data_2ns4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ns4 _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.471 ' CG1' ' CG ' ' A' ' 9' ' ' ARG . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 9' ' ' ARG . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 9' ' ' ARG . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' C ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.51 ' CD1' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.52 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 9' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.469 ' CG1' ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG3' ' CG1' ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ARG . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.437 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 3' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' HB ' ' CD ' ' A' ' 3' ' ' ARG . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' CG1' ' CG ' ' A' ' 9' ' ' ARG . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 9' ' ' ARG . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 9' ' ' ARG . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' C ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.51 ' CD1' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.52 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 9' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' CG1' ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG3' ' CG1' ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ARG . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 3' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' HB ' ' CD ' ' A' ' 3' ' ' ARG . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.041 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 10' ' ' ILE . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.915 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.915 HD13 ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' ILE . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.888 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' ILE . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.9 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.633 HG21 HH11 ' A' ' 9' ' ' ARG . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.004 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.004 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.035 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.035 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.955 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.966 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.966 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.028 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.72 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.428 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.038 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.038 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' HG13 ' A' ' 2' ' ' VAL . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 11' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.576 ' N ' HG23 ' A' ' 4' ' ' THR . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.712 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.862 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.862 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.519 HG13 ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' HG13 ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' CG ' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.587 ' N ' HG23 ' A' ' 4' ' ' THR . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.702 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.587 ' CG ' HG22 ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.731 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG22 ' HD2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HD2' HG22 ' A' ' 2' ' ' VAL . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 11' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 12' ' ' ILE . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.041 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 10' ' ' ILE . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.915 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.915 HD13 ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' ILE . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.888 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' ILE . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.9 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.633 HG21 HH11 ' A' ' 9' ' ' ARG . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.004 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.004 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.035 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.035 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.955 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.966 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.966 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.028 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.72 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.428 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.038 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.038 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' HG13 ' A' ' 2' ' ' VAL . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 11' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' N ' HG23 ' A' ' 4' ' ' THR . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.712 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.862 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.862 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.519 HG13 ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' HG13 ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' CG ' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.587 ' N ' HG23 ' A' ' 4' ' ' THR . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.702 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.587 ' CG ' HG22 ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.731 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG22 ' HD2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HD2' HG22 ' A' ' 2' ' ' VAL . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 11' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 12' ' ' ILE . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.041 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 10' ' ' ILE . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.915 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.915 HD13 ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' ILE . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.888 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' ILE . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.9 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.633 HG21 HH11 ' A' ' 9' ' ' ARG . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.004 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.004 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.035 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.035 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.955 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.966 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.966 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.028 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.72 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.428 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.038 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.038 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' HG13 ' A' ' 2' ' ' VAL . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 11' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.576 ' N ' HG23 ' A' ' 4' ' ' THR . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.712 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.862 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.862 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.519 HG13 ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' HG13 ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' CG ' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.587 ' N ' HG23 ' A' ' 4' ' ' THR . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.702 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.587 ' CG ' HG22 ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.731 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG22 ' HD2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HD2' HG22 ' A' ' 2' ' ' VAL . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 11' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 12' ' ' ILE . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.7 t -132.01 104.15 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.91 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.68 139.01 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -151.14 156.76 41.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.52 45.26 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.16 35.63 34.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.54 163.06 32.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -102.07 146.95 27.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -142.53 159.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.0 ttp180 -123.37 139.4 54.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.0 94.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 123.79 1.757 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.6 Cg_exo 68.41 -116.49 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.425 0 C-N-CA 122.377 2.051 . . . . 0.0 115.183 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.587 2.11 . . . . 0.0 117.587 -171.386 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.3 t -114.52 95.89 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -167.18 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' ARG . 9.8 m -156.61 147.37 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -160.7 153.38 20.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 49.95 30.32 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 26.69 73.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 mtt180 -127.41 153.43 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.041 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -101.39 137.83 39.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -136.93 158.7 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' A' ' 2' ' ' VAL . 5.0 ttp180 -112.17 139.17 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -165.17 93.62 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.711 1.72 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.2 Cg_exo 67.97 -114.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.354 2.036 . . . . 0.0 115.265 172.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.627 2.126 . . . . 0.0 117.627 -171.441 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 10' ' ' ILE . 90.4 t -121.74 98.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.64 -168.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.2 m -154.09 144.32 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' ARG . 3.3 tpm_? -162.59 159.68 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 48.9 29.95 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.38 28.58 73.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.25 158.77 40.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.915 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.0 tmm_? -101.74 136.59 41.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.915 HD13 ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -134.08 143.2 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -104.14 142.68 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.4 tt -169.16 99.23 0.5 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 123.723 1.725 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.9 Cg_exo 65.53 -115.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.348 2.032 . . . . 0.0 115.247 172.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.198 0 N-CA-C 117.563 2.101 . . . . 0.0 117.563 -171.442 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.8 p -122.13 99.11 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -87.53 -169.96 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.612 1.195 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m -146.17 139.17 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.17 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' ARG . 7.0 mtm180 -150.2 156.8 42.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 43.28 45.21 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.63 36.21 31.43 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 4' ' ' THR . 7.5 mtp-105 -137.66 163.05 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -101.04 145.71 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -139.77 160.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -128.01 140.12 52.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.9 tt -168.31 94.16 0.6 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 123.714 1.721 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.3 Cg_exo 67.25 -116.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.573 2.442 0 C-N-CA 122.301 2.001 . . . . 0.0 115.253 172.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.568 2.196 0 N-CA-C 117.567 2.103 . . . . 0.0 117.567 -171.412 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' ILE . 32.9 t -127.02 101.08 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -170.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 8' ' ' ARG . 5.2 m -155.02 145.83 22.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -162.22 153.57 18.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.49 43.36 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 35.05 44.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 4' ' ' THR . 2.4 mtm180 -131.0 161.76 31.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.888 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -106.06 140.44 39.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.3 mm -141.37 166.58 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.0 ttt180 -119.53 139.55 51.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 12' ' ' ILE . 2.6 tt -161.49 89.73 1.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 123.741 1.734 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.7 Cg_exo 71.22 -116.84 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.402 0 C-N-CA 122.297 1.998 . . . . 0.0 115.306 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.173 0 N-CA-C 117.56 2.1 . . . . 0.0 117.56 -171.413 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.2 p -126.17 102.4 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -169.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -151.99 142.74 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.9 tmm_? -166.73 158.2 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 47.9 25.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 28.96 74.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -127.66 174.72 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -106.85 139.83 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.53 156.32 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.42 139.29 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.43 93.82 0.98 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 123.709 1.719 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.2 Cg_exo 68.7 -116.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.33 0 C-N-CA 122.284 1.99 . . . . 0.0 115.262 172.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.137 0 N-CA-C 117.634 2.129 . . . . 0.0 117.634 -171.415 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' ILE . 91.4 t -123.72 93.7 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.89 -166.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.232 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -144.34 138.91 28.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.412 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.6 ttp180 -156.19 157.14 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 50.1 24.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.72 25.28 75.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 9.9 ptm180 -137.32 150.94 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.9 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.82 139.23 36.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.8 166.29 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.98 138.6 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -164.24 90.01 1.08 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.678 1.704 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 60.5 Cg_exo 71.32 -116.72 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.358 0 C-N-CA 122.344 2.03 . . . . 