data_2jr6_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 2jr6 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.628 0.251 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HG ' HD21 ' A' ' 18' ' ' LEU . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD21 ' HG ' ' A' ' 11' ' ' CYS . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.505 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HA ' HD21 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.862 0.363 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 67.2 t60 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.411 ' CE3' HD22 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.62 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.62 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.53 HD11 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? . . . . . 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.59 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.818 ' HZ2' ' HB2' ' A' ' 15' ' ' LYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.917 HD12 HD12 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.917 HD12 HD12 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.59 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.677 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.705 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.907 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.705 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.403 ' HH ' HD21 ' A' ' 18' ' ' LEU . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB3' HD23 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 mttm . . . . . 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.6 m . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 111.6 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.51 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.51 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.532 ' HA ' HD22 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 10.4 mmtt . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 11' ' ' CYS . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.683 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.643 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 30.9 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.517 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HD3' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.649 0.262 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' SG ' HD22 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HA ' HG13 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD21 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.549 ' HB3' HD21 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.719 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.715 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.715 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.594 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.478 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.78 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.78 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.615 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 54' ' ' SER . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.702 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.702 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.613 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD21 ' A' ' 18' ' ' LEU . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.906 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 HD12 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.536 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD12 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.906 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.683 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.613 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HA ' HD21 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.237 0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD13 ' HH ' ' A' ' 36' ' ' TYR . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HH ' HD13 ' A' ' 34' ' ' LEU . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HG3' HD13 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? . . . . . 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.708 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD12 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 HD12 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' OH ' ' HE2' ' A' ' 45' ' ' MET . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' HG21 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' OH ' ' A' ' 36' ' ' TYR . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.54 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.729 ' HG1' ' HB1' ' A' ' 32' ' ' ALA . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.617 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.617 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.729 ' HB1' ' HG1' ' A' ' 14' ' ' THR . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HA ' HD23 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.804 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.584 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HA ' HD21 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.496 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt . . . . . 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.703 0.287 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HB3' HD23 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 52' ' ' PRO . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.447 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HA ' HD22 ' A' ' 34' ' ' LEU . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 27.3 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.703 0.287 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 25' ' ' GLN . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.728 0.299 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.491 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HA ' HD21 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.493 ' NE2' HG23 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ2' ' HG3' ' A' ' 24' ' ' LYS . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.522 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 43' ' ' PRO . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HA ' HD12 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.534 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 9.2 tmtm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.729 ' HG ' HD13 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' HG ' ' A' ' 11' ' ' CYS . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 64.9 t60 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 21' ' ' HIS . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.432 HG21 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.489 ' HA ' HD21 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HB3' HD21 ' A' ' 53' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' HG11 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.637 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.457 ' HH ' ' HG3' ' A' ' 47' ' ' GLU . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.637 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG3' ' HH ' ' A' ' 36' ' ' TYR . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.542 0.21 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -80.12 71.08 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.857 0.837 . . . . 0.0 111.822 -176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -137.86 158.23 44.77 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.701 ' H ' ' HB3' ' A' ' 7' ' ' ASP . 99.3 mttt 64.36 13.88 8.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 123.634 0.584 . . . . 0.0 111.176 -168.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -102.27 -71.37 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -88.56 -9.86 50.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 0.0 108.854 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.701 ' HB3' ' H ' ' A' ' 4' ' ' LYS . 30.2 t70 -99.21 61.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.27 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.71 27.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.231 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.79 120.62 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -135.12 161.02 40.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HG ' HD21 ' A' ' 18' ' ' LEU . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD21 ' HG ' ' A' ' 11' ' ' CYS . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.486 ' HE3' HD23 ' A' ' 61' ' ' LEU . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HA ' HD21 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -68.57 -25.14 64.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 14.71 4.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 28' ' ' TRP . 96.9 mt -111.05 21.07 16.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.978 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.3 -23.01 62.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.051 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -151.92 173.58 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.61 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 67' ' ' HIS . 92.1 m-70 -61.1 133.01 55.58 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.372 0.42 . . . . 0.0 110.022 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -109.71 117.35 33.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.095 0.474 . . . . 0.0 110.528 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.2 t60 64.15 27.1 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.709 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' HB2' ' HB3' ' A' ' 64' ' ' HIS . 18.6 t-80 -83.7 -20.45 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.204 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -140.45 102.72 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.02 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -95.8 66.7 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -132.66 42.43 3.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -169.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -121.42 -49.77 2.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HA ' ' HG ' ' A' ' 9' ' ' LEU . 4.2 pp -70.84 -25.8 63.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.807 0.336 . . . . 0.0 111.609 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.56 -22.55 47.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.83 0.824 . . . . 0.0 110.049 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.453 HG21 ' O ' ' A' ' 8' ' ' ILE . 30.6 mm -96.75 7.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.14 -174.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.724 ' HB3' HD13 ' A' ' 18' ' ' LEU . 89.9 mt -72.79 110.53 7.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.31 0.576 . . . . 0.0 109.768 175.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m -123.23 152.99 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.22 -174.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 67.2 t60 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.411 ' CE3' HD22 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HG3' HD13 ' A' ' 61' ' ' LEU . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HD2' HD11 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.62 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.62 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.53 HD11 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.93 -47.83 84.17 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.63 52.02 0.93 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.886 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 HD13 ' HG3' ' A' ' 30' ' ' ARG . 74.7 mt -87.38 21.85 2.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.466 . . . . 0.0 110.987 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 58.76 -173.73 0.1 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.875 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 64.85 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.817 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.16 154.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -122.78 126.17 46.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -81.92 123.92 29.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 111.45 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.71 135.35 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.491 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.073 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.94 104.47 13.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.086 0.47 . . . . 0.0 110.552 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HB2' HD23 ' A' ' 6' ' ' LEU . 68.2 mttm -138.73 174.21 10.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.559 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -120.15 -178.09 3.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 79.3 t80 75.15 -7.47 1.76 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.686 0.616 . . . . 0.0 110.796 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 3' ' ' LYS . 3.0 pp -89.41 -17.27 29.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.026 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -91.42 16.78 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.466 0.65 . . . . 0.0 110.151 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 HG13 ' HG ' ' A' ' 9' ' ' LEU . 43.3 pt -74.9 -27.94 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.232 0.539 . . . . 0.0 110.163 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.536 HD23 ' HG2' ' A' ' 43' ' ' PRO . 60.9 mt -100.34 112.0 24.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.398 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 166.28 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.201 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.59 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.917 HD12 HD12 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.917 HD12 HD12 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.615 ' HD2' HD13 ' A' ' 61' ' ' LEU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.59 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? -79.49 -51.47 9.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.77 53.59 0.69 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -168.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD13 ' HD2' ' A' ' 30' ' ' ARG . 2.5 pt? -93.67 3.62 55.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.979 0.895 . . . . 0.0 109.814 173.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 152.98 21.66 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.71 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -90.44 23.92 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.16 0.505 . . . . 0.0 110.604 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -59.26 4.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.33 171.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.48 105.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.948 0.78 . . . . 0.0 110.253 174.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' HB3' ' H ' ' A' ' 67' ' ' HIS . 13.6 t-160 -107.93 -84.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.401 ' H ' ' HB3' ' A' ' 66' ' ' HIS . 23.7 t-80 -116.9 -2.51 11.77 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.242 0.674 0 CA-C-N 113.989 -1.459 . . . . 0.0 108.329 179.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.316 0.579 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.4 mp0 -68.11 143.94 55.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 177.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -116.28 174.82 5.85 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' ' 6' ' ' LEU . 19.8 pttp 45.38 44.67 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.721 1.209 . . . . 0.0 112.443 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -69.0 -15.83 63.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.548 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD21 ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -82.17 -20.46 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 176.12 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.544 ' N ' HD21 ' A' ' 6' ' ' LEU . 19.9 t70 -70.19 -27.74 64.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.57 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 pp -85.99 3.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.424 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.19 116.32 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.02 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.6 171.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.233 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.677 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.705 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.907 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 61' ' ' LEU . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.705 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' HH ' HD21 ' A' ' 18' ' ' LEU . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB3' HD23 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HG2' ' OE1' ' A' ' 62' ' ' GLU . 22.1 mttm -77.36 -7.94 56.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.13 14.81 14.97 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.496 0.665 . . . . 0.0 109.984 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 28' ' ' TRP . 95.2 mt -124.01 5.68 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.565 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE1' ' HG2' ' A' ' 59' ' ' LYS . 9.7 pt-20 -102.28 132.59 48.14 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.701 176.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.15 111.93 24.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 -170.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -67.95 -18.72 64.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -164.47 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -154.76 137.05 14.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -98.4 92.88 5.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.772 -176.833 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.78 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 1.8 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.148 0.499 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -96.13 98.08 10.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.413 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -135.94 150.4 49.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.328 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 59.59 81.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.192 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -147.58 -52.3 0.2 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.667 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -96.19 5.33 51.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.27 -87.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.087 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.2 pt 42.45 37.06 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.911 0.884 . . . . 0.0 112.833 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.87 123.53 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.6 m -132.64 151.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.6 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.51 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.51 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.532 ' HA ' HD22 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 10.4 mmtt -81.01 -11.27 59.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.71 44.61 1.86 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.094 0.473 . . . . 0.0 111.283 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HA ' ' HZ3' ' A' ' 28' ' ' TRP . 2.9 pp -83.47 6.71 19.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 165.42 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.64 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -84.3 -20.95 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.828 0.347 . . . . 0.0 111.157 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.51 53.93 1.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.996 0.427 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -70.12 -25.35 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.11 14.0 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.071 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.34 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.924 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.241 0.628 0 CA-C-O 118.444 -0.788 . . . . 0.0 109.384 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.51 79.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -89.81 -8.11 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.41 0.624 . . . . 0.0 110.131 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 7' ' ' ASP . 65.9 mttm -80.95 20.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.88 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -73.18 -31.76 64.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.906 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.06 -20.05 5.44 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.835 178.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 9.7 t70 -67.82 -18.69 64.92 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 4' ' ' LYS . 23.4 pt -79.18 35.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 98.2 mt -75.49 126.38 30.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 110.414 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.0 158.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.041 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 11' ' ' CYS . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.548 ' HE3' HD23 ' A' ' 61' ' ' LEU . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.683 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.643 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -69.0 -16.64 63.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' HIS . . . -98.97 17.57 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.005 0.431 . . . . 0.0 111.83 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD23 ' HE3' ' A' ' 28' ' ' TRP . 92.7 mt -117.31 -30.29 5.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.192 0.996 . . . . 0.0 110.617 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 79.7 mm-40 -126.59 148.38 49.78 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.26 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 42.7 t60 75.07 -47.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.665 0.603 . . . . 0.0 111.764 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 60' ' ' ALA . 12.1 t-80 -158.13 128.74 6.28 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.238 -0.288 . . . . 0.0 110.356 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -128.21 178.11 6.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.55 0.214 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -83.71 -67.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -125.37 -34.8 2.66 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.241 0.622 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.566 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.451 0.643 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.14 155.08 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.369 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.14 107.95 19.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.564 0.697 . . . . 0.0 110.408 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -137.31 -15.57 1.45 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.197 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -92.64 -27.03 17.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.548 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -114.69 -18.84 11.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.269 0.557 . . . . 0.0 110.857 179.415 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -16.33 62.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.033 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.73 2.98 2.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 111.606 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.8 mt -79.64 121.92 25.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 30.9 m -106.4 141.16 22.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.517 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HD3' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -76.49 -24.57 53.