4.350 0.295 0.000 0.192 1069 E C 2.264 178.658 176.600 -0.343 0.000 0.984 1069 E CA 1.021 57.263 56.400 -0.264 0.000 0.806 1069 E CB -0.104 29.405 29.700 -0.317 0.000 0.750 1069 E HN 0.554 nan 8.360 nan 0.000 0.458 1070 L N 0.395 121.491 121.223 -0.212 0.000 2.042 1070 L HA -0.203 4.314 4.340 0.295 0.000 0.210 1070 L C 2.619 179.463 176.870 -0.043 0.000 1.076 1070 L CA 1.219 55.986 54.840 -0.121 0.000 0.749 1070 L CB -0.417 41.604 42.059 -0.063 0.000 0.893 1070 L HN 0.238 nan 8.230 nan 0.000 0.432 1071 A N -0.311 122.483 122.820 -0.043 0.000 1.873 1071 A HA -0.287 4.210 4.320 0.295 0.000 0.215 1071 A C 1.953 179.544 177.584 0.011 0.000 1.186 1071 A CA 2.055 54.085 52.037 -0.011 0.000 0.616 1071 A CB -0.669 18.321 19.000 -0.017 0.000 0.823 1071 A HN 0.442 nan 8.150 nan 0.000 0.442 1072 D N -1.173 119.226 120.400 -0.001 0.000 2.123 1072 D HA -0.189 4.628 4.640 0.295 0.000 0.196 1072 D C 1.732 178.112 176.300 0.133 0.000 0.992 1072 D CA 1.676 55.701 54.000 0.043 0.000 0.833 1072 D CB -0.340 40.476 40.800 0.027 0.000 0.954 1072 D HN 0.724 nan 8.370 nan 0.000 0.455 1073 H N -1.173 117.891 119.070 -0.009 0.000 2.387 1073 H HA -0.094 4.639 4.556 0.295 0.000 0.299 1073 H C 1.829 177.151 175.328 -0.010 0.000 1.090 1073 H CA 1.065 57.107 56.048 -0.009 0.000 1.332 1073 H CB 0.227 29.983 29.762 -0.009 0.000 1.386 1073 H HN 0.161 nan 8.280 nan 0.000 0.516 1074 E N 1.344 121.617 120.200 0.121 0.000 2.051 1074 E HA -0.138 4.389 4.350 0.295 0.000 0.192 1074 E C 2.315 178.936 176.600 0.035 0.000 0.991 1074 E CA 1.293 57.728 56.400 0.057 0.000 0.799 1074 E CB -0.243 29.478 29.700 0.036 0.000 0.748 1074 E HN 0.397 nan 8.360 nan 0.000 0.449 1075 A N 0.552 123.393 122.820 0.035 0.000 1.902 1075 A HA -0.154 4.343 4.320 0.295 0.000 0.217 1075 A C 2.259 179.851 177.584 0.013 0.000 1.181 1075 A CA 1.727 53.776 52.037 0.020 0.000 0.623 1075 A CB -0.481 18.530 19.000 0.019 0.000 0.818 1075 A HN 0.231 nan 8.150 nan 0.000 0.443 1076 R N -0.658 119.855 120.500 0.022 0.000 2.115 1076 R HA 0.096 4.613 4.340 0.295 0.000 0.226 1076 R C 1.875 178.165 176.300 -0.018 0.000 1.100 1076 R CA 1.252 57.353 56.100 0.001 0.000 0.980 1076 R CB -0.349 29.953 30.300 0.002 0.000 0.875 1076 R HN 0.573 nan 8.270 nan 0.000 0.445 1077 I N 0.686 121.248 120.570 -0.014 0.000 2.286 1077 I HA -0.248 4.099 4.170 0.295 0.000 0.245 1077 I C 2.077 178.182 176.117 -0.021 0.000 1.104 1077 I CA 1.274 62.560 61.300 -0.024 0.000 1.397 1077 I CB -0.143 37.848 38.000 -0.015 0.000 1.072 1077 I HN 0.097 nan 8.210 nan 0.000 0.417 1078 K N 0.240 120.633 120.400 -0.012 0.000 2.032 1078 K HA -0.275 4.222 4.320 0.295 0.000 0.209 1078 K C 2.197 178.783 176.600 -0.023 0.000 1.048 1078 K CA 1.611 57.889 56.287 -0.014 0.000 0.927 1078 K CB -0.156 32.340 32.500 -0.007 0.000 0.712 1078 K HN 0.103 nan 8.250 nan 0.000 0.441 1079 Q N 1.153 120.939 119.800 -0.023 0.000 2.079 1079 Q HA -0.059 4.458 4.340 0.295 0.000 0.200 1079 Q C 1.845 177.815 176.000 -0.051 0.000 0.974 1079 Q CA 1.357 57.141 55.803 -0.032 0.000 0.840 1079 Q CB -0.173 28.551 28.738 -0.024 0.000 0.898 1079 Q HN 0.275 nan 8.270 nan 0.000 0.430 1080 L N 0.036 121.229 121.223 -0.051 0.000 2.083 1080 L HA -0.173 4.344 4.340 0.295 0.000 0.209 1080 L C 2.478 179.302 176.870 -0.076 0.000 1.083 1080 L CA 1.276 56.075 54.840 -0.068 0.000 0.752 1080 L CB -0.346 41.679 42.059 -0.056 0.000 0.899 1080 L HN 0.180 nan 8.230 nan 0.000 0.433 1081 R N 0.950 121.417 120.500 -0.055 0.000 2.075 1081 R HA -0.126 4.391 4.340 0.295 0.000 0.232 1081 R C 1.974 178.239 176.300 -0.058 0.000 1.126 1081 R CA 1.691 57.762 56.100 -0.049 0.000 0.963 1081 R CB -0.728 29.553 30.300 -0.032 0.000 0.858 1081 R HN 0.285 nan 8.270 nan 0.000 0.435 1082 I N 0.759 121.294 120.570 -0.058 0.000 2.142 1082 I HA -0.271 4.076 4.170 0.295 0.000 0.240 1082 I C 1.501 177.559 176.117 -0.098 0.000 1.078 1082 I CA 1.771 63.036 61.300 -0.058 0.000 1.343 1082 I CB -0.435 37.538 38.000 -0.045 0.000 1.046 1082 I HN 0.178 nan 8.210 nan 0.000 0.405 1083 D N 0.486 120.798 120.400 -0.147 0.000 2.149 1083 D HA -0.142 4.675 4.640 0.295 0.000 0.198 1083 D C 2.307 178.345 176.300 -0.437 0.000 0.990 1083 D CA 1.074 54.897 54.000 -0.295 0.000 0.839 1083 D CB -0.391 40.230 40.800 -0.297 0.000 0.948 1083 D HN 0.140 nan 8.370 nan 0.000 0.460 1084 V N 1.335 121.100 119.914 -0.250 0.000 2.427 1084 V HA -0.181 4.116 4.120 0.295 0.000 0.248 1084 V C 1.719 177.780 176.094 -0.057 0.000 1.051 1084 V CA 1.592 63.801 62.300 -0.152 0.000 1.048 1084 V CB -0.283 31.498 31.823 -0.071 0.000 0.666 1084 V HN 0.070 nan 8.190 nan 0.000 0.456 1085 D N -0.241 120.127 120.400 -0.052 0.000 2.123 1085 D HA -0.155 4.662 4.640 0.295 0.000 0.200 1085 D C 1.905 178.212 176.300 0.012 0.000 0.976 1085 D CA 1.486 55.479 54.000 -0.012 0.000 0.831 1085 D CB -0.309 40.481 40.800 -0.016 0.000 0.974 1085 D HN 0.488 nan 8.370 nan 0.000 0.469 1086 D N -0.188 120.208 120.400 -0.007 0.000 2.123 1086 D HA -0.168 4.649 4.640 0.295 0.000 0.196 1086 D C 1.808 178.194 176.300 0.144 0.000 0.992 1086 D CA 1.255 55.282 54.000 0.044 0.000 0.833 1086 D CB -0.027 40.790 40.800 0.027 0.000 0.954 1086 D HN 0.397 nan 8.370 nan 0.000 0.455 1087 H N -1.223 117.845 119.070 -0.003 0.000 2.389 1087 H HA -0.073 4.660 4.556 0.295 0.000 0.299 1087 H C 1.843 177.169 175.328 -0.003 0.000 1.081 1087 H CA 1.001 57.047 56.048 -0.003 0.000 1.345 1087 H CB 0.187 29.946 29.762 -0.004 0.000 1.393 1087 H HN 0.154 nan 8.280 nan 0.000 0.520 1088 E N 0.979 121.255 120.200 0.126 0.000 2.058 1088 E HA -0.172 4.355 4.350 0.295 0.000 0.194 1088 E C 2.476 179.103 176.600 0.045 0.000 0.997 1088 E CA 1.499 57.937 56.400 0.064 0.000 0.801 1088 E CB -0.301 29.423 29.700 0.040 0.000 0.746 1088 E HN 0.155 nan 8.360 nan 0.000 0.450 1089 S N -0.486 115.241 115.700 0.045 0.000 2.351 1089 S HA -0.183 4.464 4.470 0.295 0.000 0.220 1089 S C 2.040 176.655 174.600 0.026 0.000 1.035 1089 S CA 1.629 59.848 58.200 0.031 0.000 1.031 1089 S CB -0.247 