data_6bvu_residue ############################ # Computer software used # ############################ 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 6bvu _Structure_validation_residue.Date_analyzed 2018-12-14 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 ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 62.03 112.37 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.163 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.895 0.378 . . . . 74.1 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 75.42 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 75.31 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 70.35 112.405 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.918 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.666 0.27 . . . . 71.41 110.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 75.53 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 63.23 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 72.12 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 70.03 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 75.53 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.24 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 70.34 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 60.12 110.831 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 72.54 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.821 0.343 . . . . 75.22 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 72.13 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 52.02 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.54 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.898 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.14 112.397 -0.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.129 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.875 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.784 0.326 . . . . 73.22 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 73.15 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 73.14 111.166 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.89 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 74.45 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 74.13 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.82 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 74.44 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.11 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.793 0.33 . . . . 75.42 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 65.11 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 55.01 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 75.05 112.335 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 60.21 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.845 0.355 . . . . 74.22 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 71.43 111.168 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 75.31 112.286 -0.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 63.53 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.874 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.764 0.316 . . . . 75.44 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 52.21 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.837 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.781 0.324 . . . . 73.54 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.32 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 72.4 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.92 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 74.54 111.168 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.831 0.348 . . . . 73.31 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.43 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.872 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 72.43 111.132 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 53.23 112.338 -0.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 71.12 112.355 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.856 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 73.11 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 73.44 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 75.41 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.833 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.237 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.744 0.307 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 63.54 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.12 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 75.33 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 73.44 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 75.12 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 71.44 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.41 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 73.32 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 74.4 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.824 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 74.52 112.355 -0.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.104 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.838 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 74.45 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 75.52 111.12 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.34 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 71.53 110.89 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.76 0.314 . . . . 74.55 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 75.4 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 74.35 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.23 110.848 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.055 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.836 0.35 . . . . 73.51 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 61.41 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.34 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 75.21 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 63.43 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 64.24 112.41 -0.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 73.3 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 70.43 110.844 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 62.03 112.37 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.163 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -105.87 59.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -118.73 26.13 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.98 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 75.42 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 75.31 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 70.35 112.405 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -114.3 34.18 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -95.78 34.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.41 110.812 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -109.99 40.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -97.33 30.69 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 75.53 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 63.23 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 72.12 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 70.03 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -116.4 52.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -89.31 49.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.842 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.24 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 70.34 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 60.12 110.831 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 72.54 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -103.99 52.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -131.67 17.64 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 72.13 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 52.02 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.54 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.898 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.14 112.397 -0.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.129 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -103.59 51.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.875 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -123.27 49.39 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 73.22 110.854 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 73.15 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 73.14 111.166 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -100.38 47.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -110.76 24.88 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 74.13 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.82 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 74.44 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.11 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.83 30.23 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -117.52 36.5 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 65.11 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 55.01 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 75.05 112.335 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 60.21 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.89 42.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.63 28.33 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 71.43 111.168 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 75.31 112.286 -0.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 63.53 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -113.88 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.92 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.849 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 52.21 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -114.63 44.86 1.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.837 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -125.1 28.97 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.842 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.32 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 72.4 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.92 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 74.54 111.168 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.12 41.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -111.82 36.97 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.43 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.872 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 72.43 111.132 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 53.23 112.338 -0.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 71.12 112.355 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -100.26 37.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.856 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 -113.85 26.32 10.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 73.44 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 75.41 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.833 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.237 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -122.24 55.