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.33 39.77 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -85.15 1.29 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.032 0.92 . . . . 0.0 109.609 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -93.74 132.36 38.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -81.47 114.14 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.322 0.582 . . . . 0.0 110.759 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.85 19.35 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.3 m80 75.32 166.8 0.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.14 0.9 . . . . 0.0 109.047 -169.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.81 140.86 29.16 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.212 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.5 t60 65.69 71.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.052 -167.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.252 174.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 1.4 mpt? . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.959 0.409 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.4 22.75 15.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.065 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HG2' ' HB3' ' A' ' 1' ' ' MET . 15.8 ptpt -84.81 115.21 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.595 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -157.22 38.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.263 0.554 . . . . 0.0 110.48 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -164.34 -62.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.41 5.94 18.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.116 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 3.3 t70 -149.64 77.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.0 pt -139.5 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.841 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.74 137.22 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.659 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m -121.67 165.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.616 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' SG ' HD22 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HA ' HG13 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD21 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.549 ' HB3' HD21 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.719 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.715 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.715 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.594 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.478 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt -66.61 -22.16 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.31 43.27 0.94 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.489 0.661 . . . . 0.0 110.034 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.21 6.96 10.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.223 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 56.91 99.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.642 1.211 . . . . 0.0 111.467 -174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.17 -44.3 9.33 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.833 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -107.78 115.82 30.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.823 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.46 80.06 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.224 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 53.87 78.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.657 0.741 . . . . 0.0 111.223 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 64' ' ' HIS . 80.3 t60 -147.03 126.82 13.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.202 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.418 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 64.75 -173.49 0.18 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.974 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.02 -163.81 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -94.93 19.69 9.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.244 0.545 . . . . 0.0 110.216 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -68.76 -29.55 67.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.641 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -89.6 -14.33 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.812 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.38 18.42 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.771 0.796 . . . . 0.0 109.985 -176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.89 -15.11 19.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.0 mt -104.5 108.04 19.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -117.76 168.61 9.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.439 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.78 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD2' HD13 ' A' ' 61' ' ' LEU . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.78 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' HD21 ' A' ' 61' ' ' LEU . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -57.88 -33.88 69.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.44 47.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.255 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 58' ' ' LEU . 1.5 pt? -84.8 14.53 4.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.64 0.734 . . . . 0.0 111.346 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.54 140.04 40.97 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.833 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.39 121.92 39.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.74 112.71 24.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.454 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -91.2 113.5 25.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 0.0 111.655 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -157.0 -29.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.728 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.34 152.17 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.341 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.424 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -103.83 97.24 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.636 -170.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.63 20.17 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.14 0.971 . . . . 0.0 109.18 172.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 55.1 tptt -71.74 62.78 0.42 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.266 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.32 -38.52 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.306 0.574 . . . . 0.0 110.217 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.95 -3.15 49.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.265 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.554 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 15.7 t70 -80.37 -16.02 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.632 -176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -98.73 16.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.701 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.4 135.7 53.59 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.105 0.479 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.19 167.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.828 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.702 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.702 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.613 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -67.67 -29.52 68.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.12 15.02 3.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.321 0.582 . . . . 0.0 111.271 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD22 ' HE3' ' A' ' 28' ' ' TRP . 79.3 mt -115.17 8.09 15.5 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.535 176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 68.29 138.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.3 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.36 93.12 4.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -61.22 92.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -151.37 142.89 23.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.616 -167.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -92.83 117.84 30.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 43.0 t-80 -130.66 73.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 110.734 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.596 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.7 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.289 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -87.05 50.0 1.93 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.803 0.811 . . . . 0.0 110.634 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HZ3' ' C ' ' A' ' 68' ' ' HIS . 40.8 mttp -125.97 6.37 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.869 171.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -111.27 144.28 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.044 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 8' ' ' ILE . 58.7 t80 75.39 -49.44 0.63 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.635 0.774 . . . . 0.0 112.244 174.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.63 -30.63 63.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.973 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.38 26.71 9.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.445 0.64 . . . . 0.0 110.968 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 5' ' ' PHE . 42.7 pt -85.88 16.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.373 0.606 . . . . 0.0 110.068 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.5 mt -72.04 137.61 47.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.291 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -114.0 155.96 15.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.827 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD21 ' A' ' 18' ' ' LEU . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.906 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 HD12 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.536 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD12 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.906 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.683 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.613 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HA ' HD21 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt -67.37 -22.13 65.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.56 13.0 6.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.653 0.739 . . . . 0.0 110.249 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.7 mt -123.52 10.99 9.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 108.505 172.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.84 -66.24 0.98 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.771 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -158.26 115.59 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -171.04 -67.04 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.916 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -162.4 124.96 2.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.114 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -126.69 33.45 4.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -56.28 122.39 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.254 -175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' C ' ' HZ3' ' A' ' 3' ' ' LYS . 65.4 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.102 0.876 . . . . 0.0 111.045 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.38 99.53 4.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.109 0.48 . . . . 0.0 111.678 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -134.47 13.47 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.046 172.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -78.28 56.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.06 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -150.15 -47.08 0.13 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.206 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -121.02 -1.42 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.004 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -128.2 52.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.533 0.682 . . . . 0.0 110.848 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -135.89 19.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.037 174.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.66 -154.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.512 -175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m -53.65 145.98 3.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.428 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD13 ' HH ' ' A' ' 36' ' ' TYR . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' HH ' HD13 ' A' ' 34' ' ' LEU . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HG3' HD13 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' A' ' 65' ' ' HIS . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? -64.22 -51.15 65.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 62' ' ' GLU . . . -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.833 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 61' ' ' LEU . 15.7 mt -79.37 28.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.858 0.361 . . . . 0.0 111.483 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 60' ' ' ALA . 4.1 mp0 -65.82 -51.17 61.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -175.7 -38.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.64 139.38 30.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' HB2' ' HG2' ' A' ' 57' ' ' GLU . 3.9 p80 -150.06 96.95 2.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 110.478 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -90.16 100.94 13.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -86.09 -24.19 26.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.864 -170.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.337 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -92.31 71.88 5.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.473 0.654 . . . . 0.0 109.648 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -161.29 168.29 24.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.879 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 50.2 tttp 67.92 8.61 6.58 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.534 0.683 . . . . 0.0 110.568 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -67.43 -17.02 64.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.8 -2.52 32.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.352 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.879 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -112.94 19.54 17.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.192 0.996 . . . . 0.0 109.765 -177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.0 pt -105.28 3.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.876 173.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.76 125.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.359 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.47 158.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.875 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.708 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD12 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 HD12 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.728 ' HE3' HD23 ' A' ' 61' ' ' LEU . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' OH ' ' HE2' ' A' ' 45' ' ' MET . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' HG21 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' OH ' ' A' ' 36' ' ' TYR . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.54 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.51 -24.49 62.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.83 16.33 3.4 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD23 ' HE3' ' A' ' 28' ' ' TRP . 73.4 mt -113.17 15.45 19.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.082 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.75 157.54 33.75 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.318 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -161.32 28.34 0.13 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 69.13 -52.84 0.59 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.699 -170.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -168.39 161.46 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.16 88.56 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -61.11 -34.17 74.54 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.069 173.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.33 32.08 1.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -164.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.09 81.76 7.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.317 1.056 . . . . 0.0 109.108 169.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 68.6 tttt -87.73 -162.7 0.84 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.307 -173.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.599 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 94.8 m-85 -63.54 -9.17 11.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 111.221 177.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' A' ' 4' ' ' LYS . 3.0 pp -82.0 -8.01 59.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.09 0.472 . . . . 0.0 110.572 175.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 9' ' ' LEU . 19.0 t70 -98.89 24.21 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.844 0.831 . . . . 0.0 110.166 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -79.07 11.38 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.428 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' A' ' 18' ' ' LEU . 78.5 mt -62.94 122.87 17.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.595 -174.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -139.78 147.98 23.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.432 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.729 ' HG1' ' HB1' ' A' ' 32' ' ' ALA . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.617 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.596 ' HB3' HD11 ' A' ' 61' ' ' LEU . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.617 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.729 ' HB1' ' HG1' ' A' ' 14' ' ' THR . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HA ' HD23 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.804 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.584 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HA ' HD21 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.496 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -66.12 -25.49 67.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . . . -85.01 14.54 4.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 0.0 111.082 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 28' ' ' TRP . 94.7 mt -127.09 20.24 6.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.3 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -122.64 -62.7 1.34 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.18 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -119.46 -174.05 2.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.128 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -67.53 93.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 60' ' ' ALA . 20.8 t-80 -130.2 8.13 5.09 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.031 -176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -76.11 69.29 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.866 0.841 . . . . 0.0 109.889 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -178.23 131.94 0.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.975 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.749 -1.119 . . . . 0.0 110.797 179.632 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.113 0.482 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.0 18.9 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.358 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -137.77 116.79 12.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.404 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -128.83 -16.2 4.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.38 0.609 . . . . 0.0 110.45 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.368 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -99.76 4.89 45.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -176.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.75 -18.12 14.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 0.0 110.62 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 pt -84.0 46.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.376 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.15 117.31 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.741 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.23 165.7 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.29 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HB3' HD23 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 52' ' ' PRO . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.447 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HA ' HD22 ' A' ' 34' ' ' LEU . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -65.37 -39.79 92.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 46.1 1.18 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.748 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD13 ' HD3' ' A' ' 30' ' ' ARG . 2.6 pt? -77.8 -13.6 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG2' ' H ' ' A' ' 64' ' ' HIS . 29.0 tt0 65.29 143.09 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.936 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -103.47 8.05 37.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.075 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.459 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 28.3 m170 -132.35 177.91 7.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.252 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.37 118.79 6.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -41.37 110.98 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.478 1.112 . . . . 0.0 112.455 -172.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -70.45 163.25 27.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.213 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.511 174.037 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.93 103.55 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.807 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -78.17 81.99 4.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.963 0.887 . . . . 0.0 112.274 -172.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.19 9.23 5.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.389 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -103.92 -25.39 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.831 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.29 -29.08 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.462 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.51 51.85 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.156 0.979 . . . . 0.0 109.095 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.4 pt -102.31 30.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.406 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 18' ' ' LEU . 71.2 mt -61.05 118.88 7.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 27.3 m -127.81 160.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.475 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 25' ' ' GLN . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.96 -21.3 64.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.5 40.77 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD13 ' HG3' ' A' ' 62' ' ' GLU . 4.2 pp -77.42 7.4 5.43 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 112.408 -172.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.563 ' HG3' HD13 ' A' ' 61' ' ' LEU . 44.4 mt-10 -122.72 47.11 2.01 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.119 0.961 . . . . 