62.971 63.200 0.030 0.000 0.928 1089 S HN 0.316 nan 8.310 nan 0.000 0.433 1090 R N 0.241 120.761 120.500 0.034 0.000 2.120 1090 R HA 0.061 4.577 4.340 0.295 0.000 0.234 1090 R C 2.297 178.595 176.300 -0.004 0.000 1.123 1090 R CA 1.633 57.741 56.100 0.013 0.000 0.975 1090 R CB -0.417 29.891 30.300 0.013 0.000 0.866 1090 R HN 0.484 nan 8.270 nan 0.000 0.446 1091 I N -0.128 120.440 120.570 -0.002 0.000 2.252 1091 I HA -0.237 4.110 4.170 0.295 0.000 0.245 1091 I C 1.918 178.032 176.117 -0.005 0.000 1.102 1091 I CA 1.318 62.611 61.300 -0.013 0.000 1.385 1091 I CB -0.401 37.595 38.000 -0.007 0.000 1.064 1091 I HN 0.150 nan 8.210 nan 0.000 0.414 1092 T N 0.808 115.364 114.554 0.004 0.000 2.833 1092 T HA -0.127 4.400 4.350 0.295 0.000 0.269 1092 T C 2.011 176.712 174.700 0.001 0.000 1.054 1092 T CA 1.367 63.469 62.100 0.003 0.000 1.135 1092 T CB -0.221 68.651 68.868 0.007 0.000 0.869 1092 T HN 0.470 nan 8.240 nan 0.000 0.466 1093 A N 2.354 125.174 122.820 0.001 0.000 1.855 1093 A HA -0.120 4.377 4.320 0.295 0.000 0.215 1093 A C 2.260 179.841 177.584 -0.004 0.000 1.191 1093 A CA 1.452 53.489 52.037 -0.001 0.000 0.613 1093 A CB -0.706 18.294 19.000 0.001 0.000 0.829 1093 A HN 0.360 nan 8.150 nan 0.000 0.442 1094 N N -0.069 118.626 118.700 -0.008 0.000 2.094 1094 N HA -0.120 4.797 4.740 0.295 0.000 0.191 1094 N C 1.697 177.201 175.510 -0.010 0.000 1.023 1094 N CA 1.999 55.042 53.050 -0.012 0.000 0.857 1094 N CB -0.887 37.589 38.487 -0.019 0.000 1.013 1094 N HN 0.496 nan 8.380 nan 0.000 0.426 1095 T N 0.557 115.106 114.554 -0.008 0.000 2.788 1095 T HA -0.074 4.453 4.350 0.295 0.000 0.268 1095 T C 1.907 176.604 174.700 -0.005 0.000 1.044 1095 T CA 1.147 63.243 62.100 -0.007 0.000 1.139 1095 T CB -0.012 68.853 68.868 -0.005 0.000 0.867 1095 T HN 0.134 nan 8.240 nan 0.000 0.454 1096 K N 1.388 121.786 120.400 -0.004 0.000 2.001 1096 K HA 0.150 4.647 4.320 0.295 0.000 0.208 1096 K C 2.416 179.014 176.600 -0.003 0.000 1.048 1096 K CA 1.195 57.481 56.287 -0.003 0.000 0.932 1096 K CB -0.714 31.785 32.500 -0.001 0.000 0.715 1096 K HN 0.249 nan 8.250 nan 0.000 0.437 1097 A N 0.837 123.655 122.820 -0.004 0.000 1.892 1097 A HA -0.208 4.289 4.320 0.295 0.000 0.218 1097 A C 2.211 179.792 177.584 -0.005 0.000 1.188 1097 A CA 1.923 53.958 52.037 -0.004 0.000 0.631 1097 A CB -0.874 18.122 19.000 -0.005 0.000 0.822 1097 A HN 0.301 nan 8.150 nan 0.000 0.447 1098 I N -0.740 119.826 120.570 -0.006 0.000 2.163 1098 I HA -0.254 4.093 4.170 0.295 0.000 0.243 1098 I C 2.647 178.761 176.117 -0.005 0.000 1.085 1098 I CA 1.836 63.132 61.300 -0.006 0.000 1.347 1098 I CB -0.733 37.263 38.000 -0.007 0.000 1.044 1098 I HN 0.271 nan 8.210 nan 0.000 0.408 1099 T N 0.694 115.246 114.554 -0.004 0.000 2.708 1099 T HA -0.180 4.347 4.350 0.295 0.000 0.266 1099 T C 2.067 176.765 174.700 -0.003 0.000 1.037 1099 T CA 1.566 63.664 62.100 -0.003 0.000 1.146 1099 T CB -0.337 68.529 68.868 -0.003 0.000 0.865 1099 T HN 0.495 nan 8.240 nan 0.000 0.435 1100 A N 1.070 123.888 122.820 -0.003 0.000 1.908 1100 A HA -0.032 4.465 4.320 0.295 0.000 0.218 1100 A C 2.321 179.903 177.584 -0.003 0.000 1.181 1100 A CA 1.301 53.336 52.037 -0.002 0.000 0.627 1100 A CB -0.893 18.106 19.000 -0.002 0.000 0.818 1100 A HN 0.483 nan 8.150 nan 0.000 0.445 1101 L N -0.607 120.614 121.223 -0.003 0.000 2.083 1101 L HA -0.213 4.304 4.340 0.295 0.000 0.209 1101 L C 2.542 179.410 176.870 -0.003 0.000 1.083 1101 L CA 1.674 56.512 54.840 -0.003 0.000 0.752 1101 L CB -0.563 41.493 42.059 -0.004 0.000 0.899 1101 L HN 0.647 nan 8.230 nan 0.000 0.433 1102 N N -0.147 118.551 118.700 -0.003 0.000 2.149 1102 N HA -0.191 4.726 4.740 0.295 0.000 0.188 1102 N C 1.901 177.409 175.510 -0.003 0.000 1.019 1102 N CA 1.547 54.595 53.050 -0.003 0.000 0.857 1102 N CB 0.171 38.656 38.487 -0.003 0.000 0.997 1102 N HN 0.264 nan 8.380 nan 0.000 0.426 1103 V N -1.379 118.533 119.914 -0.002 0.000 2.453 1103 V HA -0.068 4.229 4.120 0.295 0.000 0.247 1103 V C 2.181 178.274 176.094 -0.002 0.000 1.048 1103 V CA 1.168 63.467 62.300 -0.002 0.000 1.049 1103 V CB -0.711 31.111 31.823 -0.002 0.000 0.672 1103 V HN 0.209 nan 8.190 nan 0.000 0.457 1104 R N 0.198 120.697 120.500 -0.002 0.000 2.066 1104 R HA -0.004 4.513 4.340 0.295 0.000 0.232 1104 R C 2.402 178.701 176.300 -0.002 0.000 1.131 1104 R CA 1.653 57.752 56.100 -0.002 0.000 0.955 1104 R CB -0.629 29.669 30.300 -0.002 0.000 0.851 1104 R HN 0.486 nan 8.270 nan 0.000 0.432 1105 V N 0.550 120.463 119.914 -0.002 0.000 2.427 1105 V HA -0.230 4.067 4.120 0.295 0.000 0.248 1105 V C 2.024 178.117 176.094 -0.002 0.000 1.051 1105 V CA 2.115 64.413 62.300 -0.002 0.000 1.048 1105 V CB -0.433 31.388 31.823 -0.003 0.000 0.666 1105 V HN 0.450 nan 8.190 nan 0.000 0.456 1106 T N -0.815 113.738 114.554 -0.002 0.000 2.777 1106 T HA -0.186 4.341 4.350 0.295 0.000 0.266 1106 T C 1.963 176.662 174.700 -0.002 0.000 1.040 1106 T CA 2.005 64.104 62.100 -0.002 0.000 1.141 1106 T CB -0.356 68.510 68.868 -0.002 0.000 0.868 1106 T HN 0.503 nan 8.240 nan 0.000 0.444 1107 T N 2.064 116.617 114.554 -0.002 0.000 2.674 1107 T HA -0.053 4.474 4.350 0.295 0.000 0.265 1107 T C 2.430 177.129 174.700 -0.002 0.000 1.039 1107 T CA 1.294 63.393 62.100 -0.002 0.000 1.150 1107 T CB -0.673 68.194 68.868 -0.002 0.000 0.864 1107 T HN 0.427 nan 8.240 nan 0.000 0.427 1108 A N 2.186 125.005 122.820 -0.002 0.000 1.917 1108 A HA -0.228 4.269 4.320 0.295 0.000 0.219 1108 A C 2.155 179.738 177.584 -0.002 0.000 1.182 1108 A CA 2.152 54.187 52.037 -0.002 0.000 0.633 1108 A CB -0.676 18.323 19.000 -0.002 0.000 0.819 1108 A HN 0.816 nan 8.150 nan 0.000 0.448 1109 E N -0.838 119.361 120.200 -0.002 0.000 2.274 1109 E HA 0.013 4.540 4.350 0.295 0.000 0.194 1109 E C 1.791 178.390 176.600 -0.002 0.000 0.996 1109 E CA 0.815 57.214 56.400 -0.002 0.000 0.840 1109 E CB -0.485 29.213 29.700 -0.002 0.000 0.772 1109 E HN 0.453 nan 8.360 nan 0.000 0.491 1110 G N 1.505 110.304 108.800 -0.002 0.000 2.408 