data_5vr1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5vr1 _Structure_validation_residue.Date_analyzed 2018-01-09 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 75.109999999999999 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.81 0.338 . . . . 75.530000000000001 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 75.510000000000005 111.158 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.120000000000005 110.865 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.400000000000006 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.420000000000002 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.853 0.359 . . . . 73.319999999999993 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.127 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.010000000000005 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.893 0.377 . . . . 65.040000000000006 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 75.439999999999998 110.856 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 71.129999999999995 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.5 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 70.209999999999994 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.299999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 110.847 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.945 0.403 . . . . 74.439999999999998 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.79 0.329 . . . . 63.310000000000002 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.010000000000005 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 75.109999999999999 111.156 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.230000000000004 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 64.340000000000003 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.814 0.34 . . . . 73.340000000000003 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 75.340000000000003 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 71.230000000000004 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 73.299999999999997 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 62.539999999999999 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.383 . . . . 75.120000000000005 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.861 0.362 . . . . 73.129999999999995 111.082 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 72.519999999999996 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 72.150000000000006 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.913 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 72.549999999999997 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 63.130000000000003 110.864 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.838 0.351 . . . . 73.409999999999997 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.219999999999999 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 61.530000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 71.200000000000003 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.846 0.355 . . . . 74.239999999999995 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 111.123 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.129999999999995 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.439999999999998 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.129999999999995 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 74.319999999999993 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 74.430000000000007 110.923 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 61.530000000000001 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.450000000000003 111.12 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.030000000000001 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 62.530000000000001 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 74.540000000000006 111.063 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.310000000000002 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 72.329999999999998 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 111.172 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 75.420000000000002 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.430000000000007 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.894 0.378 . . . . 63.43 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.844 0.354 . . . . 74.450000000000003 111.093 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 72.019999999999996 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.836 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 70.030000000000001 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 71.409999999999997 110.894 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.818 0.342 . . . . 61.340000000000003 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 73.310000000000002 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.863 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.844 0.354 . . . . 73.129999999999995 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.852 0.358 . . . . 73.200000000000003 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 72.510000000000005 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 63.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 42.399999999999999 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 73.549999999999997 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 71.430000000000007 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 74.540000000000006 110.868 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 72.120000000000005 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.851 0.358 . . . . 75.230000000000004 111.109 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 75.209999999999994 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 71.420000000000002 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.858 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 51.439999999999998 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.898 0.38 . . . . 73.439999999999998 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 42.43 110.897 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.821 0.343 . . . . 65.420000000000002 111.091 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 63.32 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 71.109999999999999 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.406 HH21 ' NH1' ' A' ' 13' ' ' ARG . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 52.549999999999997 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 73.400000000000006 110.873 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.809 0.338 . . . . 74.209999999999994 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 73.109999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 62.200000000000003 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 111.153 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 74.540000000000006 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 64.510000000000005 110.87 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.430000000000007 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.827 0.346 . . . . 72.219999999999999 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 111.127 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.540000000000006 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 63.439999999999998 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 74.310000000000002 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 62.530000000000001 110.875 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.839 0.352 . . . . 72.329999999999998 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 74.450000000000003 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 73.099999999999994 110.866 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 71.430000000000007 110.881 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.807 0.337 . . . . 72.140000000000001 111.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 55.310000000000002 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.140000000000001 111.119 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 74.450000000000003 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.95 -175.31 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 110.893 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.72 91.08 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.535 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -94.38 167.18 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.403 1.097 . . . . 61.109999999999999 110.832 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.535 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.4 -43.46 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.244 -0.889 . . . . 75.530000000000001 111.106 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 75.510000000000005 111.158 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.120000000000005 110.865 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.400000000000006 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.42 116.82 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 43.130000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 73.230000000000004 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.66 -175.18 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 110.895 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -128.63 90.37 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -100.99 163.79 12.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.412 1.101 . . . . 71.450000000000003 110.879 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.541 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.58 -43.65 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.23 -0.896 . . . . 73.319999999999993 111.106 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.127 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -56.62 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.010000000000005 110.86 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 61.399999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.912 0.386 . . . . 63.310000000000002 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.85 -175.27 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 65.040000000000006 110.885 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t -128.74 91.04 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 75.439999999999998 110.856 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -93.22 166.95 12.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.358 1.075 . . . . 62.009999999999998 110.884 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.532 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.97 -43.44 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.198 -0.91 . . . . 71.129999999999995 111.051 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.5 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 70.209999999999994 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.299999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 144.9 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 110.847 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 55.32 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 71.329999999999998 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.89 -175.32 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -128.76 90.71 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.37 164.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.368 1.08 . . . . 73.010000000000005 110.888 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.542 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.12 -43.61 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.299 -0.864 . . . . 63.310000000000002 111.1 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.010000000000005 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 75.109999999999999 111.156 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.230000000000004 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.42 144.28 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 63.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.347 . . . . 73.430000000000007 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.88 -175.31 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.85 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.79 90.73 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.63 164.33 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.386 1.088 . . . . 73.5 110.883 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.531 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.45 -43.63 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.25 -0.887 . . . . 