0.0 110.425 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 76.24 -62.21 0.43 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.021 175.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -110.56 -85.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.739 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.85 -68.76 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 67' ' ' HIS . 2.6 p-80 -81.61 -30.97 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -171.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 17.7 t-160 66.38 116.17 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.519 0.512 . . . . 0.0 109.956 -174.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 44.8 t-80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.984 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 121.03 0.443 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.686 ' HB2' ' HB2' ' A' ' 5' ' ' PHE . 1.2 pm0 -97.59 87.85 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.281 0.562 . . . . 0.0 111.34 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 13.3 tmtt? -89.84 -36.0 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.626 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 49.1 tptt -75.35 -10.91 59.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.55 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.686 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 50.7 t80 -70.66 -38.29 73.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.956 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -98.61 4.09 48.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.226 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.626 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 12.3 t70 -94.62 4.98 53.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.86 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.6 pt -80.8 41.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.071 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.23 144.5 56.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.95 156.76 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.743 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.728 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.491 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HA ' HD21 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -70.27 -32.28 70.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.45 49.12 1.45 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.49 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.728 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 2.7 pt? -74.47 -6.42 48.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.615 0.722 . . . . 0.0 110.384 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' HG3' ' HG ' ' A' ' 61' ' ' LEU . 46.7 mt-10 -126.54 143.92 51.05 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.228 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 58.49 71.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -81.67 102.34 10.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.042 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -57.49 130.0 44.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -88.86 147.35 24.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.893 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -67.81 -50.55 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.977 -177.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.728 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 18.6 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.728 ' H ' ' HG2' ' A' ' 1' ' ' MET . 40.4 tt0 -70.38 83.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.608 . . . . 0.0 111.12 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.19 12.13 5.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.495 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.81 50.25 0.84 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.48 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.25 -55.01 2.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.9 -22.31 23.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.76 171.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -92.21 55.5 2.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.226 1.012 . . . . 0.0 109.61 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 pt -110.8 23.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.457 170.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 74.8 mt -49.56 121.95 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.623 -172.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -133.38 147.33 31.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.034 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.493 ' NE2' HG23 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.683 ' HB3' HD13 ' A' ' 61' ' ' LEU . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.522 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 43' ' ' PRO . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HA ' HD12 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.534 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 9.2 tmtm? -67.54 -29.51 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 16.21 2.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.932 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 28' ' ' TRP . 95.5 mt -130.28 24.11 5.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.218 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.28 157.35 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.504 -176.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.95 -20.33 63.33 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.832 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -127.36 100.04 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 141.13 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.995 0.426 . . . . 0.0 111.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -152.72 123.19 7.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -75.95 172.72 12.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.326 -175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.296 179.335 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.04 79.05 2.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -169.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 41.0 ttmt -163.15 118.54 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 9.8 tptp -97.64 12.64 32.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 71.3 t80 -69.3 -17.09 63.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.293 0.568 . . . . 0.0 110.911 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 6' ' ' LEU . 2.4 mm? -74.1 -48.1 31.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.524 1.154 . . . . 0.0 108.832 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 38.2 t70 -80.19 45.22 0.73 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 112.869 -1.969 . . . . 0.0 111.28 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.9 pt -107.71 13.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 122.005 -0.434 . . . . 0.0 110.991 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.0 132.46 44.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 111.234 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.91 156.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.729 ' HG ' HD13 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' HG ' ' A' ' 11' ' ' CYS . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.778 ' HG3' HD21 ' A' ' 61' ' ' LEU . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 64.9 t60 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' HD2' ' A' ' 21' ' ' HIS . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.432 HG21 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.489 ' HA ' HD21 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -64.0 -23.93 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.5 13.79 30.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.778 HD21 ' HG3' ' A' ' 19' ' ' GLU . 93.6 mt -124.7 4.5 8.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.306 0.574 . . . . 0.0 111.272 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -101.37 -18.26 16.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.435 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' O ' ' HD2' ' A' ' 65' ' ' HIS . 21.0 t-80 -170.49 131.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.035 175.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.73 108.62 8.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.018 0.437 . . . . 0.0 110.586 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.475 ' HD2' ' O ' ' A' ' 63' ' ' HIS . 10.6 p80 -125.65 50.06 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.584 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 178.75 118.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.528 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -110.23 -179.1 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.911 0.386 . . . . 0.0 110.407 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.505 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -84.52 162.97 19.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -176.214 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HZ3' ' HB2' ' A' ' 3' ' ' LYS . 3.1 ttmp? -116.22 157.34 25.04 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 93.2 mttt 66.66 23.5 10.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.711 0.632 . . . . 0.0 111.011 -174.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -79.03 -31.41 44.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 0.0 109.222 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.48 4.68 53.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.669 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -97.9 -14.71 20.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.872 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 pt -90.97 25.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.21 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.29 118.94 10.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -133.3 157.85 42.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.329 -178.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' HG11 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.637 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.457 ' HH ' ' HG3' ' A' ' 47' ' ' GLU . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.637 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG3' ' HH ' ' A' ' 36' ' ' TYR . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -67.93 -31.71 71.66 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.32 28.87 3.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.686 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 mt -81.99 1.36 35.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.012 0.911 . . . . 0.0 109.811 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.58 136.55 46.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.066 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -110.7 133.98 52.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.287 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.14 94.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.82 117.72 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.13 -77.45 0.13 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 109.826 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -150.52 -43.02 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.559 169.156 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.628 0.251 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 29' ' ' SER . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 27' ' ' LEU . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' HE22 ' A' ' 25' ' ' GLN . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 22' ' ' GLN . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.468 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.862 0.363 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HD2' HD13 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HA ' HD13 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.634 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 58' ' ' LEU . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD13 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? . . . . . 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.517 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.612 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.705 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.724 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.432 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 42' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 mttm . . . . . 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.523 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.51 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 27' ' ' LEU . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.578 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HB2' HD23 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.686 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.575 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 58' ' ' LEU . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.438 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.527 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.649 0.262 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG12 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' HB3' HD23 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.726 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.723 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.474 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 58' ' ' LEU . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.723 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.816 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 27' ' ' LEU . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.816 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 54' ' ' SER . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.721 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.622 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.508 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.929 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.574 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.929 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.7 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.524 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.237 0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 27' ' ' LEU . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD13 HD12 ' A' ' 18' ' ' LEU . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? . . . . . 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.468 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.639 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.823 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.823 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt . . . . . 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.703 0.287 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.574 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.703 0.287 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' HA3' ' OE1' ' A' ' 31' ' ' GLN . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HB3' HD23 ' A' ' 27' ' ' LEU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.792 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 58' ' ' LEU . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 27' ' ' LEU . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.586 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' HD12 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.728 0.299 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' HB3' HD23 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 57' ' ' GLU . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB3' HD21 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.495 ' NE2' HG21 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 24' ' ' LYS . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' LEU . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 11' ' ' CYS . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 9.2 tmtm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD21 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 27' ' ' LEU . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HA ' HD21 ' A' ' 58' ' ' LEU . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 33' ' ' LYS . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' HG12 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.646 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HD23 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.542 0.21 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.8 pm0 -80.12 71.08 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.857 0.837 . . . . 0.0 111.822 -176.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -137.86 158.23 44.77 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' H ' ' HB3' ' A' ' 7' ' ' ASP . 99.3 mttt 64.36 13.88 8.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 123.634 0.584 . . . . 0.0 111.176 -168.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -102.27 -71.37 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.4 pt? -88.56 -9.86 50.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 0.0 108.854 170.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.758 ' HB3' ' H ' ' A' ' 4' ' ' LYS . 30.2 t70 -99.21 61.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.27 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.71 27.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.231 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.79 120.62 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -135.12 161.02 40.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 29' ' ' SER . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 27' ' ' LEU . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' HE22 ' A' ' 25' ' ' GLN . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 22' ' ' GLN . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' HE3' HD21 ' A' ' 61' ' ' LEU . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.468 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -68.57 -25.14 64.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 14.71 4.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 28' ' ' TRP . 96.9 mt -111.05 21.07 16.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.978 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.3 -23.01 62.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.051 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -151.92 173.58 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.61 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 67' ' ' HIS . 92.1 m-70 -61.1 133.01 55.58 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.372 0.42 . . . . 0.0 110.022 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -109.71 117.35 33.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.095 0.474 . . . . 0.0 110.528 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.2 t60 64.15 27.1 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.709 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 64' ' ' HIS . 18.6 t-80 -83.7 -20.45 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.204 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -140.45 102.72 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.02 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -95.8 66.7 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -132.66 42.43 3.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -169.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -121.42 -49.77 2.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' A' ' 9' ' ' LEU . 4.2 pp -70.84 -25.8 63.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.807 0.336 . . . . 0.0 111.609 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.56 -22.55 47.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.83 0.824 . . . . 0.0 110.049 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 8' ' ' ILE . 30.6 mm -96.75 7.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.14 -174.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' HB3' HD12 ' A' ' 18' ' ' LEU . 89.9 mt -72.79 110.53 7.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.31 0.576 . . . . 0.0 109.768 175.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m -123.23 152.99 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.22 -174.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HG3' HD13 ' A' ' 61' ' ' LEU . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HD2' HD13 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HA ' HD13 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.634 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 58' ' ' LEU . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD13 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.93 -47.83 84.17 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.63 52.02 0.93 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.886 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD13 ' HG3' ' A' ' 30' ' ' ARG . 74.7 mt -87.38 21.85 2.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.466 . . . . 0.0 110.987 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 58.76 -173.73 0.1 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.875 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 64.85 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.817 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.16 154.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -122.78 126.17 46.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -81.92 123.92 29.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 111.45 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.71 135.35 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.491 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.073 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.94 104.47 13.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.086 0.47 . . . . 0.0 110.552 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HB2' HD23 ' A' ' 6' ' ' LEU . 68.2 mttm -138.73 174.21 10.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.559 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -120.15 -178.09 3.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 79.3 t80 75.15 -7.47 1.76 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.686 0.616 . . . . 0.0 110.796 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 3' ' ' LYS . 3.0 pp -89.41 -17.27 29.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.026 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' N ' HD12 ' A' ' 6' ' ' LEU . 12.1 t70 -91.42 16.78 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.466 0.65 . . . . 0.0 110.151 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG13 ' HG ' ' A' ' 9' ' ' LEU . 43.3 pt -74.9 -27.94 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.232 0.539 . . . . 0.0 110.163 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 43' ' ' PRO . 60.9 mt -100.34 112.0 24.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.398 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 166.28 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.201 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 61' ' ' LEU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.612 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? -79.49 -51.47 9.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.77 53.59 0.69 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -168.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD13 ' HD2' ' A' ' 30' ' ' ARG . 2.5 pt? -93.67 3.62 55.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.979 0.895 . . . . 0.0 109.814 173.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 152.98 21.66 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.71 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -90.44 23.92 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.16 0.505 . . . . 0.0 110.604 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -59.26 4.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.33 171.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.48 105.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.948 0.78 . . . . 0.0 110.253 174.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -107.93 -84.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -116.9 -2.51 11.77 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.242 0.674 0 CA-C-N 113.989 -1.459 . . . . 