1110 G HA2 -0.203 3.934 3.960 0.295 0.000 0.215 1110 G HA3 -0.203 3.934 3.960 0.295 0.000 0.215 1110 G C 1.389 176.288 174.900 -0.002 0.000 1.156 1110 G CA 0.410 45.509 45.100 -0.002 0.000 0.793 1110 G HN 0.229 nan 8.290 nan 0.000 0.535 1111 E N 0.090 120.289 120.200 -0.002 0.000 2.072 1111 E HA -0.017 4.510 4.350 0.295 0.000 0.191 1111 E C 2.467 179.066 176.600 -0.002 0.000 0.985 1111 E CA 0.420 56.819 56.400 -0.002 0.000 0.801 1111 E CB -0.112 29.587 29.700 -0.002 0.000 0.750 1111 E HN 0.425 nan 8.360 nan 0.000 0.452 1112 I N 1.285 121.853 120.570 -0.002 0.000 2.163 1112 I HA -0.302 4.045 4.170 0.295 0.000 0.243 1112 I C 2.563 178.679 176.117 -0.002 0.000 1.085 1112 I CA 1.088 62.387 61.300 -0.002 0.000 1.347 1112 I CB -0.347 37.652 38.000 -0.002 0.000 1.044 1112 I HN 0.096 nan 8.210 nan 0.000 0.408 1113 A N -0.462 122.357 122.820 -0.002 0.000 1.972 1113 A HA -0.239 4.257 4.320 0.295 0.000 0.219 1113 A C 2.476 180.059 177.584 -0.002 0.000 1.169 1113 A CA 2.229 54.265 52.037 -0.002 0.000 0.635 1113 A CB -0.680 18.319 19.000 -0.002 0.000 0.810 1113 A HN 0.422 nan 8.150 nan 0.000 0.446 1114 S N -0.735 114.964 115.700 -0.002 0.000 2.371 1114 S HA -0.021 4.626 4.470 0.295 0.000 0.224 1114 S C 1.899 176.498 174.600 -0.002 0.000 1.029 1114 S CA 1.146 59.345 58.200 -0.002 0.000 0.978 1114 S CB -0.412 62.786 63.200 -0.002 0.000 0.833 1114 S HN 0.499 nan 8.310 nan 0.000 0.466 1115 L N 1.077 122.299 121.223 -0.002 0.000 2.093 1115 L HA -0.100 4.417 4.340 0.295 0.000 0.208 1115 L C 2.791 179.660 176.870 -0.002 0.000 1.085 1115 L CA 1.246 56.085 54.840 -0.002 0.000 0.755 1115 L CB -0.458 41.600 42.059 -0.002 0.000 0.904 1115 L HN 0.402 nan 8.230 nan 0.000 0.435 1116 Q N -1.044 118.755 119.800 -0.002 0.000 2.170 1116 Q HA -0.169 4.348 4.340 0.295 0.000 0.203 1116 Q C 2.110 178.109 176.000 -0.002 0.000 0.976 1116 Q CA 1.830 57.632 55.803 -0.002 0.000 0.858 1116 Q CB -0.181 28.556 28.738 -0.002 0.000 0.907 1116 Q HN 0.456 nan 8.270 nan 0.000 0.433 1117 T N 0.954 115.507 114.554 -0.002 0.000 2.809 1117 T HA -0.057 4.470 4.350 0.295 0.000 0.260 1117 T C 1.531 176.230 174.700 -0.002 0.000 1.039 1117 T CA 0.952 63.050 62.100 -0.002 0.000 1.141 1117 T CB -0.119 68.748 68.868 -0.002 0.000 0.869 1117 T HN 0.243 nan 8.240 nan 0.000 0.437 1118 N N 1.199 119.897 118.700 -0.002 0.000 2.084 1118 N HA -0.069 4.848 4.740 0.295 0.000 0.190 1118 N C 1.990 177.498 175.510 -0.002 0.000 1.030 1118 N CA 0.829 53.877 53.050 -0.002 0.000 0.849 1118 N CB -0.808 37.678 38.487 -0.002 0.000 1.012 1118 N HN 0.182 nan 8.380 nan 0.000 0.423 1119 V N 0.779 120.692 119.914 -0.002 0.000 2.407 1119 V HA -0.190 4.107 4.120 0.295 0.000 0.248 1119 V C 2.572 178.665 176.094 -0.002 0.000 1.055 1119 V CA 1.763 64.062 62.300 -0.002 0.000 1.049 1119 V CB -0.712 31.110 31.823 -0.002 0.000 0.662 1119 V HN 0.346 nan 8.190 nan 0.000 0.455 1120 S N -0.100 115.599 115.700 -0.002 0.000 2.356 1120 S HA -0.189 4.458 4.470 0.295 0.000 0.223 1120 S C 2.150 176.749 174.600 -0.002 0.000 1.032 1120 S CA 1.687 59.886 58.200 -0.002 0.000 1.005 1120 S CB -0.342 62.857 63.200 -0.002 0.000 0.867 1120 S HN 0.616 nan 8.310 nan 0.000 0.449 1121 A N 0.975 123.794 122.820 -0.002 0.000 1.933 1121 A HA 0.042 4.538 4.320 0.295 0.000 0.218 1121 A C 2.112 179.695 177.584 -0.003 0.000 1.175 1121 A CA 1.407 53.443 52.037 -0.002 0.000 0.628 1121 A CB -0.806 18.193 19.000 -0.002 0.000 0.814 1121 A HN 0.521 nan 8.150 nan 0.000 0.444 1122 L N 0.335 121.556 121.223 -0.003 0.000 2.083 1122 L HA -0.165 4.352 4.340 0.295 0.000 0.209 1122 L C 2.169 179.037 176.870 -0.004 0.000 1.083 1122 L CA 2.253 57.091 54.840 -0.003 0.000 0.752 1122 L CB -0.575 41.482 42.059 -0.003 0.000 0.899 1122 L HN 0.532 nan 8.230 nan 0.000 0.433 1123 D N -0.972 119.426 120.400 -0.003 0.000 2.117 1123 D HA -0.168 4.648 4.640 0.295 0.000 0.197 1123 D C 2.024 178.322 176.300 -0.003 0.000 0.987 1123 D CA 1.356 55.354 54.000 -0.003 0.000 0.829 1123 D CB 0.018 40.817 40.800 -0.003 0.000 0.961 1123 D HN 0.390 nan 8.370 nan 0.000 0.460 1124 G N 0.592 109.390 108.800 -0.003 0.000 2.421 1124 G HA2 -0.260 3.877 3.960 0.295 0.000 0.216 1124 G HA3 -0.260 3.877 3.960 0.295 0.000 0.216 1124 G C 1.917 176.815 174.900 -0.003 0.000 1.171 1124 G CA 0.599 45.698 45.100 -0.003 0.000 0.775 1124 G HN 0.292 nan 8.290 nan 0.000 0.543 1125 R N -0.363 120.135 120.500 -0.004 0.000 2.115 1125 R HA 0.043 4.560 4.340 0.295 0.000 0.230 1125 R C 2.589 178.886 176.300 -0.005 0.000 1.111 1125 R CA 0.842 56.940 56.100 -0.004 0.000 0.976 1125 R CB -0.405 29.892 30.300 -0.004 0.000 0.870 1125 R HN 0.290 nan 8.270 nan 0.000 0.445 1126 V N 0.414 120.325 119.914 -0.005 0.000 2.453 1126 V HA -0.203 4.094 4.120 0.295 0.000 0.247 1126 V C 2.032 178.122 176.094 -0.006 0.000 1.048 1126 V CA 2.018 64.314 62.300 -0.006 0.000 1.049 1126 V CB -0.327 31.493 31.823 -0.006 0.000 0.672 1126 V HN 0.389 nan 8.190 nan 0.000 0.457 1127 T N -0.441 114.110 114.554 -0.005 0.000 2.708 1127 T HA -0.206 4.321 4.350 0.295 0.000 0.266 1127 T C 1.962 176.660 174.700 -0.004 0.000 1.037 1127 T CA 2.172 64.269 62.100 -0.004 0.000 1.146 1127 T CB -0.408 68.458 68.868 -0.003 0.000 0.865 1127 T HN 0.516 nan 8.240 nan 0.000 0.435 1128 T N 1.949 116.501 114.554 -0.004 0.000 2.720 1128 T HA -0.048 4.479 4.350 0.295 0.000 0.268 1128 T C 2.369 177.065 174.700 -0.006 0.000 1.037 1128 T CA 1.179 63.276 62.100 -0.004 0.000 1.144 1128 T CB -0.543 68.323 68.868 -0.004 0.000 0.864 1128 T HN 0.438 nan 8.240 nan 0.000 0.444 1129 A N 1.727 124.542 122.820 -0.008 0.000 1.877 1129 A HA -0.147 4.350 4.320 0.295 0.000 0.216 1129 A C 2.175 179.752 177.584 -0.012 0.000 1.186 1129 A CA 1.673 53.703 52.037 -0.011 0.000 0.620 1129 A CB -0.603 18.390 19.000 -0.012 0.000 0.822 1129 A HN 0.582 nan 8.150 nan 0.000 0.443 1130 E N -0.078 120.115 120.200 -0.011 0.000 2.160 1130 E HA -0.208 4.319 4.350 0.295 0.000 0.195 1130 E C 1.786 178.380 176.600 -0.009 0.000 0.991 1130 E CA 1.398 