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -91.6 47.41 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 72.42 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 63.54 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.12 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -128.25 59.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -92.06 45.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 75.33 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 73.44 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 75.12 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 71.44 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.41 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -113.9 27.04 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.81 25.89 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.883 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 74.4 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.824 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 74.52 112.355 -0.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.104 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -111.05 27.12 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -97.29 27.96 3.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.45 110.891 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 75.52 111.12 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.34 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -107.22 33.6 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 71.53 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.22 26.09 9.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 74.55 110.919 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 75.4 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 74.35 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.23 110.848 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.055 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.58 32.89 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -92.67 44.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.905 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 61.41 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.34 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 75.21 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 63.43 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 64.24 112.41 -0.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -99.48 48.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -108.94 45.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 70.43 110.844 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 61.02 112.37 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 7' ' ' PRO . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.895 0.378 . . . . 74.1 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 63.21 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 61.55 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 64.55 112.405 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 62.32 110.918 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.666 0.27 . . . . 71.41 110.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 65.33 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 5' ' ' ILE . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 52.53 110.906 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 4' ' ' SER . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.24 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 75.25 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 43.41 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 70.13 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 61.41 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 75.53 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.13 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 65.04 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 53.32 110.831 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 64.21 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.821 0.343 . . . . 75.22 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 71.2 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 45.24 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.898 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 4' ' ' SER . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.02 112.397 -0.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 7' ' ' PRO . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.875 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.784 0.326 . . . . 73.22 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 72.32 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.01 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 70.31 111.166 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.35 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.52 110.89 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 71.45 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 73.43 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.82 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 72.22 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 63.45 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.793 0.33 . . . . 75.42 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 31.32 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 61.32 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 53.41 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 72.01 112.335 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 55.15 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.85 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.845 0.355 . . . . 73.15 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 61.23 111.168 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 62.34 112.286 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 51.51 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.874 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.764 0.316 . . . . 75.44 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 44.22 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.879 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' ILE . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.837 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.781 0.324 . . . . 73.54 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 64.3 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.484 ' HB3' HD12 ' A' ' 8' ' ' ILE . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.92 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 4' ' ' SER . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 60.5 111.168 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.831 0.348 . . . . 72.15 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.12 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.872 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 62.32 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 44.41 112.338 -0.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD12 ' A' ' 8' ' ' ILE . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 63.35 112.355 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 7' ' ' PRO . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 51.52 110.856 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 73.11 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 71.34 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' ' 8' ' ' ILE . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 62.44 110.833 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 70.44 111.237 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 52.22 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.744 0.307 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 62.32 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.4 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 60.24 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 72.41 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 70.03 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 63.15 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 64.02 111.166 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.14 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 73.32 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 45.53 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' HD12 ' A' ' 5' ' ' ILE . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 31.34 110.824 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 4' ' ' SER . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 72.52 112.355 -0.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.104 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 73.43 110.838 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 72.34 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 8' ' ' ILE . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 73.55 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 54.42 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.89 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.76 0.314 . . . . 73.55 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 74.41 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 61.2 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.848 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' HD12 ' A' ' 8' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 6' ' ' PRO . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 71.15 111.055 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.836 0.35 . . . . 73.51 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 54.22 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.33 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 8' ' ' ILE . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 62.31 111.129 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 63.41 112.41 -0.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 73.3 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 63.02 110.844 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 61.02 112.37 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 7' ' ' PRO . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -105.87 59.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -118.73 26.13 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.98 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 63.21 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 61.55 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 64.55 112.405 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -114.3 34.18 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 62.32 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -95.78 34.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.41 110.812 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 65.33 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 5' ' ' ILE . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 52.53 110.906 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 4' ' ' SER . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.24 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -109.99 40.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -97.33 30.69 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 75.25 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 43.41 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 70.13 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 61.41 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -116.4 52.