0.0 108.329 179.111 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.316 0.579 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.4 mp0 -68.11 143.94 55.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 177.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -116.28 174.82 5.85 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.8 pttp 45.38 44.67 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.721 1.209 . . . . 0.0 112.443 -175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -69.0 -15.83 63.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.548 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.771 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.17 -20.46 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 176.12 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.566 ' N ' HD22 ' A' ' 6' ' ' LEU . 19.9 t70 -70.19 -27.74 64.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.57 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 8' ' ' ILE . 2.9 pp -85.99 3.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.424 -178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.19 116.32 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.02 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.6 171.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.233 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.705 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.586 ' HB3' HD11 ' A' ' 61' ' ' LEU . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.724 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.432 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 42' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HG2' ' OE1' ' A' ' 62' ' ' GLU . 22.1 mttm -77.36 -7.94 56.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.13 14.81 14.97 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.496 0.665 . . . . 0.0 109.984 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 28' ' ' TRP . 95.2 mt -124.01 5.68 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.565 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.511 ' OE1' ' HG2' ' A' ' 59' ' ' LYS . 9.7 pt-20 -102.28 132.59 48.14 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.701 176.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.15 111.93 24.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 -170.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -67.95 -18.72 64.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -164.47 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -154.76 137.05 14.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -98.4 92.88 5.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.772 -176.833 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 1.8 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.148 0.499 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -96.13 98.08 10.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.413 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -135.94 150.4 49.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.328 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 59.59 81.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.192 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -147.58 -52.3 0.2 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.667 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -96.19 5.33 51.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.27 -87.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.087 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.2 pt 42.45 37.06 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.911 0.884 . . . . 0.0 112.833 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.87 123.53 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.64 151.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.6 -174.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.812 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.51 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.01 -11.27 59.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.71 44.61 1.86 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.094 0.473 . . . . 0.0 111.283 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 ' HA ' ' HZ3' ' A' ' 28' ' ' TRP . 2.9 pp -83.47 6.71 19.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 165.42 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.64 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -84.3 -20.95 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.828 0.347 . . . . 0.0 111.157 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.51 53.93 1.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.996 0.427 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -70.12 -25.35 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.11 14.0 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.071 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.34 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.924 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.241 0.628 0 CA-C-O 118.444 -0.788 . . . . 0.0 109.384 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.51 79.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -89.81 -8.11 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.41 0.624 . . . . 0.0 110.131 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 7' ' ' ASP . 65.9 mttm -80.95 20.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.88 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -73.18 -31.76 64.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.906 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.06 -20.05 5.44 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.835 178.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.705 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 9.7 t70 -67.82 -18.69 64.92 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 pt -79.18 35.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 98.2 mt -75.49 126.38 30.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 110.414 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.0 158.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.041 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 27' ' ' LEU . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.578 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.558 ' HE3' HD21 ' A' ' 61' ' ' LEU . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HB2' HD23 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.686 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.575 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -69.0 -16.64 63.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 64' ' ' HIS . . . -98.97 17.57 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.005 0.431 . . . . 0.0 111.83 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD21 ' HE3' ' A' ' 28' ' ' TRP . 92.7 mt -117.31 -30.29 5.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.192 0.996 . . . . 0.0 110.617 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 79.7 mm-40 -126.59 148.38 49.78 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.26 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 42.7 t60 75.07 -47.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.665 0.603 . . . . 0.0 111.764 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' ALA . 12.1 t-80 -158.13 128.74 6.28 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.238 -0.288 . . . . 0.0 110.356 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -128.21 178.11 6.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.55 0.214 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -83.71 -67.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -125.37 -34.8 2.66 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.241 0.622 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.566 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.451 0.643 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.14 155.08 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.369 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.14 107.95 19.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.564 0.697 . . . . 0.0 110.408 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -137.31 -15.57 1.45 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.197 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -92.64 -27.03 17.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.548 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -114.69 -18.84 11.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.269 0.557 . . . . 0.0 110.857 179.415 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -16.33 62.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.033 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.73 2.98 2.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 111.606 -178.096 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.8 mt -79.64 121.92 25.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.4 141.16 22.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 58' ' ' LEU . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.527 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -76.49 -24.57 53.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.33 39.77 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -85.15 1.29 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.032 0.92 . . . . 0.0 109.609 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -93.74 132.36 38.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -81.47 114.14 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.322 0.582 . . . . 0.0 110.759 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.85 19.35 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.3 m80 75.32 166.8 0.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.14 0.9 . . . . 0.0 109.047 -169.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.81 140.86 29.16 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.212 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.5 t60 65.69 71.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.052 -167.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.252 174.424 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 1.4 mpt? . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.959 0.409 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.4 22.75 15.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.065 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 1' ' ' MET . 15.8 ptpt -84.81 115.21 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.595 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -157.22 38.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.263 0.554 . . . . 0.0 110.48 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -164.34 -62.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.41 5.94 18.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.116 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 3.3 t70 -149.64 77.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.0 pt -139.5 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.841 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.74 137.22 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.659 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m -121.67 165.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.616 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG12 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' HB3' HD23 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.726 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.723 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.474 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 58' ' ' LEU . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.723 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt -66.61 -22.16 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.31 43.27 0.94 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.489 0.661 . . . . 0.0 110.034 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.21 6.96 10.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.223 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 56.91 99.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.642 1.211 . . . . 0.0 111.467 -174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.17 -44.3 9.33 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.833 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -107.78 115.82 30.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.823 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.46 80.06 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.224 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 53.87 78.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.657 0.741 . . . . 0.0 111.223 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' HIS . 80.3 t60 -147.03 126.82 13.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.202 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.418 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 64.75 -173.49 0.18 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.974 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.02 -163.81 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.742 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -94.93 19.69 9.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.244 0.545 . . . . 0.0 110.216 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -68.76 -29.55 67.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.641 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.5 pt? -89.6 -14.33 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.812 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.38 18.42 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.771 0.796 . . . . 0.0 109.985 -176.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.89 -15.11 19.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.0 mt -104.5 108.04 19.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -117.76 168.61 9.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.439 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.816 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 27' ' ' LEU . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 61' ' ' LEU . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.816 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 ' O ' HD22 ' A' ' 61' ' ' LEU . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -57.88 -33.88 69.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.44 47.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.255 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 58' ' ' LEU . 1.5 pt? -84.8 14.53 4.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.64 0.734 . . . . 0.0 111.346 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.54 140.04 40.97 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.833 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.39 121.92 39.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.74 112.71 24.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.454 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -91.2 113.5 25.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 0.0 111.655 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -157.0 -29.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.728 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.34 152.17 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.341 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.424 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -103.83 97.24 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.636 -170.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.63 20.17 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.14 0.971 . . . . 0.0 109.18 172.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 55.1 tptt -71.74 62.78 0.42 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.266 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.32 -38.52 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.306 0.574 . . . . 0.0 110.217 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 3.2 pp -94.95 -3.15 49.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.265 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 15.7 t70 -80.37 -16.02 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.632 -176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -98.73 16.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.701 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.4 135.7 53.59 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.105 0.479 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.19 167.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.828 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.721 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.622 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -67.67 -29.52 68.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.12 15.02 3.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.321 0.582 . . . . 0.0 111.271 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 28' ' ' TRP . 79.3 mt -115.17 8.09 15.5 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.535 176.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 68.29 138.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.3 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.36 93.12 4.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -61.22 92.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -151.37 142.89 23.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.616 -167.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -92.83 117.84 30.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.609 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 43.0 t-80 -130.66 73.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 110.734 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.7 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.289 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -87.05 50.0 1.93 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.803 0.811 . . . . 0.0 110.634 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -125.97 6.37 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.869 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -111.27 144.28 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.044 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' HG12 ' A' ' 8' ' ' ILE . 58.7 t80 75.39 -49.44 0.63 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.635 0.774 . . . . 0.0 112.244 174.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.63 -30.63 63.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.973 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.38 26.71 9.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.445 0.64 . . . . 0.0 110.968 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 5' ' ' PHE . 42.7 pt -85.88 16.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.373 0.606 . . . . 0.0 110.068 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.5 mt -72.04 137.61 47.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.291 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -114.0 155.96 15.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.827 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.508 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.929 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.574 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.929 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.7 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.524 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt -67.37 -22.13 65.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 64' ' ' HIS . . . -84.56 13.0 6.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.653 0.739 . . . . 0.0 110.249 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 19' ' ' GLU . 90.7 mt -123.52 10.99 9.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 108.505 172.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.84 -66.24 0.98 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.771 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -158.26 115.59 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -171.04 -67.04 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.916 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -162.4 124.96 2.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.114 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -126.69 33.45 4.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -56.28 122.39 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.254 -175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.102 0.876 . . . . 0.0 111.045 177.405 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.38 99.53 4.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.109 0.48 . . . . 0.0 111.678 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 48.8 mtmt -134.47 13.47 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.046 172.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -78.28 56.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.06 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -150.15 -47.08 0.13 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.206 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -121.02 -1.42 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.004 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.1 t0 -128.2 52.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.533 0.682 . . . . 0.0 110.848 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -135.89 19.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.037 174.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.66 -154.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.512 -175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m -53.65 145.98 3.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.428 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 27' ' ' LEU . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD13 HD12 ' A' ' 18' ' ' LEU . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 65' ' ' HIS . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? -64.22 -51.15 65.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.833 -173.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.7 mt -79.37 28.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.858 0.361 . . . . 0.0 111.483 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -65.82 -51.17 61.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -175.7 -38.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.64 139.38 30.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 57' ' ' GLU . 3.9 p80 -150.06 96.95 2.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 110.478 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -90.16 100.94 13.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -86.09 -24.19 26.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.864 -170.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.337 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -92.31 71.88 5.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.473 0.654 . . . . 0.0 109.648 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -161.29 168.29 24.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.894 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 50.2 tttp 67.92 8.61 6.58 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.534 0.683 . . . . 0.0 110.568 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -67.43 -17.02 64.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.8 -2.52 32.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.352 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.894 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -112.94 19.54 17.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.192 0.996 . . . . 0.0 109.765 -177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.0 pt -105.28 3.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.876 173.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.76 125.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.359 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.47 158.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.875 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.731 ' HE3' HD21 ' A' ' 61' ' ' LEU . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.468 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.51 -24.49 62.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.83 16.33 3.4 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD21 ' HE3' ' A' ' 28' ' ' TRP . 73.4 mt -113.17 15.45 19.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.082 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 10.5 pt-20 -123.75 157.54 33.75 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.318 176.