0.0 115.298 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.568 2.206 0 N-CA-C 117.562 2.101 . . . . 0.0 117.562 -171.374 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.633 HG21 HH11 ' A' ' 9' ' ' ARG . 2.7 p -107.33 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -72.05 -170.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.8 m -146.11 139.82 26.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.72 156.41 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 8.5 pttt 46.23 39.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 31.85 66.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' THR . 21.7 mmt180 -138.52 163.35 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.004 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.4 tmm_? -95.19 138.28 33.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.004 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.6 mm -138.74 163.46 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -112.2 141.14 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.0 98.29 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 123.73 1.728 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.3 Cg_exo 66.31 -115.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.345 0 C-N-CA 122.352 2.035 . . . . 0.0 115.261 172.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.189 0 N-CA-C 117.617 2.122 . . . . 0.0 117.617 -171.436 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.3 p -128.45 101.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -168.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -152.13 144.37 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -161.34 151.56 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.16 43.12 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.17 35.24 33.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -131.71 161.12 33.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.296 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.035 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.6 tmm_? -93.6 136.25 34.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.035 HD13 ' O ' ' A' ' 9' ' ' ARG . 2.9 mm -135.72 163.19 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -120.91 140.92 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.3 tp -164.17 95.29 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 123.756 1.741 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 60.7 Cg_exo 67.41 -115.99 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.4 0 C-N-CA 122.316 2.011 . . . . 0.0 115.195 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.135 0 N-CA-C 117.545 2.094 . . . . 0.0 117.545 -171.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.9 p -108.54 92.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -80.04 -170.21 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -141.11 136.42 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 27.6 mtp180 -152.47 162.7 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 24.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.72 24.63 76.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.59 149.69 45.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -87.32 138.95 31.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -134.14 150.25 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 138.22 54.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 tt -178.35 124.18 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.754 1.74 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 60.4 -112.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.351 0 C-N-CA 122.296 1.997 . . . . 0.0 115.26 172.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.165 0 N-CA-C 117.575 2.106 . . . . 0.0 117.575 -171.421 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.4 p -133.05 108.01 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -165.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m -142.07 139.75 32.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -145.36 155.61 43.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 46.68 36.72 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.4 31.92 67.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 4' ' ' THR . 20.3 mtt85 -137.0 161.55 35.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.955 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -92.8 134.82 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 9' ' ' ARG . 3.6 mm -139.41 165.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.966 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.96 135.74 50.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.966 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.56 85.87 11.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 123.754 1.74 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.536 59.5 Cg_exo 51.01 -102.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.378 0 C-N-CA 122.295 1.997 . . . . 0.0 115.315 172.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.169 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.6 p -124.43 100.41 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -85.77 -170.66 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 8' ' ' ARG . 6.9 m -155.19 146.51 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ARG . 15.6 ttt85 -164.92 157.38 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.51 36.96 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 32.67 66.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 4' ' ' THR . 5.7 mmm180 -130.72 161.59 31.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.028 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -111.73 142.4 44.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.6 mm -135.56 160.73 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -126.37 139.36 53.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.72 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.1 tt -164.8 85.59 1.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 123.683 1.706 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.6 Cg_exo 71.32 -113.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.38 0 C-N-CA 122.275 1.983 . . . . 0.0 115.289 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.54 2.092 . . . . 0.0 117.54 -171.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.5 p -128.61 102.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -97.68 -174.19 2.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 1.9 m -148.75 141.47 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -159.77 157.95 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt 45.95 38.58 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.11 33.05 60.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.6 OUTLIER -132.22 162.01 32.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -112.55 138.38 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -132.81 141.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -116.86 139.57 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -167.94 98.64 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 123.8 1.762 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 61.3 Cg_exo 65.73 -113.37 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.391 0 C-N-CA 122.288 1.992 . . . . 0.0 115.189 172.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.127 0 N-CA-C 117.601 2.116 . . . . 0.0 117.601 -171.377 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -98.8 -148.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.428 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 176.21 172.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -153.86 145.47 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ARG . 12.5 ttt-85 -171.71 154.51 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.52 42.88 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.29 34.7 33.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ARG . 1.9 mmt-85 -129.14 158.94 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.038 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -99.48 132.88 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.038 HD13 ' O ' ' A' ' 9' ' ' ARG . 1.3 mm -137.9 159.