73.340000000000003 111.087 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 75.340000000000003 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 71.230000000000004 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 73.299999999999997 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -57.29 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 62.539999999999999 110.848 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 73.439999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.362 . . . . 74.409999999999997 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.06 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.91 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.55 90.4 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -98.31 163.95 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.362 1.077 . . . . 75.129999999999995 110.868 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.527 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.56 -43.66 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.291 -0.868 . . . . 73.129999999999995 111.082 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 72.519999999999996 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 72.150000000000006 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.54 130.87 48.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 71.030000000000001 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.69 -175.08 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.549999999999997 110.853 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.45 90.14 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 63.130000000000003 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -100.3 163.87 12.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.362 1.077 . . . . 63.32 110.917 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.545 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 -43.65 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.282 -0.872 . . . . 73.409999999999997 111.103 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.219999999999999 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 61.530000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.39 115.77 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 71.200000000000003 110.857 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 61.240000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.86 0.362 . . . . 73.310000000000002 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.82 -175.26 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 110.919 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t -128.74 90.73 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.37 164.27 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.303 1.049 . . . . 73.109999999999999 110.903 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.519 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.62 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 74.239999999999995 111.113 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 111.123 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.129999999999995 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.439999999999998 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.129999999999995 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 136.24 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 65.420000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.872 0.368 . . . . 75.109999999999999 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.7 -175.25 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t -128.55 90.62 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 74.430000000000007 110.923 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.533 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.91 164.11 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.355 1.074 . . . . 62.439999999999998 110.877 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.533 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.42 -43.56 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 61.530000000000001 111.114 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.450000000000003 111.12 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.030000000000001 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.66 118.39 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 42.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 73.219999999999999 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.23 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.530000000000001 110.895 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.55 90.65 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.533 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.83 164.22 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.401 1.096 . . . . 74.340000000000003 110.855 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.533 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.49 -43.61 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.88 . . . . 74.540000000000006 111.063 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.310000000000002 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 72.329999999999998 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 111.172 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 75.420000000000002 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.71 157.9 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.430000000000007 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 70.400000000000006 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 70.439999999999998 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 -175.22 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -128.53 90.6 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.529 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.81 164.08 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.353 1.073 . . . . 73.200000000000003 110.866 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.529 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.32 -43.6 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.24 -0.891 . . . . 74.450000000000003 111.093 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 72.019999999999996 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.836 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -61.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 25.32 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.871 0.367 . . . . 74.329999999999998 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.8 -175.17 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 70.030000000000001 110.915 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -128.56 90.64 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 71.409999999999997 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.539 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.32 164.24 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.385 1.088 . . . . 71.519999999999996 110.881 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.539 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.49 -43.59 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.256 -0.883 . . . . 61.340000000000003 111.118 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 73.310000000000002 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.863 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 153.08 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 75.109999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 62.219999999999999 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -175.0 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.76 90.75 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -92.99 167.28 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.38 1.086 . . . . 73.430000000000007 110.887 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.531 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.4 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.25 -0.886 . . . . 73.200000000000003 111.131 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 72.510000000000005 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.01 118.63 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 63.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 41.310000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 74.109999999999999 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -162.98 -175.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 42.399999999999999 110.9 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t -128.78 91.11 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -93.22 167.17 11.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.359 1.076 . . . . 62.43 110.882 178.581 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.537 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.68 -43.34 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.254 -0.884 . . . . 73.549999999999997 111.127 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 71.430000000000007 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 74.540000000000006 110.868 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.49 117.81 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 75.519999999999996 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.14 -175.02 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 72.120000000000005 110.925 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.39 90.05 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.534 ' HA ' HD23 ' A' ' 6' ' ' HYP . 2.0 m -99.82 163.76 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.332 1.063 . . . . 62.240000000000002 110.883 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.534 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.59 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.266 -0.879 . . . . 75.230000000000004 111.109 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 75.209999999999994 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 71.420000000000002 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.858 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.45 92.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 51.439999999999998 110.872 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 63.009999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 72.439999999999998 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.45 -175.02 4.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.88 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.6 90.12 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 42.43 110.897 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.536 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.91 164.61 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.378 1.085 . . . . 71.540000000000006 110.855 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.536 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.96 -43.77 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.204 -0.907 . . . . 65.420000000000002 111.091 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 63.32 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 71.109999999999999 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH21 ' NH1' ' A' ' 13' ' ' ARG . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.01 148.24 21.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.350000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 73.450000000000003 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.42 -175.02 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 52.549999999999997 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -128.71 90.07 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 73.400000000000006 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.5 m -98.12 164.57 12.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.363 1.078 . . . . 71.120000000000005 110.851 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.525 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.95 -43.67 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.244 -0.889 . . . . 74.209999999999994 111.122 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 73.109999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 62.200000000000003 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 111.153 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 74.540000000000006 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -53.62 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 64.510000000000005 110.87 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 54.329999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 75.230000000000004 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.19 -174.83 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.87 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -128.22 90.01 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -97.19 163.62 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.381 1.086 . . . . 64.120000000000005 110.88 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.526 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.32 -43.56 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.253 -0.885 . . . . 