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -161.32 28.34 0.13 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 69.13 -52.84 0.59 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.699 -170.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -168.39 161.46 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.16 88.56 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -61.11 -34.17 74.54 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.069 173.581 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.33 32.08 1.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -164.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.09 81.76 7.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.317 1.056 . . . . 0.0 109.108 169.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 68.6 tttt -87.73 -162.7 0.84 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.307 -173.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 94.8 m-85 -63.54 -9.17 11.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 111.221 177.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 4' ' ' LYS . 3.0 pp -82.0 -8.01 59.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.09 0.472 . . . . 0.0 110.572 175.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -98.89 24.21 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.844 0.831 . . . . 0.0 110.166 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 8' ' ' ILE . 2.8 pp -79.07 11.38 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.428 175.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' A' ' 18' ' ' LEU . 78.5 mt -62.94 122.87 17.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.595 -174.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -139.78 147.98 23.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.432 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.639 ' HB3' HD11 ' A' ' 61' ' ' LEU . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.639 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.823 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.823 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -66.12 -25.49 67.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . . . -85.01 14.54 4.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 0.0 111.082 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 28' ' ' TRP . 94.7 mt -127.09 20.24 6.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.3 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -122.64 -62.7 1.34 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.18 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -119.46 -174.05 2.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.128 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -67.53 93.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.608 ' HB3' ' HA ' ' A' ' 60' ' ' ALA . 20.8 t-80 -130.2 8.13 5.09 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.031 -176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -76.11 69.29 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.866 0.841 . . . . 0.0 109.889 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -178.23 131.94 0.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.975 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.749 -1.119 . . . . 0.0 110.797 179.632 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.113 0.482 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.0 18.9 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.358 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -137.77 116.79 12.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.404 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -128.83 -16.2 4.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.38 0.609 . . . . 0.0 110.45 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.368 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -99.76 4.89 45.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -176.562 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.75 -18.12 14.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 0.0 110.62 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 pt -84.0 46.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.376 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.15 117.31 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.741 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.23 165.7 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.29 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HD3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.574 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -65.37 -39.79 92.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 46.1 1.18 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.748 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -77.8 -13.6 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 64' ' ' HIS . 29.0 tt0 65.29 143.09 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.936 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -103.47 8.05 37.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.075 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.542 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 28.3 m170 -132.35 177.91 7.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.252 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.37 118.79 6.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -41.37 110.98 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.478 1.112 . . . . 0.0 112.455 -172.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -70.45 163.25 27.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.213 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.511 174.037 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.93 103.55 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.892 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -78.17 81.99 4.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.963 0.887 . . . . 0.0 112.274 -172.161 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.19 9.23 5.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.389 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -103.92 -25.39 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.831 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.29 -29.08 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.462 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.51 51.85 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.156 0.979 . . . . 0.0 109.095 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.4 pt -102.31 30.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.406 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 18' ' ' LEU . 71.2 mt -61.05 118.88 7.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.81 160.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.475 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' HA3' ' OE1' ' A' ' 31' ' ' GLN . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HB3' HD23 ' A' ' 27' ' ' LEU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.792 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 58' ' ' LEU . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 27' ' ' LEU . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.586 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' HD12 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.96 -21.3 64.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.5 40.77 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' A' ' 62' ' ' GLU . 4.2 pp -77.42 7.4 5.43 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 112.408 -172.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HG3' HD12 ' A' ' 61' ' ' LEU . 44.4 mt-10 -122.72 47.11 2.01 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.119 0.961 . . . . 0.0 110.425 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 76.24 -62.21 0.43 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.021 175.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -110.56 -85.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.739 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.85 -68.76 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 67' ' ' HIS . 6.3 p80 -81.61 -30.97 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -171.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 17.7 t-160 66.38 116.17 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.519 0.512 . . . . 0.0 109.956 -174.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 44.8 t-80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.984 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 121.03 0.443 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 5' ' ' PHE . 1.2 pm0 -97.59 87.85 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.281 0.562 . . . . 0.0 111.34 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 13.3 tmtt? -89.84 -36.0 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.63 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 49.1 tptt -75.35 -10.91 59.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.55 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.711 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 50.7 t80 -70.66 -38.29 73.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.956 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -98.61 4.09 48.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.226 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.63 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 12.3 t70 -94.62 4.98 53.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.86 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.6 pt -80.8 41.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.071 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.23 144.5 56.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.95 156.76 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.743 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' HB3' HD23 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 57' ' ' GLU . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -70.27 -32.28 70.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.45 49.12 1.45 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.49 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.752 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 2.7 pt? -74.47 -6.42 48.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.615 0.722 . . . . 0.0 110.384 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' HG ' ' A' ' 61' ' ' LEU . 46.7 mt-10 -126.54 143.92 51.05 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.228 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 58.49 71.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -81.67 102.34 10.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.042 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -57.49 130.0 44.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -88.86 147.35 24.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.893 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -67.81 -50.55 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.977 -177.845 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.74 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 18.6 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' H ' ' HG2' ' A' ' 1' ' ' MET . 40.4 tt0 -70.38 83.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.608 . . . . 0.0 111.12 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.19 12.13 5.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.495 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.81 50.25 0.84 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.48 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.25 -55.01 2.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.9 -22.31 23.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.76 171.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -92.21 55.5 2.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.226 1.012 . . . . 0.0 109.61 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 pt -110.8 23.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.457 170.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 74.8 mt -49.56 121.95 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.623 -172.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -133.38 147.33 31.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.034 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB3' HD21 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.495 ' NE2' HG21 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.704 ' HB3' HD11 ' A' ' 61' ' ' LEU . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' LEU . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 11' ' ' CYS . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 9.2 tmtm? -67.54 -29.51 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 16.21 2.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.932 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 28' ' ' TRP . 95.5 mt -130.28 24.11 5.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.218 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.28 157.35 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.504 -176.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.95 -20.33 63.33 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.832 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -127.36 100.04 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 141.13 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.995 0.426 . . . . 0.0 111.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -152.72 123.19 7.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -75.95 172.72 12.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.326 -175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.296 179.335 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.04 79.05 2.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -169.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 41.0 ttmt -163.15 118.54 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 9.8 tptp -97.64 12.64 32.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.51 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 71.3 t80 -69.3 -17.09 63.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.293 0.568 . . . . 0.0 110.911 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.4 mm? -74.1 -48.1 31.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.524 1.154 . . . . 0.0 108.832 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 38.2 t70 -80.19 45.22 0.73 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 112.869 -1.969 . . . . 0.0 111.28 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.9 pt -107.71 13.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 122.005 -0.434 . . . . 0.0 110.991 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.0 132.46 44.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 111.234 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.91 156.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD21 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 27' ' ' LEU . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HG3' HD22 ' A' ' 61' ' ' LEU . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HA ' HD21 ' A' ' 58' ' ' LEU . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 33' ' ' LYS . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -64.0 -23.93 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.5 13.79 30.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.777 HD22 ' HG3' ' A' ' 19' ' ' GLU . 93.6 mt -124.7 4.5 8.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.306 0.574 . . . . 0.0 111.272 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -101.37 -18.26 16.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.435 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -170.49 131.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.035 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.73 108.62 8.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.018 0.437 . . . . 0.0 110.586 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -125.65 50.06 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.584 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 178.75 118.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.528 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -110.23 -179.1 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.911 0.386 . . . . 0.0 110.407 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.505 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -84.52 162.97 19.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -176.214 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.1 ttmp? -116.22 157.34 25.04 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 93.2 mttt 66.66 23.5 10.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.711 0.632 . . . . 0.0 111.011 -174.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' HB2' ' HG2' ' A' ' 2' ' ' GLU . 88.2 t80 -79.03 -31.41 44.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 0.0 109.222 174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.48 4.68 53.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.669 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -97.9 -14.71 20.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.872 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 5' ' ' PHE . 38.1 pt -90.97 25.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.21 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.29 118.94 10.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -133.3 157.85 42.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.329 -178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' HG12 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.646 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HD23 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -67.93 -31.71 71.66 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.32 28.87 3.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.686 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 mt -81.99 1.36 35.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.012 0.911 . . . . 0.0 109.811 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.58 136.55 46.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.066 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -110.7 133.98 52.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.287 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.14 94.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.82 117.72 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.13 -77.45 0.13 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 109.826 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -150.52 -43.02 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.559 169.156 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.628 0.251 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 29' ' ' SER . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 27' ' ' LEU . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' HE22 ' A' ' 25' ' ' GLN . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 22' ' ' GLN . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.468 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.862 0.363 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 67.2 t60 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HD2' HD13 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HA ' HD13 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.634 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 58' ' ' LEU . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD13 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? . . . . . 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.517 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.612 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.705 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.724 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.432 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 42' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 mttm . . . . . 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.523 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.51 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 27' ' ' LEU . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.578 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HB2' HD23 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.686 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.575 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 58' ' ' LEU . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.438 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.527 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.649 0.262 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG12 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' HB3' HD23 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.726 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.723 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.474 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 58' ' ' LEU . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.723 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.816 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 27' ' ' LEU . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.816 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 54' ' ' SER . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.721 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.622 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.508 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.929 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.574 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.929 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.7 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.524 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.237 0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 27' ' ' LEU . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD13 HD12 ' A' ' 18' ' ' LEU . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? . . . . . 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.468 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.639 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.823 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.823 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt . . . . . 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.703 0.287 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.574 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.703 0.287 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' HA3' ' OE1' ' A' ' 31' ' ' GLN . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HB3' HD23 ' A' ' 27' ' ' LEU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.792 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 58' ' ' LEU . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 27' ' ' LEU . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.586 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' HD12 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.728 0.299 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' HB3' HD23 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 57' ' ' GLU . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB3' HD21 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.495 ' NE2' HG21 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 24' ' ' LYS . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' LEU . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 11' ' ' CYS . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 9.2 tmtm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD21 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 27' ' ' LEU . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 64.9 t60 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 21' ' ' HIS . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HA ' HD21 ' A' ' 58' ' ' LEU . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 33' ' ' LYS . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' HG12 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.646 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HD23 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.646 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.542 0.21 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.8 pm0 -80.12 71.08 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.857 0.837 . . . . 0.0 111.822 -176.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -137.86 158.23 44.77 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' H ' ' HB3' ' A' ' 7' ' ' ASP . 99.3 mttt 64.36 13.88 8.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 123.634 0.584 . . . . 0.0 111.176 -168.