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -89.31 49.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.842 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.13 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 65.04 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 53.32 110.831 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 64.21 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -103.99 52.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -131.67 17.64 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 71.2 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 45.24 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.898 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 4' ' ' SER . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.02 112.397 -0.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 7' ' ' PRO . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -103.59 51.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.875 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -123.27 49.39 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 73.22 110.854 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 72.32 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.01 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 70.31 111.166 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.35 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -100.38 47.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.52 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -110.76 24.88 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.45 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 73.43 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.82 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 72.22 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 63.45 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.83 30.23 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -117.52 36.5 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 31.32 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 61.32 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 53.41 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 72.01 112.335 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 55.15 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.89 42.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.85 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.63 28.33 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.15 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 61.23 111.168 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 62.34 112.286 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 51.51 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -113.88 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.92 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.849 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 44.22 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.879 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' ILE . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -114.63 44.86 1.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.837 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -125.1 28.97 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.842 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 64.3 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.484 ' HB3' HD12 ' A' ' 8' ' ' ILE . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.92 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 4' ' ' SER . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 60.5 111.168 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.12 41.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -111.82 36.97 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.15 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.12 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.872 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 62.32 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 44.41 112.338 -0.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD12 ' A' ' 8' ' ' ILE . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 63.35 112.355 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 7' ' ' PRO . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -100.26 37.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 51.52 110.856 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 -113.85 26.32 10.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 71.34 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' ' 8' ' ' ILE . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 62.44 110.833 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 70.44 111.237 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 52.22 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -122.24 55.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -91.6 47.41 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 72.42 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 62.32 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.4 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 60.24 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -128.25 59.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -92.06 45.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 70.03 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 63.15 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 64.02 111.166 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.14 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -113.9 27.04 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.81 25.89 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.883 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 45.53 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' HD12 ' A' ' 5' ' ' ILE . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 31.34 110.824 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 4' ' ' SER . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 72.52 112.355 -0.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.104 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -111.05 27.12 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 73.43 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -97.29 27.96 3.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 8' ' ' ILE . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 73.55 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 54.42 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -107.22 33.6 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.22 26.09 9.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 73.55 110.919 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 74.41 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 61.2 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.848 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' HD12 ' A' ' 8' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 6' ' ' PRO . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 71.15 111.055 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.58 32.89 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -92.67 44.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.905 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 54.22 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.33 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 8' ' ' ILE . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 62.31 111.129 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 63.41 112.41 -0.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -99.48 48.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -108.94 45.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 63.02 110.844 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 61.02 112.37 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 7' ' ' PRO . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.895 0.378 . . . . 74.1 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 63.21 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 61.55 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 64.55 112.405 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 62.32 110.918 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.666 0.27 . . . . 71.41 110.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 65.33 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 5' ' ' ILE . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 52.53 110.906 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 4' ' ' SER . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.24 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 75.25 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 43.41 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 70.13 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 61.41 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 75.53 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.13 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 65.04 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 53.32 110.831 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 64.21 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.821 0.343 . . . . 75.22 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 71.2 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 45.24 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.898 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 4' ' ' SER . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.02 112.397 -0.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 7' ' ' PRO . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.875 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.784 0.326 . . . . 73.22 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 72.32 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.01 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 70.31 111.166 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.35 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.52 110.89 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 71.45 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 73.43 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.82 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 72.22 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 63.45 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.793 0.33 . . . . 75.42 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 31.32 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 61.32 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 53.41 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 72.01 112.335 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 55.15 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.85 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.845 0.355 . . . . 73.15 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 61.23 111.168 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 62.34 112.286 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 51.51 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.874 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.764 0.316 . . . . 