72.219999999999999 111.109 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 111.127 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.540000000000006 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 63.439999999999998 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m -45.64 110.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 14.4 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 74.109999999999999 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.4 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.849 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.08 90.59 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 62.530000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.4 m -96.77 164.77 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.384 1.088 . . . . 71.109999999999999 110.848 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.477 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -43.65 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.256 -0.884 . . . . 72.329999999999998 111.109 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 74.450000000000003 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 42.049999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 65.219999999999999 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.39 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.866 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t -129.03 90.5 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 71.430000000000007 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.4 m -96.96 164.74 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.359 1.076 . . . . 72.310000000000002 110.909 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.543 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.2 -43.7 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.301 -0.863 . . . . 72.140000000000001 111.052 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 55.310000000000002 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.140000000000001 111.119 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.63 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 75.109999999999999 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.81 0.338 . . . . 74.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' VAL . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.158 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.865 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 62.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 61.340000000000003 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.420000000000002 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.853 0.359 . . . . 51.329999999999998 111.106 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.409999999999997 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.893 0.377 . . . . 65.040000000000006 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 74.299999999999997 110.856 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 71.129999999999995 111.051 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 54.219999999999999 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 65.010000000000005 110.876 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.549999999999997 110.847 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.945 0.403 . . . . 74.439999999999998 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.79 0.329 . . . . 63.310000000000002 111.1 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 64.040000000000006 111.156 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.558 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.109999999999999 110.876 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 53.030000000000001 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 64.340000000000003 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.814 0.34 . . . . 73.340000000000003 111.087 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 52.039999999999999 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.349999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 44.030000000000001 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 42.030000000000001 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 41.310000000000002 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.383 . . . . 64.319999999999993 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.861 0.362 . . . . 31.329999999999998 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 52.450000000000003 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 53.509999999999998 110.895 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.530000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 64.140000000000001 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 61.439999999999998 110.864 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.838 0.351 . . . . 73.409999999999997 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.049999999999997 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 25.23 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.846 0.355 . . . . 64.230000000000004 111.113 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 110.871 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 74.319999999999993 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 64.319999999999993 110.923 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 61.530000000000001 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 64.420000000000002 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.209999999999994 111.12 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.439999999999998 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 60.229999999999997 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 62.409999999999997 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 74.540000000000006 111.063 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.219999999999999 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 70.319999999999993 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.172 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 53.210000000000001 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.894 0.378 . . . . 63.43 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.844 0.354 . . . . 74.450000000000003 111.093 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 32.25 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 63.329999999999998 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.836 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 55.450000000000003 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 70.030000000000001 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 64.439999999999998 110.894 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.818 0.342 . . . . 50.530000000000001 111.118 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 70.519999999999996 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.863 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 62.109999999999999 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.844 0.354 . . . . 73.129999999999995 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 111.131 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 53.520000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 62.310000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 42.399999999999999 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 73.549999999999997 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.510000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 63.329999999999998 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 10' ' ' VAL . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 52.520000000000003 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 72.120000000000005 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.851 0.358 . . . . 64.200000000000003 111.109 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 51.420000000000002 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 70.319999999999993 111.134 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 33.409999999999997 110.858 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 50.530000000000001 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.898 0.38 . . . . 73.439999999999998 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 41.030000000000001 110.897 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.821 0.343 . . . . 65.420000000000002 111.091 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 40.399999999999999 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 42.549999999999997 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 53.020000000000003 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.409999999999997 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 52.020000000000003 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 65.510000000000005 110.873 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.809 0.338 . . . . 62.310000000000002 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 42.219999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 61.439999999999998 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 111.153 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 65.340000000000003 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 64.519999999999996 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 63.149999999999999 110.87 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.430000000000007 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.827 0.346 . . . . 72.219999999999999 111.109 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 111.127 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 60.450000000000003 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.140000000000001 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.319999999999993 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 74.310000000000002 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 50.409999999999997 110.875 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.839 0.352 . . . . 51.409999999999997 111.109 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.439999999999998 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 60.049999999999997 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 73.099999999999994 110.866 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 70.510000000000005 110.881 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.807 0.337 . . . . 72.140000000000001 111.052 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 41.340000000000003 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.5 111.119 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.150000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 74.450000000000003 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.95 -175.31 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 110.893 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.72 91.08 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.535 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -94.38 167.18 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.403 1.097 . . . . 61.109999999999999 110.832 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.535 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -85.4 -43.46 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.244 -0.889 . . . . 74.439999999999998 111.106 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' VAL . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.158 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.865 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 62.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 61.340000000000003 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.42 116.82 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 43.130000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 73.230000000000004 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.66 -175.18 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 110.895 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -128.63 90.37 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -100.99 163.79 12.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.412 1.101 . . . . 71.450000000000003 110.879 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.553 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.58 -43.65 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.23 -0.896 . . . . 51.329999999999998 111.106 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -56.62 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.409999999999997 110.86 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 33.119999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.912 0.386 . . . . 