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -102.27 -71.37 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.4 pt? -88.56 -9.86 50.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 0.0 108.854 170.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.758 ' HB3' ' H ' ' A' ' 4' ' ' LYS . 30.2 t70 -99.21 61.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.27 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.71 27.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.231 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.79 120.62 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -135.12 161.02 40.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 34.1 m -68.39 147.32 98.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -70.11 -24.72 27.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.321 2.014 . . . . 0.0 112.829 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -104.97 -65.68 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -73.08 -24.8 60.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.149 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 97.2 mttt 59.61 27.35 16.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.598 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.29 171.82 50.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -71.01 152.96 43.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.456 0.646 . . . . 0.0 112.272 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 29' ' ' SER . 95.5 mt -134.38 139.11 45.36 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.214 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.67 125.73 44.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.652 172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 27' ' ' LEU . 40.9 p90 -90.69 151.35 21.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.047 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 2.6 p80 -129.42 135.48 48.73 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' HE22 ' A' ' 25' ' ' GLN . 1.7 mp0 -68.43 -167.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.937 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 74.9 -56.35 0.63 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.597 0.759 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -106.83 -12.8 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.473 0.178 . . . . 0.0 110.633 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 22' ' ' GLN . 58.2 mm-40 54.59 46.47 24.73 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.184 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' NE2' ' A' ' 21' ' ' HIS . 15.9 mm-40 -99.69 141.01 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.037 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 96.8 mt -99.98 124.3 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.472 172.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' HE3' HD21 ' A' ' 61' ' ' LEU . 23.0 m0 -103.99 131.45 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.741 0.305 . . . . 0.0 111.479 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.468 ' HB3' HD21 ' A' ' 18' ' ' LEU . 66.3 p -134.25 119.95 19.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -27.3 26.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -68.81 -18.28 64.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.61 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -120.66 -11.47 9.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.659 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 61.38 28.32 17.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.842 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.3 mt -128.99 173.94 9.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 0.0 111.011 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -138.28 131.48 30.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.12 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 56.9 m-85 -107.11 142.46 25.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.326 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 69.1 Cg_endo -89.06 140.69 4.03 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.784 2.323 . . . . 0.0 112.731 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.8 mm -109.65 123.95 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -103.96 84.43 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.082 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.03 24.27 13.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.741 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -1.87 17.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.269 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -105.61 90.62 4.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 122.343 0.257 . . . . 0.0 110.688 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' ILE . 34.6 Cg_endo -64.67 127.93 19.93 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.418 2.079 . . . . 0.0 111.811 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 33.7 m-85 -105.74 80.69 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.361 0.6 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -83.07 34.28 0.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.496 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.84 147.64 23.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.552 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -51.54 -43.17 62.25 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.292 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.18 -32.07 64.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.053 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.66 -16.99 16.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.81 126.55 31.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.912 0.387 . . . . 0.0 110.316 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.59 148.22 38.77 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -176.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 60.0 Cg_endo -76.01 159.75 37.39 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.287 1.991 . . . . 0.0 112.331 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.84 155.29 17.74 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.094 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 17.9 p -85.92 166.32 16.06 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.854 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.03 -43.14 91.59 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.046 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -50.98 -55.24 18.26 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.897 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.22 -49.31 78.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.618 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -51.72 -46.0 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.969 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -68.57 -25.14 64.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.662 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.8 14.71 4.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 28' ' ' TRP . 96.9 mt -111.05 21.07 16.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.978 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.3 -23.01 62.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.051 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -151.92 173.58 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.61 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 67' ' ' HIS . 92.1 m-70 -61.1 133.01 55.58 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.372 0.42 . . . . 0.0 110.022 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -109.71 117.35 33.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.095 0.474 . . . . 0.0 110.528 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.2 t60 64.15 27.1 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.709 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 64' ' ' HIS . 18.6 t-80 -83.7 -20.45 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.204 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -140.45 102.72 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.02 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -95.8 66.7 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -132.66 42.43 3.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -169.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -121.42 -49.77 2.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' A' ' 9' ' ' LEU . 4.2 pp -70.84 -25.8 63.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.807 0.336 . . . . 0.0 111.609 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.56 -22.55 47.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.83 0.824 . . . . 0.0 110.049 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 8' ' ' ILE . 30.6 mm -96.75 7.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.14 -174.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' HB3' HD12 ' A' ' 18' ' ' LEU . 89.9 mt -72.79 110.53 7.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.31 0.576 . . . . 0.0 109.768 175.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 28.7 m -123.23 152.99 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.22 -174.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 11.9 m -69.91 144.49 93.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.01 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HD3' ' SD ' ' A' ' 45' ' ' MET . 19.8 Cg_endo -60.86 -44.18 26.89 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.198 1.932 . . . . 0.0 111.987 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.61 -40.5 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.078 0.466 . . . . 0.0 111.329 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.2 m -86.15 -19.63 29.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.353 -173.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' THR . 0.1 OUTLIER 44.22 35.21 1.17 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.724 0.81 . . . . 0.0 112.255 -174.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -117.16 170.87 13.6 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.5 ttm180 -62.68 144.73 56.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 121.471 0.653 . . . . 0.0 112.365 -175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 27' ' ' LEU . 37.9 mt -95.29 118.58 32.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.63 143.63 26.13 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.0 120.43 27.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 112.336 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 67.2 t60 -89.19 -30.76 18.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 168.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 13.1 tp60 58.37 -163.76 0.2 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.091 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 24.3 t70 73.0 -60.79 0.53 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.302 0.641 . . . . 0.0 111.704 173.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.69 23.23 14.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.025 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 58.34 36.85 25.82 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.659 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 44.6 mt-10 -97.07 136.05 38.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.994 0.426 . . . . 0.0 112.062 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HD13 ' A' ' 18' ' ' LEU . 92.8 mt -100.56 128.42 46.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 53' ' ' LEU . 8.6 m0 -116.07 126.97 54.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.88 0.371 . . . . 0.0 110.693 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 t -106.64 108.0 19.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.439 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HG3' HD13 ' A' ' 61' ' ' LEU . 52.6 ttt180 -78.77 -15.16 58.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.209 0.528 . . . . 0.0 110.434 -175.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -85.84 -29.86 23.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.598 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.61 -10.2 17.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 111.047 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HD2' HD13 ' A' ' 58' ' ' LEU . 37.8 mtmt 63.53 27.4 15.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.536 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -120.71 173.2 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.599 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ARG . . . -144.35 150.2 37.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 45' ' ' MET . 82.9 m-85 -125.02 143.78 45.11 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.674 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.3 Cg_exo -79.93 136.38 11.79 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.153 2.569 . . . . 0.0 113.376 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 43' ' ' PRO . 6.0 mm -118.42 145.72 23.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.518 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -134.72 89.49 2.54 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.998 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.44 56.29 6.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.328 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 84.14 -1.17 89.08 Favored Glycine 0 C--O 1.228 -0.249 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.008 175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.7 91.3 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 122.387 0.275 . . . . 0.0 110.566 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HA ' HD13 ' A' ' 38' ' ' ILE . 31.2 Cg_exo -58.39 105.57 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.922 2.415 . . . . 0.0 112.416 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.9 67.47 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.634 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 66.0 mtt -88.38 87.18 7.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.867 -171.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 90.6 mt -91.76 130.38 37.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.943 173.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.38 -36.0 77.04 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -174.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -88.04 -34.41 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 0.0 111.356 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 26.5 mt-10 -91.88 1.09 57.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.36 159.61 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.318 165.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 64.6 mtp85 -116.92 86.69 20.08 Favored Pre-proline 0 C--N 1.321 -0.63 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -172.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 143.65 72.51 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.698 1.599 . . . . 0.0 111.028 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' CE3' ' A' ' 28' ' ' TRP . 7.1 mp -82.2 167.18 18.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.042 0.449 . . . . 0.0 110.418 -176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.0 p -101.64 162.63 12.76 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.269 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 58' ' ' LEU . 18.9 mm-40 -55.78 -48.37 75.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.324 0.65 . . . . 0.0 111.949 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.25 -41.81 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.15 -50.66 67.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.115 0.483 . . . . 0.0 110.805 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD13 ' HD2' ' A' ' 33' ' ' LYS . 78.6 mt -52.99 -44.59 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.474 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.93 -47.83 84.17 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.63 52.02 0.93 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.886 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD13 ' HG3' ' A' ' 30' ' ' ARG . 74.7 mt -87.38 21.85 2.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.466 . . . . 0.0 110.987 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 58.76 -173.73 0.1 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.875 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 64.85 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.817 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.16 154.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -122.78 126.17 46.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -81.92 123.92 29.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 111.45 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.71 135.35 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.491 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.073 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.94 104.47 13.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.086 0.47 . . . . 0.0 110.552 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HB2' HD23 ' A' ' 6' ' ' LEU . 68.2 mttm -138.73 174.21 10.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.559 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -120.15 -178.09 3.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 79.3 t80 75.15 -7.47 1.76 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.686 0.616 . . . . 0.0 110.796 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 3' ' ' LYS . 3.0 pp -89.41 -17.27 29.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.026 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' N ' HD12 ' A' ' 6' ' ' LEU . 12.1 t70 -91.42 16.78 9.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.466 0.65 . . . . 0.0 110.151 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG13 ' HG ' ' A' ' 9' ' ' LEU . 43.3 pt -74.9 -27.94 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.232 0.539 . . . . 0.0 110.163 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 43' ' ' PRO . 60.9 mt -100.34 112.0 24.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.398 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 166.28 20.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.201 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 7.2 m -62.76 142.99 97.04 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HG3' ' HB2' ' A' ' 45' ' ' MET . 21.8 Cg_exo -67.18 -56.13 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.292 1.995 . . . . 0.0 112.481 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.06 -71.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.435 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 -33.03 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 2.9 ttmp? 58.4 68.28 0.85 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.314 174.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.58 -154.75 6.79 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -68.71 146.36 53.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.356 0.598 . . . . 0.0 112.555 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 27' ' ' LEU . 95.0 mt -102.2 124.08 47.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.681 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 34.1 mt-10 -86.2 114.73 23.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.364 0.602 . . . . 0.0 109.644 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -92.13 96.23 10.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.284 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -91.23 -33.86 15.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.333 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 54.05 80.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.685 0.616 . . . . 0.0 111.669 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.21 -72.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.05 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -102.92 43.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 53.4 73.75 0.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.842 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.14 154.11 46.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.26 -174.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.945 HD13 HD13 ' A' ' 18' ' ' LEU . 93.4 mt -112.44 138.42 49.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.164 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -110.25 143.04 41.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.141 0.496 . . . . 0.0 110.56 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -132.45 84.95 2.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.527 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HD2' HD13 ' A' ' 61' ' ' LEU . 32.4 mtp-105 -73.83 -17.02 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.88 -18.88 64.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.199 0.523 . . . . 0.0 110.562 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.27 -6.34 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.796 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 64.11 28.56 14.18 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 69.6 mt -123.63 175.23 6.95 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.298 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.95 149.89 38.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.372 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 81.6 m-85 -124.92 143.84 45.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.04 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 98.5 Cg_endo -87.41 156.24 7.97 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.697 2.265 . . . . 0.0 113.168 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.5 mm -125.23 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.806 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 29.6 mmtp -120.94 65.17 0.86 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 50.53 73.1 0.29 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.209 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 90.26 0.04 77.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.24 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 48.8 mm -113.51 88.46 13.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.632 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.7 Cg_exo -76.23 127.68 10.01 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.07 2.513 . . . . 0.0 111.072 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 61.5 m-85 -94.71 75.63 3.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.003 0.43 . . . . 0.0 110.338 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.612 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -77.01 60.03 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 110.565 177.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.09 123.58 49.95 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.442 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.87 -29.38 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.747 0.308 . . . . 0.0 111.358 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.37 -34.34 67.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -89.42 -29.34 19.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.405 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.44 124.36 19.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.038 0.446 . . . . 0.0 111.105 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -107.27 144.7 29.71 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.908 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 57.0 Cg_endo -74.38 156.66 45.8 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.302 2.001 . . . . 0.0 112.549 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.24 158.96 15.34 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.137 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.4 p -91.57 169.4 10.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 13.7 mm-40 -60.15 -44.49 94.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.476 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -40.8 89.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.488 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -69.38 -53.72 18.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -49.88 -44.81 50.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.066 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 6.4 tmtt? -79.49 -51.47 9.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.468 -175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.77 53.59 0.69 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -168.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD13 ' HD2' ' A' ' 30' ' ' ARG . 