57.791 56.400 -0.011 0.000 0.810 1130 E CB -0.324 29.371 29.700 -0.008 0.000 0.742 1130 E HN 0.761 nan 8.360 nan 0.000 0.466 1131 N N 0.399 119.095 118.700 -0.006 0.000 2.250 1131 N HA -0.068 4.849 4.740 0.295 0.000 0.181 1131 N C 1.651 177.158 175.510 -0.004 0.000 1.017 1131 N CA 0.385 53.433 53.050 -0.004 0.000 0.866 1131 N CB 0.068 38.554 38.487 -0.002 0.000 0.985 1131 N HN 0.081 nan 8.380 nan 0.000 0.429 1132 N N 1.331 120.027 118.700 -0.007 0.000 2.188 1132 N HA -0.047 4.870 4.740 0.295 0.000 0.184 1132 N C 1.717 177.218 175.510 -0.015 0.000 1.018 1132 N CA 0.725 53.770 53.050 -0.008 0.000 0.858 1132 N CB -0.088 38.393 38.487 -0.010 0.000 0.989 1132 N HN 0.295 nan 8.380 nan 0.000 0.426 1133 I N 0.979 121.536 120.570 -0.021 0.000 2.252 1133 I HA -0.234 4.113 4.170 0.295 0.000 0.245 1133 I C 2.276 178.376 176.117 -0.028 0.000 1.102 1133 I CA 1.056 62.335 61.300 -0.034 0.000 1.385 1133 I CB -0.288 37.691 38.000 -0.036 0.000 1.064 1133 I HN 0.152 nan 8.210 nan 0.000 0.414 1134 S N 1.151 116.843 115.700 -0.013 0.000 2.423 1134 S HA -0.067 4.580 4.470 0.295 0.000 0.231 1134 S C 2.161 176.767 174.600 0.010 0.000 1.014 1134 S CA 0.743 58.942 58.200 -0.001 0.000 0.965 1134 S CB -0.415 62.787 63.200 0.002 0.000 0.785 1134 S HN 0.395 nan 8.310 nan 0.000 0.495 1135 A N 2.035 124.859 122.820 0.008 0.000 1.898 1135 A HA 0.216 4.713 4.320 0.295 0.000 0.216 1135 A C 2.283 179.886 177.584 0.032 0.000 1.181 1135 A CA 1.147 53.195 52.037 0.018 0.000 0.620 1135 A CB -0.786 18.222 19.000 0.013 0.000 0.819 1135 A HN 0.507 nan 8.150 nan 0.000 0.442 1136 L N -0.707 120.524 121.223 0.013 0.000 1.994 1136 L HA -0.263 4.254 4.340 0.295 0.000 0.208 1136 L C 2.932 179.836 176.870 0.056 0.000 1.071 1136 L CA 1.674 56.523 54.840 0.015 0.000 0.745 1136 L CB -0.663 41.363 42.059 -0.056 0.000 0.892 1136 L HN 0.474 nan 8.230 nan 0.000 0.431 1137 Q N -0.356 119.446 119.800 0.004 0.000 2.112 1137 Q HA -0.253 4.264 4.340 0.295 0.000 0.206 1137 Q C 2.285 178.415 176.000 0.216 0.000 0.987 1137 Q CA 1.821 57.666 55.803 0.072 0.000 0.858 1137 Q CB -0.328 28.423 28.738 0.023 0.000 0.905 1137 Q HN 0.592 nan 8.270 nan 0.000 0.420 1138 A N 0.451 123.347 122.820 0.126 0.000 2.016 1138 A HA -0.137 4.360 4.320 0.295 0.000 0.217 1138 A C 1.518 179.166 177.584 0.106 0.000 1.162 1138 A CA 1.470 53.568 52.037 0.102 0.000 0.662 1138 A CB 0.040 19.074 19.000 0.057 0.000 0.812 1138 A HN 0.240 nan 8.150 nan 0.000 0.450 1139 D N -2.071 118.410 120.400 0.135 0.000 2.389 1139 D HA 0.091 4.908 4.640 0.295 0.000 0.206 1139 D C 0.337 176.723 176.300 0.143 0.000 1.055 1139 D CA -0.187 53.878 54.000 0.108 0.000 0.856 1139 D CB 0.004 40.850 40.800 0.078 0.000 0.957 1139 D HN 0.470 nan 8.370 nan 0.000 0.509 1140 Y N -0.220 120.082 120.300 0.004 0.000 2.301 1140 Y HA 0.514 5.241 4.550 0.295 0.000 0.328 1140 Y C -0.414 175.489 175.900 0.005 0.000 1.242 1140 Y CA -1.523 56.579 58.100 0.004 0.000 1.323 1140 Y CB 0.455 38.917 38.460 0.003 0.000 1.266 1140 Y HN -0.323 nan 8.280 nan 0.000 0.527 1141 V N 4.744 124.509 119.914 -0.248 0.000 2.385 1141 V HA 0.252 4.549 4.120 0.295 0.000 0.269 1141 V C 0.270 176.092 176.094 -0.452 0.000 1.043 1141 V CA -0.247 61.859 62.300 -0.324 0.000 0.906 1141 V CB 0.345 32.102 31.823 -0.111 0.000 0.995 1141 V HN 0.937 nan 8.190 nan 0.000 0.467 1142 S N 5.049 120.391 115.700 -0.596 0.000 2.554 1142 S HA 0.355 5.002 4.470 0.295 0.000 0.278 1142 S C 0.730 175.264 174.600 -0.110 0.000 1.242 1142 S CA -0.653 57.335 58.200 -0.353 0.000 1.051 1142 S CB 1.140 64.130 63.200 -0.350 0.000 0.986 1142 S HN 0.705 nan 8.310 nan 0.000 0.502 1143 K N 2.085 122.480 120.400 -0.009 0.000 2.418 1143 K HA 0.017 4.514 4.320 0.295 0.000 0.195 1143 K C 1.416 178.017 176.600 0.003 0.000 1.035 1143 K CA 0.635 56.924 56.287 0.003 0.000 1.003 1143 K CB -0.094 32.423 32.500 0.027 0.000 0.793 1143 K HN 0.691 nan 8.250 nan 0.000 0.494 1144 T N 0.168 114.726 114.554 0.007 0.000 3.000 1144 T HA 0.219 4.746 4.350 0.295 0.000 0.248 1144 T C 0.563 175.260 174.700 -0.005 0.000 1.034 1144 T CA -0.040 62.066 62.100 0.010 0.000 1.060 1144 T CB 0.098 68.984 68.868 0.030 0.000 0.983 1144 T HN 0.195 nan 8.240 nan 0.000 0.482 1145 A N 1.337 124.142 122.820 -0.025 0.000 2.561 1145 A HA 0.349 4.846 4.320 0.295 0.000 0.234 1145 A C 1.617 179.184 177.584 -0.028 0.000 1.055 1145 A CA 0.766 52.782 52.037 -0.034 0.000 0.756 1145 A CB 0.077 19.033 19.000 -0.074 0.000 0.986 1145 A HN 0.606 nan 8.150 nan 0.000 0.505 1146 T N -0.550 113.991 114.554 -0.020 0.000 3.046 1146 T HA 0.089 4.616 4.350 0.295 0.000 0.242 1146 T C 0.954 175.642 174.700 -0.019 0.000 1.018 1146 T CA 0.950 63.040 62.100 -0.016 0.000 1.131 1146 T CB -0.699 68.164 68.868 -0.009 0.000 0.904 1146 T HN 0.595 nan 8.240 nan 0.000 0.459 1147 T N 3.573 118.114 114.554 -0.020 0.000 2.937 1147 T HA 0.249 4.776 4.350 0.295 0.000 0.316 1147 T C 0.377 175.062 174.700 -0.026 0.000 1.079 1147 T CA -0.014 62.074 62.100 -0.020 0.000 1.131 1147 T CB 0.717 69.574 68.868 -0.019 0.000 1.000 1147 T HN 0.468 nan 8.240 nan 0.000 0.549 1148 S N 2.019 117.705 115.700 -0.023 0.000 2.552 1148 S HA 0.025 4.672 4.470 0.295 0.000 0.289 1148 S C -0.101 174.480 174.600 -0.032 0.000 1.304 1148 S CA -0.186 57.999 58.200 -0.025 0.000 1.063 1148 S CB 0.044 63.232 63.200 -0.020 0.000 0.848 1148 S HN 0.564 nan 8.310 nan 0.000 0.499 1149 Q N 2.442 122.221 119.800 -0.036 0.000 2.312 1149 Q HA 0.484 5.001 4.340 0.295 0.000 0.263 1149 Q C -0.845 175.136 176.000 -0.032 0.000 0.995 1149 Q CA -0.573 55.203 55.803 -0.045 0.000 0.853 1149 Q CB 1.942 30.641 28.738 -0.065 0.000 1.300 1149 Q HN 0.600 nan 8.270 nan 0.000 0.448 1150 S N 2.392 118.075 115.700 -0.029 0.000 2.482 1150 S HA 0.632 5.279 4.470 0.295 0.000 0.303 1150 S C -1.249 173.342 174.600 -0.016 0.000 1.091 1150 S CA -0.581 57.607 58.200 -0.020 0.000 1.057 1150 S CB 0.576 63.766 63.200 -0.017 0.000 1.031 1150 S HN 0.398 nan 8.310 nan 0.000 0.485 1151 L N 3.887 125.104 121.223 -0.010 0.000 2.317 1151 L HA 0.650 5.167 4.340 0.295 0.000 0.281 1151 L C 0.973 177.842 176.870 -0.001 0.000 1.024 1151 L CA -0.144 54.694 54.840 -0.003 0.000 0.810 1151 L CB 1.444 43.506 42.059 0.004 0.000 1.240 1151 L HN 0.866 nan 8.230 nan 0.000 0.427 1152 A N 1.292 124.113 122.820 0.001 0.000 2.251 1152 A HA 0.304 4.801 4.320 0.295 0.000 0.209 1152 A C 0.786 178.372 177.584 0.004 0.000 1.187 1152 A CA 0.624 52.662 52.037 0.002 0.000 0.823 1152 A CB -0.363 18.639 19.000 0.003 0.000 0.846 1152 A HN 0.668 nan 8.150 nan 0.000 0.486 1153 S N -0.886 114.818 115.700 0.007 0.000 2.671 1153 S HA 0.768 5.415 4.470 0.295 0.000 0.299 1153 S C -3.200 171.408 174.600 0.013 0.000 1.116 1153 S CA -1.374 56.832 58.200 0.010 0.000 0.912 1153 S CB 1.018 64.226 63.200 0.013 0.000 1.130 1153 S HN -0.007 nan 8.310 nan 0.000 0.501 1154 P HA 0.420 nan 4.420 nan 0.000 0.274 1154 P C -1.212 176.110 177.300 0.036 0.000 1.246 1154 P CA -0.718 62.394 63.100 0.020 0.000 0.795 1154 P CB 0.411 32.122 31.700 0.019 0.000 1.006 1155 L N 1.915 123.171 121.223 0.056 0.000 2.346 1155 L HA 0.479 4.996 4.340 0.295 0.000 0.274 1155 L C -0.495 176.459 176.870 0.140 0.000 1.007 1155 L CA -0.629 54.269 54.840 0.096 0.000 0.818 1155 L CB 1.571 43.710 42.059 0.134 0.000 1.284 1155 L HN 0.481 nan 8.230 nan 0.000 0.424 1156 N N 3.093 121.860 118.700 0.112 0.000 2.295 1156 N HA 0.559 5.476 4.740 0.295 0.000 0.293 1156 N C -1.993 173.532 175.510 0.025 0.000 1.040 1156 N CA -0.406 52.700 53.050 0.094 0.000 0.840 1156 N CB 2.794 41.311 38.487 0.050 0.000 1.468 1156 N HN 0.363 nan 8.380 nan 0.000 0.478 1157 V N 1.354 121.234 119.914 -0.056 0.000 3.141 1157 V HA 0.597 4.894 4.120 0.295 0.000 0.312 1157 V C -0.463 175.527 176.094 -0.172 0.000 1.157 1157 V CA -0.370 61.802 62.300 -0.214 0.000 1.041 1157 V CB 2.271 33.725 31.823 -0.615 0.000 1.071 1157 V HN 0.847 nan 8.190 nan 0.000 0.441 1158 T N -0.884 113.573 114.554 -0.161 0.000 2.855 1158 T HA 0.515 5.042 4.350 0.295 0.000 0.281 1158 T C 0.463 175.092 174.700 -0.117 0.000 1.007 1158 T CA 0.690 62.728 62.100 -0.104 0.000 1.009 1158 T CB 1.432 70.262 68.868 -0.064 0.000 0.983 1158 T HN 1.162 nan 8.240 nan 0.000 0.455 1159 T N 1.146 115.655 114.554 -0.077 0.000 10.732 1159 T HA -0.234 4.293 4.350 0.295 0.000 0.396 1159 T C 0.433 175.095 174.700 -0.064 0.000 1.605 1159 T CA 2.541 64.606 62.100 -0.058 0.000 2.571 1159 T CB -2.044 66.793 68.868 -0.051 0.000 2.779 1159 T HN 2.298 nan 8.240 nan 0.000 1.025 1160 S N -1.528 114.091 115.700 -0.135 0.000 2.719 1160 S HA 0.513 5.160 4.470 0.295 0.000 0.272 1160 S C -1.930 172.537 174.600 -0.222 0.000 0.964 1160 S CA -1.281 56.859 58.200 -0.101 0.000 0.944 1160 S CB 0.567 63.756 63.200 -0.018 0.000 1.199 1160 S HN 0.330 nan 8.310 nan 0.000 0.461 1161 Y N 0.480 120.774 120.300 -0.010 0.000 2.429 1161 Y HA 0.817 5.539 4.550 0.287 0.000 0.342 1161 Y C 0.626 176.518 175.900 -0.014 0.000 1.004 1161 Y CA -0.235 57.857 58.100 -0.013 0.000 1.075 1161 Y CB 2.611 41.061 38.460 -0.018 0.000 1.214 1161 Y HN 0.925 nan 8.280 nan 0.000 0.455 1162 S N 1.045 116.828 115.700 0.137 0.000 2.661 1162 S HA 0.723 5.370 4.470 0.295 0.000 0.285 1162 S C -1.601 173.037 174.600 0.062 0.000 1.138 1162 S CA -0.857 57.387 58.200 0.074 0.000 0.855 1162 S CB 2.221 65.444 63.200 0.037 0.000 1.136 1162 S HN 0.488 nan 8.310 nan 0.000 0.484 1163 V N 0.408 120.343 119.914 0.035 0.000 2.624 1163 V HA 0.665 4.962 4.120 0.295 0.000 0.294 1163 V C 0.183 176.285 176.094 0.013 0.000 1.077 1163 V CA 0.675 62.988 62.300 0.022 0.000 0.905 1163 V CB 0.346 32.176 31.823 0.012 0.000 1.025 1163 V HN 1.616 nan 8.190 nan 0.000 0.440 1164 G N 4.111 112.918 108.800 0.011 0.000 2.137 1164 G HA2 0.143 4.280 3.960 0.295 0.000 0.237 1164 G HA3 0.143 4.280 3.960 0.295 0.000 0.237 1164 G C 1.645 176.549 174.900 0.007 0.000 1.002 1164 G CA 0.904 46.008 45.100 0.007 0.000 0.702 1164 G HN 2.657 nan 8.290 nan 0.000 0.515 1165 G N -1.256 107.549 108.800 0.010 0.000 2.225 1165 G HA2 -0.269 3.868 3.960 0.295 0.000 0.254 1165 G HA3 -0.269 3.868 3.960 0.295 0.000 0.254 1165 G C 0.353 175.258 174.900 0.009 0.000 0.988 1165 G CA 1.126 46.230 45.100 0.008 0.000 0.625 1165 G HN 1.104 nan 8.290 nan 0.000 0.527 1166 K N 0.956 121.363 120.400 0.011 0.000 2.211 1166 K HA 0.447 4.944 4.320 0.295 0.000 0.275 1166 K C 0.388 176.999 176.600 0.018 0.000 1.024 1166 K CA -0.667 55.627 56.287 0.011 0.000 0.887 1166 K CB 1.706 34.211 32.500 0.009 0.000 1.084 1166 K HN 0.246 nan 8.250 nan 0.000 0.463 1167 K N 1.798 122.209 120.400 0.018 0.000 2.485 1167 K HA -0.013 4.483 4.320 0.295 0.000 0.277 1167 K C 0.153 176.770 176.600 0.028 0.000 0.990 1167 K CA 0.098 56.401 56.287 0.027 0.000 0.994 1167 K CB 0.663 33.177 32.500 0.022 0.000 0.906 1167 K HN 0.387 nan 8.250 nan 0.000 0.488 1168 V N 3.621 123.560 119.914 0.042 0.000 3.245 1168 V HA 0.129 4.426 4.120 0.295 0.000 0.246 1168 V C -1.044 175.065 176.094 0.026 0.000 1.487 1168 V CA -0.001 62.314 62.300 0.025 0.000 1.154 1168 V CB 1.547 33.378 31.823 0.013 0.000 0.971 1168 V HN 0.529 nan 8.190 nan 0.000 0.443 1169 V N 0.322 120.279 119.914 0.071 0.000 2.623 1169 V HA 0.865 5.162 4.120 0.295 0.000 0.304 1169 V C 0.364 176.538 176.094 0.133 0.000 1.054 1169 V CA 0.244 62.594 62.300 0.083 0.000 0.882 1169 V CB 1.197 33.059 31.823 0.064 0.000 1.002 1169 V HN 0.313 nan 8.190 nan 0.000 0.424 1170 G N 2.317 111.169 108.800 0.086 0.000 3.212 1170 G HA2 0.795 4.932 3.960 0.295 0.000 0.188 1170 G HA3 0.795 4.932 3.960 0.295 0.000 0.188 1170 G C -0.142 174.801 174.900 0.071 0.000 1.254 1170 G CA -0.154 44.990 45.100 0.073 0.000 0.957 1170 G HN 1.041 nan 8.290 nan 0.000 0.596 1171 A N -0.371 122.478 122.820 0.048 0.000 2.425 1171 A HA 0.519 5.016 4.320 0.295 0.000 0.242 1171 A C 0.887 178.498 177.584 0.045 0.000 1.077 1171 A CA -0.285 51.779 52.037 0.045 0.000 0.781 1171 A CB 0.094 19.114 19.000 0.035 0.000 1.020 1171 A HN 0.683 nan 8.150 nan 0.000 0.494 1172 R N 1.589 122.113 