63.310000000000002 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.85 -175.27 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 65.040000000000006 110.885 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t -128.74 91.04 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 74.299999999999997 110.856 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -93.22 166.95 12.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.358 1.075 . . . . 62.009999999999998 110.884 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.532 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -84.97 -43.44 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.198 -0.91 . . . . 71.129999999999995 111.051 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 54.219999999999999 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 65.010000000000005 110.876 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 144.9 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.549999999999997 110.847 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 44.020000000000003 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 71.329999999999998 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.89 -175.32 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -128.76 90.71 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.37 164.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.368 1.08 . . . . 73.010000000000005 110.888 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.554 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.12 -43.61 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.299 -0.864 . . . . 63.310000000000002 111.1 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 64.040000000000006 111.156 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.558 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.109999999999999 110.876 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 53.030000000000001 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.42 144.28 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 34.409999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.347 . . . . 73.430000000000007 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.88 -175.31 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.85 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.79 90.73 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.63 164.33 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.386 1.088 . . . . 73.430000000000007 110.883 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.541 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.45 -43.63 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.25 -0.887 . . . . 73.340000000000003 111.087 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 52.039999999999999 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.349999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 44.030000000000001 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 42.030000000000001 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -57.29 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 41.310000000000002 110.848 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 73.439999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.362 . . . . 74.25 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.06 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.91 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.55 90.4 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -98.31 163.95 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.362 1.077 . . . . 70.109999999999999 110.868 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.56 -43.66 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.291 -0.868 . . . . 31.329999999999998 111.082 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 52.450000000000003 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 53.509999999999998 110.895 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.54 130.87 48.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.530000000000001 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 71.030000000000001 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.69 -175.08 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.853 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.45 90.14 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 61.439999999999998 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.8 m -100.3 163.87 12.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.362 1.077 . . . . 63.32 110.917 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.461 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.94 -43.65 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.282 -0.872 . . . . 73.409999999999997 111.103 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.049999999999997 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.39 115.77 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 25.23 110.857 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 3.4100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.86 0.362 . . . . 73.310000000000002 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.82 -175.26 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 110.919 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t -128.74 90.73 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.37 164.27 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.303 1.049 . . . . 73.109999999999999 110.903 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.527 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.65 -43.62 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 64.230000000000004 111.113 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 110.871 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 136.24 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 44.340000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.872 0.368 . . . . 55.109999999999999 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.7 -175.25 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t -128.55 90.62 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 64.319999999999993 110.923 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.91 164.11 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.355 1.074 . . . . 62.439999999999998 110.877 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.544 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.42 -43.56 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 61.530000000000001 111.114 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 64.420000000000002 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.209999999999994 111.12 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.439999999999998 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 60.229999999999997 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.66 118.39 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 2.1000000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 73.219999999999999 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.23 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.895 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.55 90.65 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.83 164.22 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.401 1.096 . . . . 74.340000000000003 110.855 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.543 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.49 -43.61 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.88 . . . . 74.540000000000006 111.063 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.219999999999999 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 70.319999999999993 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.172 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.71 157.9 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 53.210000000000001 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 70.439999999999998 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 -175.22 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -128.53 90.6 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.81 164.08 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.353 1.073 . . . . 73.200000000000003 110.866 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.32 -43.6 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.24 -0.891 . . . . 74.450000000000003 111.093 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 32.25 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 63.329999999999998 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.836 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 55.450000000000003 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -61.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 25.32 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.871 0.367 . . . . 74.329999999999998 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.8 -175.17 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 70.030000000000001 110.915 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -128.56 90.64 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 64.439999999999998 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.32 164.24 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.385 1.088 . . . . 71.519999999999996 110.881 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.551 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.49 -43.59 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.256 -0.883 . . . . 50.530000000000001 111.118 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 70.519999999999996 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.863 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 62.109999999999999 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 153.08 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 12.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 61.100000000000001 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -175.0 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.76 90.75 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -92.99 167.28 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.38 1.086 . . . . 70.049999999999997 110.887 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.531 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -69.74 -43.4 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.25 -0.886 . . . . 71.329999999999998 111.131 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 53.520000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.01 118.63 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 62.310000000000002 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 74.109999999999999 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -162.98 -175.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 42.399999999999999 110.9 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t -128.78 91.11 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -93.22 167.17 11.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.359 1.076 . . . . 55.240000000000002 110.882 178.581 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.537 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -85.68 -43.34 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.254 -0.884 . . . . 73.549999999999997 111.127 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.510000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 63.329999999999998 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 10' ' ' VAL . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 52.520000000000003 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.49 117.81 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 75.519999999999996 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.14 -175.02 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 72.120000000000005 110.925 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.39 90.05 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' HD23 ' A' ' 6' ' ' HYP . 2.0 m -99.82 163.76 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.332 1.063 . . . . 44.219999999999999 110.883 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.546 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.24 -43.59 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.266 -0.879 . . . . 64.200000000000003 111.109 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 51.420000000000002 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 70.319999999999993 111.134 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 33.409999999999997 110.858 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.45 92.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 50.530000000000001 110.872 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 63.009999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 72.439999999999998 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.45 -175.02 4.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.88 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.6 90.12 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 41.030000000000001 110.897 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.91 164.61 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.378 1.085 . . . . 