2.5 pt? -93.67 3.62 55.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.979 0.895 . . . . 0.0 109.814 173.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 152.98 21.66 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.71 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -90.44 23.92 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.16 0.505 . . . . 0.0 110.604 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -59.26 4.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.33 171.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.48 105.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.948 0.78 . . . . 0.0 110.253 174.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -107.93 -84.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -116.9 -2.51 11.77 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.242 0.674 0 CA-C-N 113.989 -1.459 . . . . 0.0 108.329 179.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.316 0.579 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.4 mp0 -68.11 143.94 55.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 177.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -116.28 174.82 5.85 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.8 pttp 45.38 44.67 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.721 1.209 . . . . 0.0 112.443 -175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -69.0 -15.83 63.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.548 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.771 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.17 -20.46 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 176.12 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.566 ' N ' HD22 ' A' ' 6' ' ' LEU . 19.9 t70 -70.19 -27.74 64.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.57 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 8' ' ' ILE . 2.9 pp -85.99 3.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.424 -178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.19 116.32 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.02 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.6 171.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.233 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 30.8 m -68.46 143.84 95.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.705 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 50.7 Cg_endo -72.35 -29.43 13.9 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.279 1.986 . . . . 0.0 112.14 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.55 -66.52 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.303 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -21.67 61.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.867 -176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 68.6 mttm 59.75 29.81 19.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.271 0.558 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -99.38 166.13 20.73 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 17' ' ' ARG . 1.6 mmm-85 -67.4 161.25 25.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.396 0.617 . . . . 0.0 111.878 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 27' ' ' LEU . 53.5 mt -120.98 140.49 51.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.396 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.6 120.12 32.83 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 33.9 p90 -77.92 144.6 36.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.275 -175.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 4.4 t-80 -119.17 147.21 44.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.236 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 26.4 mp0 -75.58 -164.43 0.34 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.806 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 29.6 t70 75.56 -60.86 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.367 0.667 . . . . 0.0 111.058 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 54.1 mttp -115.79 -2.58 12.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.457 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER 50.56 71.62 0.41 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.286 0.565 . . . . 0.0 110.569 -168.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 22.7 mt-10 -104.61 150.84 24.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.898 HD13 HD13 ' A' ' 18' ' ' LEU . 42.3 mt -96.03 110.05 22.35 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 169.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.586 ' HB3' HD11 ' A' ' 61' ' ' LEU . 20.9 m0 -93.89 134.33 36.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.096 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -126.81 115.4 19.3 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.66 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.4 -18.32 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.724 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 14.9 mm-40 -77.56 -48.99 15.59 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.504 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.204 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 64.82 20.5 12.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' PRO . 81.0 mt -131.64 173.8 10.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.001 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.75 146.78 32.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.881 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 p90 -137.52 145.32 48.7 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.786 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.9 Cg_exo -73.45 151.44 47.8 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.448 2.765 . . . . 0.0 113.853 -171.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 27' ' ' LEU . 46.3 mm -111.13 126.01 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.182 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -111.8 99.07 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.774 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.8 20.62 12.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.821 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.35 11.74 40.93 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.298 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.432 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 46.7 mm -110.64 90.55 10.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 122.207 0.203 . . . . 0.0 110.823 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 42' ' ' ILE . 17.7 Cg_endo -59.45 125.23 17.36 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.913 2.409 . . . . 0.0 112.554 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.52 89.89 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.527 0.68 . . . . 0.0 110.675 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -83.5 69.28 10.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.783 179.274 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 65.6 mt -92.81 141.95 27.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.206 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.01 -42.45 76.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.752 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -82.23 -29.99 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 32.1 mm-40 -77.02 -30.46 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 152.18 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.433 0.635 . . . . 0.0 111.872 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mmp_? -118.1 144.39 34.72 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.905 177.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -78.09 145.25 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.663 2.242 . . . . 0.0 111.341 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 57' ' ' GLU . 48.1 mt -102.62 142.09 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 60.5 p -86.88 174.03 9.01 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.205 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.12 -51.39 70.21 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -52.45 -51.05 61.23 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.984 0.421 . . . . 0.0 110.95 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 53' ' ' LEU . 55.1 mt-10 -58.2 -52.15 66.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.439 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 91.7 mt -51.21 -46.97 62.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.633 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HG2' ' OE1' ' A' ' 62' ' ' GLU . 22.1 mttm -77.36 -7.94 56.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.026 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.13 14.81 14.97 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.496 0.665 . . . . 0.0 109.984 172.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 28' ' ' TRP . 95.2 mt -124.01 5.68 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.565 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.511 ' OE1' ' HG2' ' A' ' 59' ' ' LYS . 9.7 pt-20 -102.28 132.59 48.14 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.701 176.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.15 111.93 24.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 -170.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -67.95 -18.72 64.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -164.47 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -154.76 137.05 14.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -98.4 92.88 5.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.772 -176.833 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 1.8 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.148 0.499 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -96.13 98.08 10.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.413 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -135.94 150.4 49.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.328 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 59.59 81.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.192 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -147.58 -52.3 0.2 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.667 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -96.19 5.33 51.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.27 -87.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.087 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.2 pt 42.45 37.06 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.911 0.884 . . . . 0.0 112.833 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.87 123.53 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.64 151.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.6 -174.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 5.0 m -67.2 151.1 97.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.712 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.43 -21.39 19.75 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 122.505 2.137 . . . . 0.0 111.927 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.01 -71.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.905 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -108.51 -0.55 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 43.2 mtmt 59.8 32.09 21.14 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.481 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.03 162.21 40.45 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 171.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -62.77 143.51 57.42 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.693 0.759 . . . . 0.0 112.138 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 27' ' ' LEU . 82.4 mt -92.05 115.75 28.34 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.977 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.49 100.54 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.77 139.68 39.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.402 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -135.95 112.9 10.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.123 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 23.4 mp0 -64.27 177.68 0.81 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.068 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 9.4 t70 74.71 -43.64 0.53 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.893 0.477 . . . . 0.0 110.659 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.812 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -102.2 -24.52 13.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 60.59 34.66 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.646 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -108.64 139.68 43.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.765 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.891 HD13 HD13 ' A' ' 18' ' ' LEU . 95.2 mt -87.46 111.21 20.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 170.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 38.2 m0 -93.88 113.37 25.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.375 0.607 . . . . 0.0 110.9 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -102.58 86.3 2.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.109 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -64.29 -34.81 78.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -72.57 -9.4 58.53 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.64 -7.71 11.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.508 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 60.36 28.6 18.24 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.356 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 52' ' ' PRO . 78.7 mt -126.91 173.9 9.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.624 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.01 30.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.623 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 81.4 m-85 -114.42 144.69 32.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.243 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.1 Cg_exo -78.15 132.08 11.28 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 123.046 2.498 . . . . 0.0 113.192 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 43' ' ' PRO . 3.2 mm -106.52 130.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.224 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 43.0 tptt -115.0 61.05 0.69 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.333 0.587 . . . . 0.0 109.701 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 48.17 65.27 1.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.195 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 107.81 -14.97 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.202 176.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -111.08 88.81 8.87 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 38' ' ' ILE . 11.8 Cg_exo -70.3 108.58 2.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.892 2.395 . . . . 0.0 111.452 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 34.1 m-85 -83.61 76.56 9.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.738 0.78 . . . . 0.0 110.451 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' ' 36' ' ' TYR . 20.2 ptp -74.54 63.57 1.11 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.864 177.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 92.4 mt -104.34 129.78 52.22 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.21 -34.83 79.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.007 0.432 . . . . 0.0 110.862 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.07 -37.4 72.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.866 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 71.8 mm-40 -77.87 -30.63 50.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 123.36 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.646 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 4.5 ptm180 -114.86 145.84 34.82 Favored Pre-proline 0 N--CA 1.444 -0.751 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.3 Cg_exo -69.08 146.67 65.19 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 111.993 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.73 139.93 29.96 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.025 0.44 . . . . 0.0 110.314 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.51 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.9 p -87.82 167.53 13.71 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.041 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -57.22 -52.84 63.71 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.328 0.651 . . . . 0.0 111.796 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.93 -49.39 63.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.085 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.42 -52.83 63.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.464 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 54' ' ' SER . 96.5 mt -46.7 -48.49 20.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.883 174.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.01 -11.27 59.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.71 44.61 1.86 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.094 0.473 . . . . 0.0 111.283 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 ' HA ' ' HZ3' ' A' ' 28' ' ' TRP . 2.9 pp -83.47 6.71 19.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 165.42 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.64 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -84.3 -20.95 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.828 0.347 . . . . 0.0 111.157 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.51 53.93 1.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.996 0.427 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -70.12 -25.35 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.641 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.11 14.0 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.071 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.34 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.924 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.241 0.628 0 CA-C-O 118.444 -0.788 . . . . 0.0 109.384 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.51 79.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -89.81 -8.11 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.41 0.624 . . . . 0.0 110.131 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 7' ' ' ASP . 65.9 mttm -80.95 20.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.88 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -73.18 -31.76 64.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.906 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.06 -20.05 5.44 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.835 178.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.705 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 9.7 t70 -67.82 -18.69 64.92 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 pt -79.18 35.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 98.2 mt -75.49 126.38 30.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 110.414 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.0 158.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.041 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 18' ' ' LEU . 8.7 p -98.4 144.1 27.5 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.353 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.6 Cg_exo -79.2 2.49 8.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.618 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.67 -53.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.022 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -128.25 1.31 5.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.182 0.515 . . . . 0.0 110.633 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 66.5 mttm 59.55 28.3 17.67 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.213 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.49 151.35 22.48 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -66.34 150.83 48.26 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.126 0.489 . . . . 0.0 111.715 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 27' ' ' LEU . 61.9 mt -117.62 139.78 50.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.291 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.87 123.78 43.35 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -82.41 88.74 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.567 0.699 . . . . 0.0 109.568 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -82.25 100.36 9.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.563 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.578 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 32.9 tt0 -61.68 171.53 1.54 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.952 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 t70 76.93 -45.09 0.48 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.495 0.718 . . . . 0.0 110.74 -174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.68 -18.18 17.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 56.37 33.25 22.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.101 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -109.67 154.48 22.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.861 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 18' ' ' LEU . 85.2 mt -95.5 106.1 18.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.573 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.558 ' HE3' HD21 ' A' ' 61' ' ' LEU . 26.2 m0 -94.38 131.58 39.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 -175.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HB2' HD23 ' A' ' 18' ' ' LEU . 12.4 t -138.44 125.34 21.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.725 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.686 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -81.17 -18.26 46.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -57.99 -45.84 86.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.821 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.31 -7.76 20.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 65.02 24.95 12.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.883 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 52' ' ' PRO . 74.1 mt -127.01 175.17 8.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.939 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.35 32.28 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.471 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -109.37 141.83 24.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.92 135.45 8.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.495 2.13 . . . . 0.0 113.035 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 43' ' ' PRO . 47.0 mm -111.79 125.09 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.951 176.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 62.2 tttm -95.34 75.7 3.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.952 0.406 . . . . 0.0 110.465 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 52.64 40.9 30.97 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.794 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.575 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 111.3 -3.55 28.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.308 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 46.8 mm -107.2 90.21 5.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.507 0.323 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 23.6 Cg_exo -63.68 122.54 10.66 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.791 2.327 . . . . 0.0 112.536 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -117.0 82.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.04 0.448 . . . . 0.0 110.858 176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.32 59.56 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.112 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.4 mt -88.54 125.05 34.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.824 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -55.87 -37.14 68.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.601 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.07 -28.81 65.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.047 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -108.92 -16.08 14.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 124.67 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -107.38 144.92 30.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.095 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 34' ' ' LEU . 