120.500 0.041 0.000 2.502 1172 R HA 0.004 4.521 4.340 0.295 0.000 0.292 1172 R C -0.462 175.868 176.300 0.050 0.000 0.998 1172 R CA 0.038 56.157 56.100 0.032 0.000 1.056 1172 R CB 0.250 30.565 30.300 0.025 0.000 0.939 1172 R HN 0.710 nan 8.270 nan 0.000 0.411 1173 Q N 3.100 122.934 119.800 0.056 0.000 2.286 1173 Q HA 0.050 4.567 4.340 0.295 0.000 0.267 1173 Q C 0.154 176.266 176.000 0.186 0.000 1.028 1173 Q CA 0.349 56.230 55.803 0.130 0.000 0.901 1173 Q CB 1.383 30.230 28.738 0.181 0.000 1.183 1173 Q HN 0.747 nan 8.270 nan 0.000 0.392 1174 T N -2.520 112.152 114.554 0.197 0.000 2.889 1174 T HA 0.679 5.206 4.350 0.295 0.000 0.278 1174 T C 0.875 175.724 174.700 0.248 0.000 0.995 1174 T CA -0.178 62.046 62.100 0.207 0.000 0.966 1174 T CB 1.613 70.549 68.868 0.113 0.000 1.237 1174 T HN 0.740 nan 8.240 nan 0.000 0.591 1175 G N -0.863 108.042 108.800 0.175 0.000 2.132 1175 G HA2 -0.184 3.953 3.960 0.295 0.000 0.234 1175 G HA3 -0.184 3.953 3.960 0.295 0.000 0.234 1175 G C -0.377 174.545 174.900 0.037 0.000 0.989 1175 G CA -0.285 44.860 45.100 0.075 0.000 0.676 1175 G HN 0.712 nan 8.290 nan 0.000 0.522 1176 W N 0.697 122.000 121.300 0.005 0.000 2.417 1176 W HA 0.652 5.316 4.660 0.008 0.000 0.317 1176 W C 0.586 177.108 176.519 0.003 0.000 1.121 1176 W CA -0.255 57.093 57.345 0.004 0.000 1.208 1176 W CB 1.370 30.833 29.460 0.005 0.000 1.253 1176 W HN 0.048 nan 8.180 nan 0.000 0.533 1177 T N 2.793 117.471 114.554 0.207 0.000 2.837 1177 T HA 0.569 5.096 4.350 0.295 0.000 0.285 1177 T C 0.084 174.897 174.700 0.188 0.000 0.984 1177 T CA -0.554 61.629 62.100 0.139 0.000 1.049 1177 T CB 1.023 69.929 68.868 0.063 0.000 0.947 1177 T HN 0.498 nan 8.240 nan 0.000 0.472 1178 A N 2.465 125.365 122.820 0.133 0.000 2.450 1178 A HA 0.634 5.131 4.320 0.295 0.000 0.255 1178 A C 0.693 178.332 177.584 0.091 0.000 1.096 1178 A CA -0.675 51.429 52.037 0.110 0.000 0.778 1178 A CB -0.149 18.889 19.000 0.062 0.000 1.031 1178 A HN 1.044 nan 8.150 nan 0.000 0.494 1179 A N 2.847 125.725 122.820 0.096 0.000 2.401 1179 A HA 0.575 5.072 4.320 0.295 0.000 0.259 1179 A C 0.887 178.498 177.584 0.045 0.000 1.103 1179 A CA 0.390 52.471 52.037 0.073 0.000 0.789 1179 A CB -0.212 18.837 19.000 0.081 0.000 1.035 1179 A HN 1.429 nan 8.150 nan 0.000 0.491 1180 T N -0.286 114.290 114.554 0.036 0.000 2.948 1180 T HA 0.852 5.379 4.350 0.295 0.000 0.285 1180 T C 0.464 175.177 174.700 0.022 0.000 1.019 1180 T CA 0.078 62.193 62.100 0.025 0.000 1.013 1180 T CB 1.396 70.278 68.868 0.022 0.000 1.117 1180 T HN 2.584 nan 8.240 nan 0.000 0.533 1181 G N 0.715 109.525 108.800 0.017 0.000 2.498 1181 G HA2 0.221 4.358 3.960 0.295 0.000 0.651 1181 G HA3 0.221 4.358 3.960 0.295 0.000 0.651 1181 G C -0.281 174.627 174.900 0.014 0.000 1.284 1181 G CA -0.474 44.635 45.100 0.016 0.000 0.950 1181 G HN 1.586 nan 8.290 nan 0.000 0.511 1182 T N -0.748 113.815 114.554 0.015 0.000 2.794 1182 T HA 0.717 5.244 4.350 0.295 0.000 0.296 1182 T C 0.621 175.329 174.700 0.013 0.000 0.949 1182 T CA 0.689 62.797 62.100 0.013 0.000 1.101 1182 T CB 1.513 70.391 68.868 0.016 0.000 0.905 1182 T HN 2.133 nan 8.240 nan 0.000 0.516 1183 A N 3.227 126.050 122.820 0.006 0.000 2.363 1183 A HA 0.543 5.040 4.320 0.295 0.000 0.270 1183 A C 0.292 177.878 177.584 0.003 0.000 1.121 1183 A CA -0.858 51.179 52.037 -0.001 0.000 0.800 1183 A CB 0.009 19.002 19.000 -0.012 0.000 1.052 1183 A HN 0.892 nan 8.150 nan 0.000 0.493 1184 N N 0.850 119.550 118.700 0.001 0.000 2.518 1184 N HA 0.327 5.244 4.740 0.295 0.000 0.254 1184 N C -0.109 175.394 175.510 -0.012 0.000 0.979 1184 N CA -0.409 52.649 53.050 0.014 0.000 0.930 1184 N CB 0.710 39.227 38.487 0.050 0.000 1.152 1184 N HN 0.535 nan 8.380 nan 0.000 0.505 1185 K N 1.550 121.946 120.400 -0.006 0.000 2.455 1185 K HA 0.284 4.781 4.320 0.295 0.000 0.206 1185 K C 0.835 177.441 176.600 0.010 0.000 1.027 1185 K CA -0.636 55.640 56.287 -0.018 0.000 1.113 1185 K CB 1.118 33.605 32.500 -0.022 0.000 0.850 1185 K HN 0.480 nan 8.250 nan 0.000 0.503 1186 G N 1.064 109.887 108.800 0.039 0.000 2.508 1186 G HA2 0.145 4.282 3.960 0.295 0.000 0.278 1186 G HA3 0.145 4.282 3.960 0.295 0.000 0.278 1186 G C -0.313 174.645 174.900 0.096 0.000 1.389 1186 G CA -0.554 44.580 45.100 0.057 0.000 1.050 1186 G HN 0.045 nan 8.290 nan 0.000 0.522 1187 V N -0.209 119.761 119.914 0.093 0.000 2.694 1187 V HA 0.403 4.700 4.120 0.295 0.000 0.306 1187 V C -0.354 175.860 176.094 0.200 0.000 1.054 1187 V CA 0.232 62.599 62.300 0.112 0.000 1.161 1187 V CB 0.144 32.004 31.823 0.061 0.000 0.916 1187 V HN 0.471 nan 8.190 nan 0.000 0.490 1188 F N 4.882 124.836 119.950 0.007 0.000 2.782 1188 F HA 0.737 5.443 4.527 0.300 0.000 0.366 1188 F C -0.426 175.376 175.800 0.004 0.000 1.171 1188 F CA -0.772 57.235 58.000 0.011 0.000 1.064 1188 F CB 2.102 41.111 39.000 0.015 0.000 1.449 1188 F HN 0.533 nan 8.300 nan 0.000 0.520 1189 D N 0.536 120.671 120.400 -0.441 0.000 2.484 1189 D HA 0.242 5.058 4.640 0.295 0.000 0.223 1189 D C 0.109 176.205 176.300 -0.340 0.000 1.350 1189 D CA 0.359 54.206 54.000 -0.255 0.000 0.940 1189 D CB 0.624 41.289 40.800 -0.225 0.000 1.525 1189 D HN 0.701 nan 8.370 nan 0.000 0.504 1190 A N 2.931 125.715 122.820 -0.060 0.000 1.997 1190 A HA -0.137 4.360 4.320 0.295 0.000 0.221 1190 A C 0.639 178.201 177.584 -0.037 0.000 1.172 1190 A CA 1.905 53.965 52.037 0.038 0.000 0.645 1190 A CB -0.307 18.783 19.000 0.150 0.000 0.813 1190 A HN 0.535 nan 8.150 nan 0.000 0.454 1191 D N -0.028 120.327 120.400 -0.075 0.000 2.460 1191 D HA 0.412 5.229 4.640 0.295 0.000 0.268 1191 D C -0.539 175.660 176.300 -0.168 0.000 1.153 1191 D CA -0.539 53.406 54.000 -0.091 0.000 0.929 1191 D CB 0.680 41.449 40.800 -0.052 0.000 1.015 1191 D HN 0.155 nan 8.370 nan 0.000 0.502 1192 L N 0.122 121.183 121.223 -0.271 0.000 2.417 1192 L HA 0.524 5.041 4.340 0.295 0.000 0.259 1192 L C 0.122 176.571 176.870 -0.701 0.000 1.023 1192 L CA -0.941 53.657 54.840 -0.403 0.000 0.901 1192 L CB -0.356 