63.119999999999997 110.855 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.546 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.96 -43.77 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.204 -0.907 . . . . 65.420000000000002 111.091 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 40.399999999999999 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 42.549999999999997 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 53.020000000000003 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.409999999999997 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.01 148.24 21.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.350000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 73.450000000000003 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.42 -175.02 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 52.020000000000003 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -128.71 90.07 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 65.510000000000005 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.535 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.5 m -98.12 164.57 12.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.363 1.078 . . . . 63.140000000000001 110.851 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.535 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.95 -43.67 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.244 -0.889 . . . . 62.310000000000002 111.122 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 42.219999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 61.439999999999998 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 111.153 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 65.340000000000003 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 64.519999999999996 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -53.62 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 63.149999999999999 110.87 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 51.439999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 72.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.19 -174.83 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.87 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -128.22 90.01 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -97.19 163.62 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.381 1.086 . . . . 64.120000000000005 110.88 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.32 -43.56 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.253 -0.885 . . . . 72.219999999999999 111.109 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 111.127 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 60.450000000000003 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.140000000000001 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.319999999999993 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m -45.64 110.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.12 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 64.340000000000003 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.4 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.849 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.08 90.59 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 50.409999999999997 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.4 m -96.77 164.77 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.384 1.088 . . . . 71.109999999999999 110.848 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.477 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.25 -43.65 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.256 -0.884 . . . . 51.409999999999997 111.109 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.439999999999998 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 60.049999999999997 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 42.049999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 63.020000000000003 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.39 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.866 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t -129.03 90.5 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 70.510000000000005 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.555 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.4 m -96.96 164.74 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.359 1.076 . . . . 41.0 110.909 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.555 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.2 -43.7 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.301 -0.863 . . . . 72.140000000000001 111.052 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 41.340000000000003 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.5 111.119 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.150000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.63 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 75.109999999999999 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.81 0.338 . . . . 74.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' VAL . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.158 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.865 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 62.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 61.340000000000003 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.420000000000002 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.853 0.359 . . . . 51.329999999999998 111.106 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.409999999999997 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.893 0.377 . . . . 65.040000000000006 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 74.299999999999997 110.856 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 71.129999999999995 111.051 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 54.219999999999999 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 65.010000000000005 110.876 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.549999999999997 110.847 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.945 0.403 . . . . 74.439999999999998 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.79 0.329 . . . . 63.310000000000002 111.1 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 64.040000000000006 111.156 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.558 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.109999999999999 110.876 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 53.030000000000001 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 64.340000000000003 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.814 0.34 . . . . 73.340000000000003 111.087 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 52.039999999999999 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.349999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 44.030000000000001 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 42.030000000000001 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 41.310000000000002 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.383 . . . . 64.319999999999993 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.861 0.362 . . . . 31.329999999999998 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 52.450000000000003 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 53.509999999999998 110.895 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.530000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 64.140000000000001 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 61.439999999999998 110.864 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.838 0.351 . . . . 73.409999999999997 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.049999999999997 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 25.23 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.846 0.355 . . . . 64.230000000000004 111.113 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 110.871 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 74.319999999999993 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 64.319999999999993 110.923 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 61.530000000000001 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 64.420000000000002 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.209999999999994 111.12 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.439999999999998 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 60.229999999999997 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 62.409999999999997 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 74.540000000000006 111.063 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.219999999999999 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 70.319999999999993 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.172 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 53.210000000000001 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.894 0.378 . . . . 63.43 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.844 0.354 . . . . 74.450000000000003 111.093 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 32.25 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 63.329999999999998 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.836 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 55.450000000000003 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 70.030000000000001 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 64.439999999999998 110.894 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.818 0.342 . . . . 50.530000000000001 111.118 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 70.519999999999996 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.863 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 62.109999999999999 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.844 0.354 . . . . 73.129999999999995 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 111.131 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 53.520000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 62.310000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 42.399999999999999 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 73.549999999999997 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.510000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 63.329999999999998 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 10' ' ' VAL . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 52.520000000000003 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 72.120000000000005 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.851 0.358 . . . . 64.200000000000003 111.109 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 51.420000000000002 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 70.319999999999993 111.134 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 33.409999999999997 110.858 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 50.530000000000001 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.898 0.38 . . . . 73.439999999999998 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 41.030000000000001 110.897 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.821 0.343 . . . . 65.420000000000002 111.091 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 40.399999999999999 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 42.549999999999997 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 53.020000000000003 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.409999999999997 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 52.020000000000003 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 65.510000000000005 110.873 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.809 0.338 . . . . 62.310000000000002 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 42.219999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 61.439999999999998 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 111.153 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 65.340000000000003 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 64.519999999999996 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 63.149999999999999 110.87 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.430000000000007 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.827 0.346 . . . . 72.219999999999999 111.109 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 111.127 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 60.450000000000003 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.140000000000001 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.319999999999993 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 74.310000000000002 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 50.409999999999997 110.875 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.839 0.352 . . . . 