75.44 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 44.22 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.879 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' ILE . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.837 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.781 0.324 . . . . 73.54 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 64.3 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.484 ' HB3' HD12 ' A' ' 8' ' ' ILE . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.92 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 4' ' ' SER . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 60.5 111.168 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.831 0.348 . . . . 72.15 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.12 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.872 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 62.32 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 44.41 112.338 -0.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD12 ' A' ' 8' ' ' ILE . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 63.35 112.355 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 7' ' ' PRO . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 51.52 110.856 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 73.11 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 71.34 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' ' 8' ' ' ILE . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 62.44 110.833 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 70.44 111.237 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 52.22 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.744 0.307 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 62.32 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.4 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 60.24 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 72.41 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 70.03 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 63.15 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 64.02 111.166 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.14 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 73.32 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 45.53 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' HD12 ' A' ' 5' ' ' ILE . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 31.34 110.824 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 4' ' ' SER . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 72.52 112.355 -0.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.104 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 73.43 110.838 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 72.34 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 8' ' ' ILE . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 73.55 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 54.42 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.89 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.76 0.314 . . . . 73.55 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 74.41 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 61.2 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.848 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' HD12 ' A' ' 8' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 6' ' ' PRO . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 71.15 111.055 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.836 0.35 . . . . 73.51 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 54.22 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.33 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 8' ' ' ILE . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 62.31 111.129 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 63.41 112.41 -0.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 73.3 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 63.02 110.844 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 61.15 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -121.76 152.29 39.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 71.21 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 54.19 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 55.13 111.116 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -77.64 -173.58 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.865 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.3 mt -142.07 92.89 7.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 72.53 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 165.26 76.8 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 -1.805 . . . . 65.45 112.371 -0.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.67 164.62 33.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 61.02 112.37 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 7' ' ' PRO . 30.1 mm -127.18 136.36 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -146.97 124.46 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.843 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -105.87 59.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.819 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -118.73 26.13 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.98 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -104.01 -74.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.873 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.827 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 51.42 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 173.93 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.133 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 72.24 111.11 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.4 m -74.93 -173.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 68.7 mt -142.1 92.81 7.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.672 0.749 . . . . 63.21 111.1 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.78 165.4 76.79 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.647 -1.814 . . . . 61.55 112.415 -0.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.1 Cg_endo -69.74 147.66 63.48 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.705 2.27 . . . . 64.55 112.405 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 mm -102.19 139.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.31 111.074 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.98 131.98 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -114.3 34.18 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 62.32 110.918 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -95.78 34.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.41 110.812 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -116.11 -68.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.807 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 65.33 110.976 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.921 0.391 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.8 p -114.66 178.87 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.109 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.44 43.09 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.176 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HD13 ' A' ' 5' ' ' ILE . 72.5 m -68.32 -173.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 52.53 110.906 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 4' ' ' SER . 42.1 mm -141.93 92.88 7.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.73 . . . . 72.45 111.087 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.81 165.46 76.72 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.621 -1.824 . . . . 71.51 112.366 -0.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 161.0 47.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 73.03 112.285 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.69 146.5 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.19 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -144.58 133.16 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.24 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -109.99 40.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -97.33 30.69 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 75.25 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -108.47 -69.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.914 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.778 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.911 0.386 . . . . 73.32 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -96.55 -174.49 3.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 43.41 111.076 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.87 40.53 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 72.3 m -71.55 -173.57 0.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.823 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 6.0 tt -142.06 92.69 7.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 70.13 111.164 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.81 165.41 76.84 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.618 -1.826 . . . . 61.41 112.349 -0.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.73 157.28 61.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 73.4 112.319 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.6 mm -109.4 128.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.86 128.74 19.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.03 110.84 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -116.4 52.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.839 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -89.31 49.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.842 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -127.68 -58.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.884 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.934 0.397 . . . . 74.13 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -106.93 177.62 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 65.04 111.115 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.0 43.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.12 111.047 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 67.6 m -71.37 -173.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 53.32 110.831 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 tt -143.15 93.07 6.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.675 0.75 . . . . 75.34 111.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.83 166.05 75.23 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 -1.786 . . . . 74.35 112.309 -0.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 54.5 Cg_endo -69.74 153.63 68.8 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.627 2.218 . . . . 65.12 112.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.68 123.84 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 64.21 111.174 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -135.43 133.23 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -103.99 52.