41.458 42.059 -0.408 0.000 1.227 1192 L HN 0.211 nan 8.230 nan 0.000 0.454 1193 T N -0.271 113.998 114.554 -0.475 0.000 2.785 1193 T HA 0.317 4.844 4.350 0.295 0.000 0.341 1193 T C -0.139 174.124 174.700 -0.728 0.000 1.093 1193 T CA 0.554 62.391 62.100 -0.439 0.000 1.103 1193 T CB 0.072 68.825 68.868 -0.193 0.000 1.011 1193 T HN 0.362 nan 8.240 nan 0.000 0.549 1194 F N 0.262 120.190 119.950 -0.037 0.000 2.610 1194 F HA 0.554 5.257 4.527 0.294 0.000 0.355 1194 F C 0.550 176.328 175.800 -0.037 0.000 1.140 1194 F CA -1.220 56.757 58.000 -0.039 0.000 1.037 1194 F CB 1.016 39.994 39.000 -0.037 0.000 1.287 1194 F HN 0.912 nan 8.300 nan 0.000 0.457 1195 A N 3.398 126.269 122.820 0.084 0.000 2.484 1195 A HA 0.488 4.985 4.320 0.295 0.000 0.268 1195 A C 0.603 178.214 177.584 0.045 0.000 1.114 1195 A CA -0.236 51.826 52.037 0.041 0.000 0.780 1195 A CB -0.066 18.939 19.000 0.007 0.000 1.061 1195 A HN 0.610 nan 8.150 nan 0.000 0.505 1196 V N 2.927 122.858 119.914 0.029 0.000 3.426 1196 V HA 0.049 4.346 4.120 0.295 0.000 0.136 1196 V C 1.908 177.981 176.094 -0.036 0.000 0.973 1196 V CA 1.287 63.586 62.300 -0.003 0.000 1.351 1196 V CB -0.277 31.545 31.823 -0.001 0.000 0.996 1196 V HN 1.149 nan 8.190 nan 0.000 0.373 1197 S N -1.391 114.282 115.700 -0.045 0.000 3.375 1197 S HA 0.354 5.001 4.470 0.295 0.000 0.178 1197 S C 0.717 175.304 174.600 -0.021 0.000 0.868 1197 S CA 0.754 58.920 58.200 -0.058 0.000 1.129 1197 S CB 1.014 64.154 63.200 -0.098 0.000 1.035 1197 S HN 0.771 nan 8.310 nan 0.000 0.840 1198 D N -0.650 119.747 120.400 -0.005 0.000 2.100 1198 D HA -0.083 4.734 4.640 0.295 0.000 0.762 1198 D C 0.415 176.734 176.300 0.032 0.000 0.361 1198 D CA 1.590 55.597 54.000 0.012 0.000 1.030 1198 D CB -0.959 39.847 40.800 0.010 0.000 2.257 1198 D HN 0.691 nan 8.370 nan 0.000 0.340 1199 T N -1.974 112.610 114.554 0.051 0.000 3.407 1199 T HA 0.241 4.768 4.350 0.295 0.000 0.308 1199 T C 0.943 175.750 174.700 0.178 0.000 0.919 1199 T CA 0.639 62.791 62.100 0.086 0.000 0.960 1199 T CB 0.203 69.111 68.868 0.067 0.000 1.193 1199 T HN 0.393 nan 8.240 nan 0.000 0.568 1200 Y N 1.123 121.425 120.300 0.003 0.000 3.707 1200 Y HA -0.349 4.378 4.550 0.295 0.000 0.395 1200 Y C 0.767 176.669 175.900 0.004 0.000 1.233 1200 Y CA 1.885 59.987 58.100 0.003 0.000 2.151 1200 Y CB -1.711 36.750 38.460 0.001 0.000 0.880 1200 Y HN 0.745 nan 8.280 nan 0.000 0.464 1201 T N 1.270 115.920 114.554 0.161 0.000 2.898 1201 T HA 0.288 4.814 4.350 0.295 0.000 0.331 1201 T C 0.497 175.180 174.700 -0.029 0.000 1.085 1201 T CA 1.617 63.777 62.100 0.100 0.000 1.129 1201 T CB -0.157 nan 68.868 nan 0.000 1.054 1201 T HN 0.718 nan 8.240 nan 0.000 0.540 1202 Q N 0.709 120.499 119.800 -0.017 0.000 2.408 1202 Q HA -0.123 4.394 4.340 0.295 0.000 0.284 1202 Q C 1.300 177.234 176.000 -0.110 0.000 1.345 1202 Q CA 1.293 57.066 55.803 -0.051 0.000 0.713 1202 Q CB -2.029 26.676 28.738 -0.055 0.000 1.122 1202 Q HN 1.206 nan 8.270 nan 0.000 0.394 1203 S N 0.735 116.392 115.700 -0.073 0.000 2.093 1203 S HA -0.313 4.334 4.470 0.295 0.000 0.478 1203 S C 0.458 174.980 174.600 -0.130 0.000 0.965 1203 S CA 2.025 60.177 58.200 -0.081 0.000 2.887 1203 S CB -0.150 63.065 63.200 0.025 0.000 2.067 1203 S HN 0.632 nan 8.310 nan 0.000 0.521 1204 E N 1.530 121.696 120.200 -0.056 0.000 0.833 1204 E HA -0.167 4.360 4.350 0.295 0.000 0.226 1204 E C 0.318 176.877 176.600 -0.068 0.000 0.613 1204 E CA 1.061 57.435 56.400 -0.042 0.000 0.673 1204 E CB -1.377 28.311 29.700 -0.020 0.000 0.966 1204 E HN 0.620 nan 8.360 nan 0.000 0.262 1205 I N -0.722 119.798 120.570 -0.082 0.000 4.147 1205 I HA 0.037 4.384 4.170 0.295 0.000 0.329 1205 I C 1.511 177.595 176.117 -0.056 0.000 1.424 1205 I CA -0.177 61.064 61.300 -0.097 0.000 1.127 1205 I CB 0.253 38.165 38.000 -0.145 0.000 1.128 1205 I HN 0.274 nan 8.210 nan 0.000 0.417 1206 Q N 1.694 121.478 119.800 -0.028 0.000 2.291 1206 Q HA -0.146 4.371 4.340 0.295 0.000 0.206 1206 Q C 1.941 177.944 176.000 0.006 0.000 0.976 1206 Q CA 1.735 57.534 55.803 -0.006 0.000 0.875 1206 Q CB 0.119 28.860 28.738 0.005 0.000 0.927 1206 Q HN 0.724 nan 8.270 nan 0.000 0.450 1207 A N 0.585 123.420 122.820 0.025 0.000 1.872 1207 A HA -0.126 4.371 4.320 0.295 0.000 0.214 1207 A C 1.864 179.467 177.584 0.032 0.000 1.187 1207 A CA 1.067 53.164 52.037 0.101 0.000 0.614 1207 A CB -0.393 18.722 19.000 0.191 0.000 0.826 1207 A HN 0.370 nan 8.150 nan 0.000 0.442 1208 I N 0.358 120.844 120.570 -0.141 0.000 2.226 1208 I HA -0.218 4.129 4.170 0.295 0.000 0.245 1208 I C 2.857 178.828 176.117 -0.244 0.000 1.100 1208 I CA 1.446 62.496 61.300 -0.416 0.000 1.374 1208 I CB -0.574 37.217 38.000 -0.348 0.000 1.057 1208 I HN 0.303 nan 8.210 nan 0.000 0.413 1209 A N -0.162 122.587 122.820 -0.118 0.000 1.898 1209 A HA -0.221 4.276 4.320 0.295 0.000 0.216 1209 A C 2.212 179.778 177.584 -0.029 0.000 1.181 1209 A CA 2.065 54.064 52.037 -0.064 0.000 0.620 1209 A CB -1.085 17.895 19.000 -0.033 0.000 0.819 1209 A HN 0.512 nan 8.150 nan 0.000 0.442 1210 N N -0.433 118.263 118.700 -0.006 0.000 2.223 1210 N HA -0.048 4.869 4.740 0.295 0.000 0.185 1210 N C 1.610 177.149 175.510 0.048 0.000 1.016 1210 N CA 0.848 53.914 53.050 0.027 0.000 0.863 1210 N CB -0.134 38.377 38.487 0.040 0.000 0.983 1210 N HN 0.469 nan 8.380 nan 0.000 0.429 1211 A N 0.121 122.970 122.820 0.048 0.000 2.178 1211 A HA 0.077 4.574 4.320 0.295 0.000 0.211 1211 A C 1.892 179.508 177.584 0.053 0.000 1.157 1211 A CA 0.180 52.275 52.037 0.097 0.000 0.780 1211 A CB -0.149 19.009 19.000 0.263 0.000 0.828 1211 A HN 0.311 nan 8.150 nan 0.000 0.476 1212 L N -0.766 120.451 121.223 -0.010 0.000 2.162 1212 L HA 0.008 4.525 4.340 0.295 0.000 0.205 1212 L C 2.169 179.065 176.870 0.043 0.000 1.086 1212 L CA 1.023 55.863 54.840 -0.001 0.000 0.778 1212 L CB -0.188 41.847 42.059 -0.040 0.000 0.928 1212 L HN 0.388 nan 8.230 nan 0.000 0.446 1213 I N -0.404 120.191 120.570 0.042 0.000 2.202 1213 I HA -0.291 4.056 4.170 0.295 