51.409999999999997 111.109 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.439999999999998 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 60.049999999999997 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 73.099999999999994 110.866 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 70.510000000000005 110.881 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.807 0.337 . . . . 72.140000000000001 111.052 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 41.340000000000003 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.5 111.119 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.150000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 74.450000000000003 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.95 -175.31 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 110.893 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.72 91.08 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 122.364 1.078 . . . . 74.200000000000003 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.535 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -94.38 167.18 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.403 1.097 . . . . 61.109999999999999 110.832 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.535 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -85.4 -43.46 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.244 -0.889 . . . . 74.439999999999998 111.106 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.61 -31.33 4.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 62.509999999999998 112.514 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.35 -80.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 71.420000000000002 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' VAL . 10.2 p -106.61 -8.39 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.158 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.51 -10.7 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.865 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.8 78.15 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -137.37 149.1 46.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.837 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.21 -28.59 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -34.4 72.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 62.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.38 -35.24 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 61.340000000000003 110.905 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.42 116.82 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.829 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 43.130000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 73.230000000000004 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.66 -175.18 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 110.895 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -128.63 90.37 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.383 1.087 . . . . 74.239999999999995 110.9 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -100.99 163.79 12.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.412 1.101 . . . . 71.450000000000003 110.879 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.553 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.58 -43.65 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.23 -0.896 . . . . 51.329999999999998 111.106 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -30.96 4.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.502 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -80.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 73.209999999999994 111.07 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.5 p -110.8 -2.98 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.92 -9.68 55.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.909 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -79.41 79.54 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -137.39 146.81 44.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.853 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.2 -26.62 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.92 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -37.62 73.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -56.62 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.409999999999997 110.86 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 33.119999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.912 0.386 . . . . 63.310000000000002 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.85 -175.27 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 65.040000000000006 110.885 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 t -128.74 91.04 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.365 1.078 . . . . 74.299999999999997 110.856 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -93.22 166.95 12.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.358 1.075 . . . . 62.009999999999998 110.884 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.532 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -84.97 -43.44 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.198 -0.91 . . . . 71.129999999999995 111.051 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.46 -31.84 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 54.219999999999999 112.506 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.54 -81.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 70.120000000000005 111.128 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.04 -12.67 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.159 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.2 -13.18 47.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 65.010000000000005 110.876 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.07 73.91 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -133.39 149.58 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.040000000000006 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.14 -27.62 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.06 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 63.439999999999998 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.2 t -52.75 -33.76 49.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.329999999999998 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 144.9 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.549999999999997 110.847 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 44.020000000000003 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 71.329999999999998 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.89 -175.32 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -128.76 90.71 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.32 1.057 . . . . 53.020000000000003 110.839 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.37 164.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.368 1.08 . . . . 73.010000000000005 110.888 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.554 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.12 -43.61 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.299 -0.864 . . . . 63.310000000000002 111.1 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.49 -30.92 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.518 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.39 -80.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 111.078 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.4 p -108.76 -6.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 64.040000000000006 111.156 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.558 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.98 -11.27 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.109999999999999 110.876 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 t -79.05 80.59 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.92 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.27 147.58 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 53.030000000000001 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.11 -28.56 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.885 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.97 -34.57 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 111.13 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -35.01 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.42 144.28 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 34.409999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.347 . . . . 73.430000000000007 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.88 -175.31 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.85 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.79 90.73 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.347 1.07 . . . . 63.439999999999998 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.63 164.33 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.386 1.088 . . . . 73.430000000000007 110.883 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.541 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.45 -43.63 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.25 -0.887 . . . . 73.340000000000003 111.087 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -31.03 5.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 65.030000000000001 112.451 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -80.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 52.039999999999999 111.082 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -108.11 -6.49 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -67.92 -11.77 59.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.883 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.97 81.78 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -143.4 147.86 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -62.86 -28.56 70.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.349999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.82 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 44.030000000000001 111.04 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -34.66 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 42.030000000000001 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -57.29 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 41.310000000000002 110.848 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 73.439999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.362 . . . . 74.25 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.06 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.91 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.55 90.4 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.341 1.067 . . . . 74.329999999999998 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -98.31 163.95 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.362 1.077 . . . . 70.109999999999999 110.868 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.56 -43.66 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.291 -0.868 . . . . 31.329999999999998 111.082 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.82 -30.99 5.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.521 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.68 -81.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 52.450000000000003 111.062 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -107.97 -6.14 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.450000000000003 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.03 -12.0 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 53.509999999999998 110.895 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.28 81.29 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -141.69 147.9 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -64.71 -26.22 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.56 -31.78 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.094 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -36.83 74.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.540000000000006 110.888 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.54 130.87 48.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.530000000000001 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 71.030000000000001 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.69 -175.08 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.853 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.45 90.14 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.314 1.054 . . . . 61.439999999999998 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.8 m -100.3 163.87 12.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.362 1.077 . . . . 63.32 110.917 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.461 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.94 -43.65 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.282 -0.872 . . . . 