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' HG13 ' A' ' 2' ' ' VAL . 14.9 ttm180 -133.34 153.65 51.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' ILE . 3.8 tp -159.53 80.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.694 1.711 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.7 Cg_exo 66.75 -115.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 122.366 2.044 . . . . 0.0 115.284 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.123 0 N-CA-C 117.6 2.115 . . . . 0.0 117.6 -171.444 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 11' ' ' ARG . 7.4 t -145.77 113.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.88 -165.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -122.59 177.47 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' N ' HG23 ' A' ' 4' ' ' THR . 3.0 ttt180 173.55 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 47.8 31.6 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.86 30.63 76.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ARG . 37.6 mtm-85 -140.72 163.23 33.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -105.21 137.09 43.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -131.21 140.61 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 2' ' ' VAL . 22.6 ttp180 -124.88 139.17 54.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.7 tt -163.79 84.9 1.29 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 123.666 1.698 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.4 Cg_exo 68.41 -116.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.405 0 C-N-CA 122.275 1.983 . . . . 0.0 115.284 172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.187 0 N-CA-C 117.597 2.114 . . . . 0.0 117.597 -171.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.712 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.9 t 40.18 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -166.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -151.31 143.88 24.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 47.8 ttt180 -179.97 161.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 42.0 36.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.33 35.91 36.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mmm180 -135.27 162.94 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.862 ' O ' HD13 ' A' ' 10' ' ' ILE . 1.4 tmm_? -100.19 133.38 44.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.862 HD13 ' O ' ' A' ' 9' ' ' ARG . 4.6 mm -142.82 167.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.9 ttm-85 -122.96 138.14 54.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -176.94 101.51 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 123.715 1.722 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.538 60.4 Cg_exo 62.29 -114.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.265 1.977 . . . . 0.0 115.256 172.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 58.0 Cg_endo . . . . . 0 CA--C 1.566 2.1 0 N-CA-C 117.653 2.136 . . . . 0.0 117.653 -171.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.519 HG13 ' HG3' ' A' ' 11' ' ' ARG . 4.8 t -134.0 107.46 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -164.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.59 136.58 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -143.69 155.6 44.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt 51.42 26.64 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.3 79.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 154.88 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 139.77 38.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -140.65 153.76 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' HG13 ' A' ' 2' ' ' VAL . 3.3 ttt180 -133.64 138.56 45.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -172.28 98.48 0.37 Allowed Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 123.717 1.722 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 59.8 Cg_exo 60.48 -113.02 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.369 0 C-N-CA 122.34 2.027 . . . . 0.0 115.217 172.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.568 2.177 0 N-CA-C 117.599 2.115 . . . . 0.0 117.599 -171.402 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' CG ' ' A' ' 11' ' ' ARG . 69.6 t -153.94 110.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -155.79 -164.78 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -110.37 178.27 4.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.148 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.587 ' N ' HG23 ' A' ' 4' ' ' THR . 14.7 ttp180 174.79 150.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' CD ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 44.57 37.45 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.03 33.79 86.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 66.0 mtt180 -143.87 162.18 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 110.34 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 1.7 tmm_? -108.49 139.9 42.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.702 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -140.64 144.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.587 ' CG ' HG22 ' A' ' 2' ' ' VAL . 14.4 ttt180 -131.95 138.46 48.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.731 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -165.87 83.99 1.01 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 123.723 1.725 . . . . 0.0 109.306 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.5 Cg_exo 62.67 -112.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.413 0 C-N-CA 122.321 2.014 . . . . 0.0 115.281 172.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.154 0 N-CA-C 117.621 2.123 . . . . 0.0 117.621 -171.416 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG22 ' HD2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 62.22 129.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' C ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -129.48 -170.81 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 3' ' ' ARG . 7.2 m -156.29 147.39 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -179.11 154.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.223 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 47.11 41.99 12.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.85 35.18 31.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -133.07 163.92 28.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HD2' HG22 ' A' ' 2' ' ' VAL . 19.7 tpp180 -105.62 130.37 53.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -144.45 166.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.49 137.87 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -179.33 150.04 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.709 1.718 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.537 60.9 Cg_exo 58.71 -110.86 0.0 OUTLIER 'Trans proline' 0 CA--C 1.572 2.377 0 C-N-CA 122.313 2.009 . . . . 0.0 115.229 172.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.184 0 N-CA-C 117.625 2.125 . . . . 0.0 117.625 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 2' ' ' VAL . 17.1 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 1' ' ' ARG . 1.0 OUTLIER -179.72 132.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 ttt180 -145.93 153.22 40.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -140.39 142.69 35.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.335 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 tttp 43.61 50.02 6.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.9 39.14 4.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -135.82 164.0 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.249 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.78 131.65 41.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 11' ' ' ARG . 1.1 mp -140.61 171.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.0 ttt180 -121.1 140.32 52.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 12' ' ' ILE . 3.1 tp -166.87 147.87 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 123.748 1.737 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . 2.535 59.2 Cg_exo 53.13 -105.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.571 2.366 0 C-N-CA 122.351 2.034 . . . . 0.0 115.2 172.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 1' ' ' ARG . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.577 2.107 . . . . 0.0 117.577 -171.357 . . . . . . . . 1 1 . 1 stop_ save_