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.03 110.839 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -131.67 17.64 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -102.06 -72.99 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.925 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 71.2 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 72.14 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -117.34 140.55 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 45.24 111.205 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.1 61.7 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.138 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -84.38 -177.7 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.898 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 4' ' ' SER . 49.1 mm -135.13 95.0 15.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 72.34 111.099 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.67 167.73 69.72 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.703 -1.79 . . . . 72.02 112.397 -0.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 54.3 Cg_endo -69.77 173.47 10.93 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.664 2.243 . . . . 74.01 112.371 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 7' ' ' PRO . 38.5 mm -145.09 142.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.26 134.84 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -103.59 51.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.875 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -123.27 49.39 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 73.22 110.854 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -131.41 -73.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.761 0.315 . . . . 72.32 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 p -120.31 141.68 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.01 111.17 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 55.81 3.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 75.4 111.136 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -177.59 6.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.851 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.0 mp -135.13 94.87 15.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.587 0.708 . . . . 70.31 111.166 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 167.72 70.35 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.579 -1.842 . . . . 72.33 112.326 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 177.44 5.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.686 2.257 . . . . 74.55 112.335 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.2 mm -146.15 140.95 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.35 111.068 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 m -149.92 122.96 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.899 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -100.38 47.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.52 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -110.76 24.88 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.45 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -105.87 -68.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 73.43 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.848 0.356 . . . . 74.34 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -120.21 165.09 15.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 72.33 111.099 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.65 48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.082 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 33.4 t -77.3 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.82 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.4 mp -135.43 95.27 14.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 72.22 111.163 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.69 166.13 74.66 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.744 -1.774 . . . . 72.01 112.378 -0.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.71 153.8 68.71 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 72.21 112.378 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.3 mm -110.03 141.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 63.45 111.05 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 m -148.85 125.95 11.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.896 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.83 30.23 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.862 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -117.52 36.5 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -113.99 -59.25 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.923 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.892 0.377 . . . . 31.32 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -142.13 165.89 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 61.32 111.158 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.02 55.48 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.06 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.9 m -77.69 -175.68 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 73.12 110.819 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 47.0 mt -145.51 94.3 5.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.749 0.785 . . . . 73.35 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.67 165.0 77.53 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.744 -1.774 . . . . 53.41 112.334 -0.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.2 Cg_endo -69.78 154.78 67.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 72.01 112.335 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.28 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 55.15 111.185 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -147.42 146.86 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.89 42.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.85 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.63 28.33 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.15 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -108.31 -64.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.886 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.896 0.379 . . . . 75.54 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -122.36 158.92 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 73.03 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.24 53.82 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.075 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t -79.19 172.22 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 53.41 110.815 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -133.1 95.27 18.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 61.23 111.168 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.82 166.23 74.74 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 -1.813 . . . . 62.34 112.286 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.55 56.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 51.51 112.298 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.02 138.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.181 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -147.58 130.49 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -113.88 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.92 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.849 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -120.6 -71.92 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 70.02 110.852 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.891 0.377 . . . . 44.22 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -134.79 163.8 28.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 73.42 111.184 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 56.86 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.108 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . 3.8 m -80.71 -175.74 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.879 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' ILE . 5.5 tt -144.8 93.94 5.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 74.51 111.196 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.78 78.54 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 122.662 -1.808 . . . . 64.51 112.341 -0.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 53.5 Cg_endo -69.82 154.64 67.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 74.33 112.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.91 139.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -145.66 153.44 41.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.905 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -114.63 44.86 1.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.837 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -125.1 28.97 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.842 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.45 -66.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.847 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 64.3 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -110.37 171.29 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 73.15 111.146 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.76 39.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.046 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.484 ' HB3' HD12 ' A' ' 8' ' ' ILE . 11.4 t -64.77 -173.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.92 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -149.72 96.22 3.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.603 0.716 . . . . 74.33 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.79 162.34 84.4 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 -1.826 . . . . 62.3 112.351 -0.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.8 Cg_endo -69.67 166.55 27.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.646 2.231 . . . . 75.53 112.447 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 4' ' ' SER . 4.2 mp -130.66 140.87 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 60.5 111.168 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.0 m -145.42 126.61 14.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.12 41.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -111.82 36.97 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.15 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -111.27 -58.33 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.12 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.855 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.89 0.376 . . . . 54.45 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -99.44 162.11 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 70.23 111.176 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.4 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 10.6 t -79.9 -173.75 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.872 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.5 mt -150.13 96.41 3.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 62.32 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.75 162.87 83.19 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 -1.807 . . . . 44.41 112.338 -0.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD12 ' A' ' 8' ' ' ILE . 53.6 Cg_endo -69.85 171.58 14.