73.409999999999997 111.103 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.16 -31.03 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.498 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -81.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.5 t -107.56 -7.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.63 -11.96 49.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.914 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 t -78.39 74.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -131.66 147.16 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.906 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -65.57 -27.12 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.841 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.42 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.049999999999997 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -37.27 73.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.39 115.77 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 25.23 110.857 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 3.4100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.86 0.362 . . . . 73.310000000000002 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.82 -175.26 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 110.919 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 t -128.74 90.73 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.406 1.098 . . . . 75.209999999999994 110.862 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -96.37 164.27 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.303 1.049 . . . . 73.109999999999999 110.903 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.527 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.65 -43.62 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 64.230000000000004 111.113 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.64 -31.08 5.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 40.039999999999999 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -80.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 71.230000000000004 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.8 p -108.23 -6.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -68.01 -11.64 59.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 110.871 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.06 81.67 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -143.35 147.94 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.83 -28.61 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.878 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.49 -34.75 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -34.69 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.898 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 136.24 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 44.340000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.872 0.368 . . . . 55.109999999999999 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.7 -175.25 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t -128.55 90.62 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.393 1.092 . . . . 64.319999999999993 110.923 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.91 164.11 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.355 1.074 . . . . 62.439999999999998 110.877 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.544 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.42 -43.56 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 61.530000000000001 111.114 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.11 -31.06 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 50.229999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.86 -81.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 64.420000000000002 111.075 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.0 t -106.77 -9.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 70.209999999999994 111.12 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.9 -12.66 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.875 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.54 74.34 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.439999999999998 110.845 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -133.33 148.02 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.83 -28.53 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.74 -33.9 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 60.229999999999997 111.097 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.81 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 110.864 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.66 118.39 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 110.838 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 2.1000000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 73.219999999999999 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.76 -175.23 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.895 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.55 90.65 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.364 1.078 . . . . 63.119999999999997 110.857 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.83 164.22 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.401 1.096 . . . . 74.340000000000003 110.855 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.543 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.49 -43.61 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.88 . . . . 74.540000000000006 111.063 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 -31.07 5.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 55.219999999999999 112.524 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.8 -81.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 70.319999999999993 111.099 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.3 t -106.71 -9.34 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.172 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.85 -12.75 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.82 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.53 74.37 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.140000000000001 110.861 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -133.34 148.05 51.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.852 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -63.94 -28.31 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.871 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.95 57.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.71 157.9 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 53.210000000000001 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 70.439999999999998 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 -175.22 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -128.53 90.6 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 122.36 1.076 . . . . 63.350000000000001 110.903 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.81 164.08 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.353 1.073 . . . . 73.200000000000003 110.866 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.32 -43.6 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.24 -0.891 . . . . 74.450000000000003 111.093 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.07 -31.0 5.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 32.25 112.512 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 63.329999999999998 111.065 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.5 t -107.0 -9.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.83 -12.75 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.836 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.49 74.35 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.857 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -133.46 148.28 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.68 -28.77 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 55.450000000000003 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.61 -34.27 50.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 111.129 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -33.58 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.906 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -61.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 110.898 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 25.32 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.871 0.367 . . . . 74.329999999999998 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.8 -175.17 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 70.030000000000001 110.915 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -128.56 90.64 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.313 1.054 . . . . 64.439999999999998 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.7 m -96.32 164.24 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.385 1.088 . . . . 71.519999999999996 110.881 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.551 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.49 -43.59 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.256 -0.883 . . . . 50.530000000000001 111.118 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.17 -31.04 5.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.536 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 70.519999999999996 111.068 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -106.45 -9.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.124 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -64.42 -13.03 49.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.863 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.47 74.21 5.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 62.109999999999999 110.842 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -133.29 148.46 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.92 -28.23 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.15 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.329999999999998 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -33.23 68.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.854 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 153.08 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 12.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 61.100000000000001 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -175.0 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.76 90.75 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 122.364 1.078 . . . . 75.019999999999996 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.0 OUTLIER -92.99 167.28 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.38 1.086 . . . . 70.049999999999997 110.887 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.531 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -69.74 -43.4 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.25 -0.886 . . . . 71.329999999999998 111.131 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.89 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 62.100000000000001 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.13 -79.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 62.030000000000001 111.113 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.1 p -112.56 -1.82 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 72.219999999999999 111.127 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 7.2 mmp_? -70.59 -7.46 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.64 76.28 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -134.97 149.77 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 53.520000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -63.7 -28.29 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.219999999999999 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.74 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 51.200000000000003 111.109 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.69 -35.7 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 61.219999999999999 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.01 118.63 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 62.310000000000002 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 74.109999999999999 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -162.98 -175.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 42.399999999999999 110.9 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t -128.78 91.11 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.402 1.096 . . . . 72.209999999999994 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 0.9 OUTLIER -93.22 167.17 11.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.359 1.076 . . . . 55.240000000000002 110.882 178.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.537 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -85.68 -43.34 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.254 -0.884 . . . . 