0.000 0.242 1213 I C 2.387 178.555 176.117 0.085 0.000 1.091 1213 I CA 1.605 62.936 61.300 0.052 0.000 1.368 1213 I CB -0.376 37.649 38.000 0.041 0.000 1.058 1213 I HN 0.185 nan 8.210 nan 0.000 0.410 1214 T N -0.133 114.490 114.554 0.115 0.000 2.720 1214 T HA -0.249 4.277 4.350 0.295 0.000 0.268 1214 T C 1.727 176.577 174.700 0.251 0.000 1.037 1214 T CA 1.853 64.060 62.100 0.179 0.000 1.144 1214 T CB -0.249 68.741 68.868 0.203 0.000 0.864 1214 T HN 0.354 nan 8.240 nan 0.000 0.444 1215 E N 2.173 122.535 120.200 0.270 0.000 2.012 1215 E HA -0.196 4.331 4.350 0.295 0.000 0.197 1215 E C 2.222 178.895 176.600 0.121 0.000 1.007 1215 E CA 1.490 58.056 56.400 0.276 0.000 0.816 1215 E CB -0.298 29.544 29.700 0.237 0.000 0.762 1215 E HN 0.566 nan 8.360 nan 0.000 0.451 1216 R N 0.070 120.624 120.500 0.090 0.000 2.341 1216 R HA -0.017 4.500 4.340 0.295 0.000 0.213 1216 R C 2.129 178.456 176.300 0.044 0.000 1.082 1216 R CA 1.123 57.257 56.100 0.057 0.000 1.017 1216 R CB -0.286 30.043 30.300 0.048 0.000 0.860 1216 R HN 0.118 nan 8.270 nan 0.000 0.473 1217 R N 0.470 121.001 120.500 0.051 0.000 2.156 1217 R HA 0.125 4.642 4.340 0.295 0.000 0.207 1217 R C 2.160 178.462 176.300 0.003 0.000 1.040 1217 R CA 0.367 56.487 56.100 0.035 0.000 1.013 1217 R CB 0.033 30.363 30.300 0.050 0.000 0.931 1217 R HN 0.153 nan 8.270 nan 0.000 0.465 1218 R N -0.129 120.356 120.500 -0.025 0.000 2.193 1218 R HA -0.004 4.512 4.340 0.295 0.000 0.213 1218 R C 1.342 177.576 176.300 -0.109 0.000 1.055 1218 R CA 1.172 57.196 56.100 -0.127 0.000 0.995 1218 R CB 0.198 30.282 30.300 -0.359 0.000 0.893 1218 R HN 0.067 nan 8.270 nan 0.000 0.459 1219 T N 0.823 115.345 114.554 -0.054 0.000 2.857 1219 T HA -0.086 4.441 4.350 0.295 0.000 0.266 1219 T C 1.631 176.328 174.700 -0.004 0.000 1.048 1219 T CA 0.820 62.908 62.100 -0.020 0.000 1.139 1219 T CB -0.004 68.878 68.868 0.023 0.000 0.874 1219 T HN 0.099 nan 8.240 nan 0.000 0.455 1220 K N 1.493 121.895 120.400 0.004 0.000 2.097 1220 K HA 0.048 4.545 4.320 0.295 0.000 0.205 1220 K C 2.404 178.995 176.600 -0.015 0.000 1.050 1220 K CA 1.323 57.615 56.287 0.010 0.000 0.938 1220 K CB -0.446 32.063 32.500 0.016 0.000 0.718 1220 K HN 0.308 nan 8.250 nan 0.000 0.442 1221 A N 1.132 123.933 122.820 -0.031 0.000 1.873 1221 A HA -0.128 4.369 4.320 0.295 0.000 0.215 1221 A C 2.315 179.867 177.584 -0.053 0.000 1.186 1221 A CA 1.506 53.518 52.037 -0.042 0.000 0.616 1221 A CB -0.417 18.552 19.000 -0.051 0.000 0.823 1221 A HN 0.328 nan 8.150 nan 0.000 0.442 1222 M N -1.048 118.515 119.600 -0.062 0.000 2.117 1222 M HA -0.186 4.471 4.480 0.295 0.000 0.262 1222 M C 2.204 178.459 176.300 -0.075 0.000 1.065 1222 M CA 1.979 57.240 55.300 -0.065 0.000 1.114 1222 M CB -0.219 32.340 32.600 -0.068 0.000 1.361 1222 M HN 0.656 nan 8.290 nan 0.000 0.408 1223 E N 0.273 120.429 120.200 -0.073 0.000 2.077 1223 E HA -0.242 4.285 4.350 0.295 0.000 0.193 1223 E C 1.342 177.871 176.600 -0.118 0.000 0.989 1223 E CA 1.625 57.953 56.400 -0.120 0.000 0.800 1223 E CB 0.084 29.753 29.700 -0.053 0.000 0.746 1223 E HN 0.420 nan 8.360 nan 0.000 0.452 1224 D N 0.254 120.611 120.400 -0.072 0.000 2.104 1224 D HA -0.182 4.635 4.640 0.295 0.000 0.194 1224 D C 1.814 178.066 176.300 -0.080 0.000 0.994 1224 D CA 1.488 55.448 54.000 -0.067 0.000 0.830 1224 D CB -0.463 40.307 40.800 -0.050 0.000 0.959 1224 D HN 0.305 nan 8.370 nan 0.000 0.452 1225 A N 0.739 123.518 122.820 -0.068 0.000 1.865 1225 A HA -0.172 4.325 4.320 0.295 0.000 0.217 1225 A C 2.426 180.006 177.584 -0.006 0.000 1.191 1225 A CA 1.222 53.231 52.037 -0.046 0.000 0.623 1225 A CB -0.906 18.086 19.000 -0.013 0.000 0.826 1225 A HN 0.231 nan 8.150 nan 0.000 0.444 1226 L N -1.250 119.945 121.223 -0.047 0.000 2.012 1226 L HA -0.194 4.323 4.340 0.295 0.000 0.210 1226 L C 2.831 179.646 176.870 -0.091 0.000 1.073 1226 L CA 1.947 56.744 54.840 -0.072 0.000 0.748 1226 L CB -0.540 41.398 42.059 -0.203 0.000 0.891 1226 L HN 0.484 nan 8.230 nan 0.000 0.431 1227 R N 0.325 120.739 120.500 -0.143 0.000 2.148 1227 R HA -0.124 4.393 4.340 0.295 0.000 0.227 1227 R C 2.227 178.477 176.300 -0.082 0.000 1.103 1227 R CA 1.125 57.149 56.100 -0.126 0.000 0.983 1227 R CB -0.087 30.139 30.300 -0.124 0.000 0.874 1227 R HN 0.346 nan 8.270 nan 0.000 0.451 1228 A N 0.072 122.836 122.820 -0.094 0.000 1.929 1228 A HA -0.121 4.376 4.320 0.295 0.000 0.216 1228 A C 1.738 179.236 177.584 -0.143 0.000 1.176 1228 A CA 1.038 52.997 52.037 -0.131 0.000 0.628 1228 A CB -0.584 18.304 19.000 -0.187 0.000 0.816 1228 A HN 0.380 nan 8.150 nan 0.000 0.444 1229 H N -1.274 117.750 119.070 -0.077 0.000 2.357 1229 H HA 0.052 4.783 4.556 0.291 0.000 0.301 1229 H C 1.870 177.157 175.328 -0.068 0.000 1.082 1229 H CA 1.626 57.630 56.048 -0.073 0.000 1.342 1229 H CB 0.068 29.780 29.762 -0.083 0.000 1.389 1229 H HN 0.626 nan 8.280 nan 0.000 0.511 1230 G N -0.481 108.346 108.800 0.046 0.000 2.205 1230 G HA2 -0.199 3.938 3.960 0.295 0.000 0.180 1230 G HA3 -0.199 3.938 3.960 0.295 0.000 0.180 1230 G C 1.302 176.190 174.900 -0.020 0.000 1.004 1230 G CA 0.341 45.442 45.100 0.002 0.000 0.670 1230 G HN 0.318 nan 8.290 nan 0.000 0.496 1231 L N 0.701 121.904 121.223 -0.033 0.000 2.191 1231 L HA 0.194 4.711 4.340 0.295 0.000 0.212 1231 L C 1.660 178.464 176.870 -0.109 0.000 1.103 1231 L CA 1.622 56.423 54.840 -0.065 0.000 0.769 1231 L CB -0.359 41.648 42.059 -0.088 0.000 0.908 1231 L HN 0.627 nan 8.230 nan 0.000 0.438 1232 I N -3.838 116.619 120.570 -0.190 0.000 2.785 1232 I HA 0.368 4.715 4.170 0.295 0.000 0.302 1232 I C -0.182 175.826 176.117 -0.182 0.000 1.069 1232 I CA -1.361 59.757 61.300 -0.304 0.000 1.045 1232 I CB 1.367 38.872 38.000 -0.825 0.000 1.236 1232 I HN 0.006 nan 8.210 nan 0.000 0.429 1233 D N 0.000 120.357 120.400 -0.071 0.000 6.856 1233 D HA 0.000 4.817 4.640 0.295 0.000 0.175 1233 D CA 0.000 54.014 54.000 0.024 0.000 0.868 1233 D CB 0.000 40.875 40.800 0.124 0.000 0.688 1233 D HN 0.000 nan 8.370 nan 0.000 0.683