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 63.35 112.355 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 7' ' ' PRO . 3.6 mp -133.92 102.54 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 71.04 111.181 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -116.78 131.92 56.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -100.26 37.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 51.52 110.856 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 mtm-85 -113.85 26.32 10.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -101.99 -64.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.846 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.996 0.427 . . . . 71.34 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -111.02 159.62 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 74.1 111.195 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.34 51.4 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 73.12 111.109 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' ' 8' ' ' ILE . 10.9 t -82.35 -172.82 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 62.44 110.833 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 57.3 mt -150.16 96.3 3.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.646 0.736 . . . . 72.14 111.195 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.77 161.8 85.48 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.663 -1.807 . . . . 72.13 112.388 -0.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.4 Cg_endo -69.74 155.49 65.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.12 112.401 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.8 mp -119.88 101.56 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 70.44 111.237 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.53 136.62 54.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 52.22 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -122.24 55.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.888 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -91.6 47.41 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 72.42 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -129.07 -56.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.877 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.925 0.393 . . . . 62.32 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -115.85 162.72 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.248 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 49.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.4 111.061 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -75.91 -175.81 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.937 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 5.1 tt -135.41 95.5 14.52 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.556 0.693 . . . . 73.14 111.109 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.7 167.6 70.27 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 75.2 112.321 -0.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -177.19 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 62.42 112.374 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -147.23 140.78 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 60.24 111.124 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -148.64 136.53 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.2 110.841 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -128.25 59.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.33 110.823 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -92.06 45.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -124.74 -61.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.873 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.899 0.381 . . . . 74.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -131.33 165.36 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 70.03 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.51 63.64 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -88.41 177.08 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 63.15 110.865 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 66.6 mt -133.3 95.28 18.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 64.02 111.166 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.2 Cg_endo -69.9 165.64 76.5 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 -1.797 . . . . 72.31 112.322 0.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 126.06 12.86 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.703 2.269 . . . . 74.14 112.328 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -79.53 138.63 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.214 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.29 113.08 4.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.833 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -113.9 27.04 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.841 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.81 25.89 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.883 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -103.71 -59.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.868 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 45.53 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p -133.59 -179.09 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 64.31 111.201 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.9 51.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.082 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' C ' HD12 ' A' ' 5' ' ' ILE . 17.2 t -80.45 -177.98 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 31.34 110.824 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 4' ' ' SER . 5.4 mp -144.62 96.21 5.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.658 0.742 . . . . 75.44 111.128 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.79 162.74 83.57 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 -1.808 . . . . 72.52 112.355 -0.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.6 Cg_endo -69.75 163.23 39.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.615 2.21 . . . . 72.23 112.39 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.7 mp -128.23 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.104 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.7 m -145.32 140.43 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 63.15 110.796 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -111.05 27.12 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 73.43 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -97.29 27.96 3.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.06 -67.19 0.89 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.15 110.86 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 55.01 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 p -101.91 160.6 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.53 111.166 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.48 38.34 1.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.107 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 8' ' ' ILE . 16.0 t -72.81 -177.46 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.875 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 33.7 mm -145.38 96.39 4.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 73.55 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.71 162.73 83.4 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 -1.8 . . . . 74.41 112.328 -0.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 156.39 63.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 71.51 112.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.5 mp -121.43 100.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.064 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -109.41 141.75 41.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 54.42 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -107.22 33.6 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.22 26.09 9.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 73.55 110.919 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -107.23 -60.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 74.41 110.846 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.954 0.407 . . . . 60.22 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -137.73 169.18 18.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 61.2 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.97 48.06 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.07 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . 9.8 t -66.75 -172.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.848 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -150.41 96.49 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 63.33 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' HD12 ' A' ' 8' ' ' ILE . 55.2 Cg_endo -69.7 161.17 86.56 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.725 -1.781 . . . . 64.34 112.416 -0.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 53.7 Cg_endo -69.78 152.52 69.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.654 2.236 . . . . 75.31 112.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 6' ' ' PRO . 3.9 mp -129.6 140.22 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 71.15 111.055 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.7 m -145.9 132.66 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.917 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.58 32.89 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -92.67 44.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.905 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -128.38 -66.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.893 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.859 0.361 . . . . 54.22 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.8 p -91.95 -179.63 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 70.33 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.7 59.7 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.073 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 8' ' ' ILE . 20.8 t -91.67 -179.1 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 75.31 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.94 96.01 6.77 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.574 0.702 . . . . 62.31 111.129 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 161.08 86.78 Favored 'Cis proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.668 -1.805 . . . . 63.41 112.41 -0.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 54.0 Cg_endo -69.86 165.07 32.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 71.44 112.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 4' ' ' SER . 3.9 mp -129.24 140.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 73.24 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -144.53 133.56 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 61.42 110.963 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -99.48 48.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 71.53 110.913 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -108.94 45.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -123.79 -68.44 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 63.02 110.844 -179.925 . . . . . . . . 0 0 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