73.549999999999997 111.127 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -31.62 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.510000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.4 -80.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 63.329999999999998 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 10' ' ' VAL . 23.5 t -105.23 -10.78 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 70.430000000000007 111.123 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.61 -11.66 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -78.74 74.42 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.893 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -133.7 149.99 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.871 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.62 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.61 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 52.520000000000003 111.119 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.14 -33.95 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.49 117.81 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 75.519999999999996 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.14 -175.02 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 72.120000000000005 110.925 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.39 90.05 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 122.366 1.079 . . . . 72.230000000000004 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' HD23 ' A' ' 6' ' ' HYP . 2.0 m -99.82 163.76 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.332 1.063 . . . . 44.219999999999999 110.883 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.546 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -82.24 -43.59 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.266 -0.879 . . . . 64.200000000000003 111.109 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.12 -31.07 5.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 70.340000000000003 112.486 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -81.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 51.420000000000002 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 18.9 t -107.47 -8.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 70.319999999999993 111.134 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.15 -12.11 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 33.409999999999997 110.858 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.48 74.02 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -131.51 147.01 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.209999999999994 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.28 -27.35 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.897 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.8 -30.74 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 111.133 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.85 70.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.912 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.45 92.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 50.530000000000001 110.872 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 63.009999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 72.439999999999998 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.45 -175.02 4.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.88 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.6 90.12 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.345 1.069 . . . . 41.030000000000001 110.897 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.6 m -97.91 164.61 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.378 1.085 . . . . 63.119999999999997 110.855 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.546 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.96 -43.77 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.204 -0.907 . . . . 65.420000000000002 111.091 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.58 -31.19 4.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 40.399999999999999 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.03 -80.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 42.549999999999997 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.84 -2.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.116 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -72.04 -6.82 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.845 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.92 77.57 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.109999999999999 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' NH1' HH21 ' A' ' 11' ' ' ARG . 27.0 mtp180 -134.61 147.25 50.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.838 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -65.79 -26.14 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 53.020000000000003 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -37.35 76.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.409999999999997 110.919 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.01 148.24 21.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 70.409999999999997 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.350000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 73.450000000000003 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.42 -175.02 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 52.020000000000003 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -128.71 90.07 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.332 1.063 . . . . 65.510000000000005 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.535 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.5 m -98.12 164.57 12.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.363 1.078 . . . . 63.140000000000001 110.851 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.535 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.95 -43.67 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.244 -0.889 . . . . 62.310000000000002 111.122 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.56 -31.18 4.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 42.219999999999999 112.49 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -80.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 61.439999999999998 111.136 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.0 p -112.83 -2.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 111.153 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.9 mmp_? -72.01 -6.74 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -79.84 76.82 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.831 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -133.63 147.26 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 65.340000000000003 110.858 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.9 -25.98 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 64.519999999999996 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.67 66.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 111.084 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -37.45 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -53.62 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 63.149999999999999 110.87 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 51.439999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 72.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.19 -174.83 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.87 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -128.22 90.01 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.374 1.083 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.8 m -97.19 163.62 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.381 1.086 . . . . 64.120000000000005 110.88 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.537 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -81.32 -43.56 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.253 -0.885 . . . . 72.219999999999999 111.109 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.99 -30.93 4.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 72.230000000000004 112.478 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 -79.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 64.140000000000001 111.102 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.0 p -110.7 -3.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 111.127 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -69.84 -10.39 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.846 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -79.35 74.78 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -129.93 148.32 51.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 60.450000000000003 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -63.6 -30.43 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.140000000000001 110.925 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -31.17 54.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.319999999999993 111.036 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -23.01 66.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.5 m -45.64 110.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.12 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 64.340000000000003 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.4 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.849 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.08 90.59 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.402 1.096 . . . . 50.409999999999997 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' CB ' ' CD ' ' A' ' 6' ' ' HYP . 1.4 m -96.77 164.77 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.384 1.088 . . . . 71.109999999999999 110.848 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.477 ' CD ' ' CB ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.25 -43.65 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.256 -0.884 . . . . 51.409999999999997 111.109 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.6 -31.18 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.439999999999998 112.527 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.3 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 73.230000000000004 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.9 p -112.31 -2.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.106 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.33 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.78 79.15 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -138.98 147.21 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.5 -28.46 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.200000000000003 110.905 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.63 -33.91 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 60.049999999999997 111.129 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -35.46 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 42.049999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 63.020000000000003 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -162.77 -175.39 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.866 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.0 t -129.03 90.5 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.315 1.055 . . . . 70.510000000000005 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.555 ' HA ' HD23 ' A' ' 6' ' ' HYP . 1.4 m -96.96 164.74 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.359 1.076 . . . . 41.0 110.909 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.555 HD23 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . . . -83.2 -43.7 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.301 -0.863 . . . . 72.140000000000001 111.052 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -31.2 4.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.409999999999997 112.499 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.25 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 41.340000000000003 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.6 p -112.32 -2.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.5 111.119 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 8.8 mmp_? -71.68 -7.28 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.77 78.26 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.150000000000006 110.855 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -137.8 147.07 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -63.58 -28.56 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.874 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.82 38.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 111.122 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -35.66 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.872 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.63 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 . . . . . . . . . . 0 0 . 1 stop_ save_