57.1 Cg_endo -77.33 158.81 33.11 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.38 2.053 . . . . 0.0 111.815 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.3 mt -111.52 161.53 16.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.155 0.502 . . . . 0.0 111.009 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.7 m -85.22 162.78 19.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.915 176.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -51.75 61.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.744 0.418 . . . . 0.0 111.59 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.45 -45.03 73.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.63 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 44.1 mt-10 -62.63 -52.99 61.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' SER . 93.7 mt -50.99 -50.26 58.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.82 175.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -69.0 -16.64 63.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.771 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 64' ' ' HIS . . . -98.97 17.57 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.005 0.431 . . . . 0.0 111.83 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD21 ' HE3' ' A' ' 28' ' ' TRP . 92.7 mt -117.31 -30.29 5.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.192 0.996 . . . . 0.0 110.617 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 79.7 mm-40 -126.59 148.38 49.78 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.26 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 42.7 t60 75.07 -47.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.665 0.603 . . . . 0.0 111.764 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' ALA . 12.1 t-80 -158.13 128.74 6.28 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.238 -0.288 . . . . 0.0 110.356 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -128.21 178.11 6.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.55 0.214 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -83.71 -67.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -125.37 -34.8 2.66 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.241 0.622 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.566 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.451 0.643 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.14 155.08 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.369 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.14 107.95 19.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.564 0.697 . . . . 0.0 110.408 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -137.31 -15.57 1.45 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.197 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -92.64 -27.03 17.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.548 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -114.69 -18.84 11.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.269 0.557 . . . . 0.0 110.857 179.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -16.33 62.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.033 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.73 2.98 2.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 111.606 -178.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.8 mt -79.64 121.92 25.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.4 141.16 22.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.345 0.593 . . . . 0.0 112.26 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 25.7 t -67.62 142.64 96.26 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.82 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 65.5 Cg_endo -75.29 -11.98 20.96 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 114.006 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -69.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 111.243 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -121.99 9.06 9.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 57.3 mtmt 59.94 84.77 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.53 163.54 25.46 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.956 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.68 163.26 16.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.781 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 27' ' ' LEU . 87.0 mt -114.99 114.0 24.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.925 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -95.6 129.67 42.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -100.77 126.42 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.486 0.66 . . . . 0.0 111.987 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -86.43 96.46 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -32.23 71.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.809 -168.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.34 -51.64 57.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -108.1 -3.01 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.534 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 59.53 50.68 7.16 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.004 -178.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 47.2 mt-10 -119.14 142.03 48.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.172 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 18' ' ' LEU . 40.5 mt -87.53 123.12 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -94.67 104.8 16.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.174 0.511 . . . . 0.0 111.005 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 m -98.6 76.61 2.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 58' ' ' LEU . 20.7 ttp180 -65.4 -20.23 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.914 -174.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.08 -36.09 78.7 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.273 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.866 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.41 33.68 18.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.72 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 60.4 mt -125.58 172.35 9.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . . . -144.77 136.42 25.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.93 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 53.5 m-85 -104.74 143.6 27.03 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.49 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 44' ' ' TYR . 9.0 Cg_exo -73.25 140.63 31.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 111.438 176.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 43' ' ' PRO . 44.2 mm -124.94 124.85 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.482 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.94 127.95 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.66 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 64.03 16.81 10.21 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.705 0.628 . . . . 0.0 111.531 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 76.95 18.12 79.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.955 -176.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -107.89 90.01 6.0 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 40.4 Cg_exo -57.1 144.24 90.71 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.088 2.525 . . . . 0.0 113.041 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 91.6 m-85 -109.79 81.11 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.527 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -78.3 55.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.365 0.603 . . . . 0.0 110.978 178.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.85 108.81 20.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.0 mp0 -49.82 -44.01 49.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -72.37 -32.32 66.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.05 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -98.16 -20.44 17.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 157.66 35.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -119.58 144.48 36.94 Favored Pre-proline 0 N--CA 1.445 -0.714 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.859 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' LEU . 53.1 Cg_endo -72.53 153.91 55.06 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -89.24 144.68 25.92 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.821 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.3 p -85.43 165.51 17.13 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.77 174.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.2 mt-10 -59.59 -42.69 93.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.183 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.98 -49.88 70.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.412 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.07 -51.91 67.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.592 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 54' ' ' SER . 97.4 mt -47.23 -44.79 22.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.937 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -76.49 -24.57 53.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.224 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.33 39.77 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -85.15 1.29 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.032 0.92 . . . . 0.0 109.609 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -93.74 132.36 38.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -81.47 114.14 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.322 0.582 . . . . 0.0 110.759 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.85 19.35 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.3 m80 75.32 166.8 0.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.14 0.9 . . . . 0.0 109.047 -169.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.81 140.86 29.16 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.212 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.5 t60 65.69 71.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.052 -167.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.252 174.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 1.4 mpt? . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.959 0.409 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.4 22.75 15.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.065 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 1' ' ' MET . 15.8 ptpt -84.81 115.21 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.595 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -157.22 38.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.263 0.554 . . . . 0.0 110.48 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -164.34 -62.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.41 5.94 18.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.116 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 3.3 t70 -149.64 77.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.0 pt -139.5 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.841 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.74 137.22 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.659 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 17' ' ' ARG . 35.8 m -121.67 165.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.616 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 18' ' ' LEU . 67.7 m -88.75 143.85 32.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.52 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -73.03 -4.1 14.82 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.4 -55.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 14.74 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.477 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 59.92 29.23 18.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.303 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.8 142.38 21.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG12 ' A' ' 10' ' ' VAL . 13.1 ptm180 -67.82 165.1 18.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.2 0.524 . . . . 0.0 112.394 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 27' ' ' LEU . 55.9 mt -125.33 114.83 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.008 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 3.2 mp0 -94.63 84.94 4.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' HB3' HD23 ' A' ' 27' ' ' LEU . 42.1 p90 -98.53 149.71 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.208 -174.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.85 157.87 44.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.429 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' ' 23' ' ' ASP . 4.9 tp-100 -76.84 -163.2 0.32 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.42 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.726 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 17.8 t70 76.06 -60.29 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.285 0.634 . . . . 0.0 111.378 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -110.72 2.24 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.604 0.24 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 26.5 mp0 45.01 59.58 3.39 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.681 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -112.7 134.43 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.969 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.723 ' HG ' HG12 ' A' ' 38' ' ' ILE . 36.9 mt -92.97 103.87 16.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 169.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.9 m0 -92.14 104.99 17.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.154 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.474 ' HB2' HD23 ' A' ' 18' ' ' LEU . 8.3 t -105.19 88.44 2.86 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 3.3 tmt_? -60.31 -29.98 69.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.731 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.81 -26.4 61.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.614 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.12 -8.03 31.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 58' ' ' LEU . 24.4 mtpp 65.91 22.5 11.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.591 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 52' ' ' PRO . 73.9 mt -135.21 174.37 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.267 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.78 121.03 17.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.797 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 66.5 m-85 -99.09 152.72 37.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.391 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 73.0 Cg_endo -77.1 143.16 22.47 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.277 1.985 . . . . 0.0 113.602 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.723 HG12 ' HG ' ' A' ' 27' ' ' LEU . 4.0 mm -111.27 126.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.124 174.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -105.14 82.39 1.84 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.825 176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 56.37 40.31 29.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.819 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 100.49 -1.87 55.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.386 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -104.82 91.03 3.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 C-N-CA 122.524 0.33 . . . . 0.0 110.307 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 38.4 Cg_exo -59.76 141.15 96.35 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.211 2.607 . . . . 0.0 112.436 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 45.0 m-85 -132.05 93.54 3.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.088 0.47 . . . . 0.0 110.738 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 mpt? -77.05 70.3 3.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -108.72 134.34 51.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.26 -46.16 84.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.386 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -75.76 -19.71 58.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.05 0.452 . . . . 0.0 111.18 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.91 -24.75 14.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 135.23 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.052 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.2 mmm180 -107.34 144.63 29.59 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.2 Cg_exo -75.94 153.52 37.47 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.417 2.078 . . . . 0.0 112.141 177.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.7 166.36 10.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.295 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 57' ' ' GLU . 26.6 p -98.79 169.22 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.936 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 2.9 mt-10 -61.94 -35.24 77.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.893 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -49.19 78.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' ' OG ' ' A' ' 54' ' ' SER . 4.9 mm-40 -61.18 -52.96 62.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.275 0.559 . . . . 0.0 110.986 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.4 mt -52.44 -44.58 65.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.362 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 18.5 mmtt -66.61 -22.16 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.681 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.31 43.27 0.94 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.489 0.661 . . . . 0.0 110.034 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.21 6.96 10.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.223 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 56.91 99.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.642 1.211 . . . . 0.0 111.467 -174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.17 -44.3 9.33 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.833 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -107.78 115.82 30.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.823 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.46 80.06 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.224 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 53.87 78.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.657 0.741 . . . . 0.0 111.223 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' HIS . 80.3 t60 -147.03 126.82 13.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.202 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.418 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 64.75 -173.49 0.18 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.974 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.02 -163.81 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -94.93 19.69 9.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.244 0.545 . . . . 0.0 110.216 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -68.76 -29.55 67.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.641 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.5 pt? -89.6 -14.33 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.812 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.38 18.42 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.771 0.796 . . . . 0.0 109.985 -176.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.89 -15.11 19.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.0 mt -104.5 108.04 19.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -117.76 168.61 9.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.439 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.19 143.05 79.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.34 -17.4 18.86 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.21 1.94 . . . . 0.0 112.02 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.49 -71.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.465 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p -102.86 -0.76 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.4 75.98 0.09 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.89 0.876 . . . . 0.0 112.154 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.816 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -134.76 176.41 19.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.144 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.93 143.97 40.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.764 0.425 . . . . 0.0 111.604 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 27' ' ' LEU . 74.3 mt -103.29 120.65 41.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 4.1 mm-40 -86.5 91.05 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -90.99 128.74 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.987 0.423 . . . . 0.0 111.202 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -134.87 113.33 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.682 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.04 83.82 6.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.489 0.662 . . . . 0.0 111.413 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -151.74 -58.03 0.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.242 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 10.7 mmpt? -91.39 2.63 56.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 50.46 57.88 6.12 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.09 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -121.1 137.99 54.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.698 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 38' ' ' ILE . 31.0 mt -94.65 111.19 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 167.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 18.6 m0 -91.96 109.6 20.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.3 0.571 . . . . 0.0 110.466 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.298 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 61' ' ' LEU . 30.5 ttp180 -57.38 -34.52 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.532 -172.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.816 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 9.3 mm-40 -72.26 -16.69 61.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.01 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.15 -9.61 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.504 0.192 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 mttp 65.11 25.29 12.48 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.816 0.697 . . . . 0.0 111.315 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -129.44 174.48 9.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . . . -144.19 159.14 43.17 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.624 0.25 . . . . 0.0 110.624 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -129.1 144.86 54.33 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.034 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.37 142.51 49.86 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.772 2.314 . . . . 0.0 113.473 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 43' ' ' PRO . 4.5 mm -113.56 133.75 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.269 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 21.7 tptp -109.96 69.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 48.86 63.62 2.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.235 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 95.1 -3.82 67.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 48.5 mm -104.39 90.16 3.07 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 13.5 Cg_exo -68.66 109.46 2.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.893 2.395 . . . . 0.0 112.716 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.49 76.18 2.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtm -76.85 71.05 3.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -112.51 123.56 50.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.469 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.43 -26.44 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.758 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.89 -31.27 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.17 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -91.51 -71.78 0.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.89 138.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.543 1.152 . . . . 0.0 113.889 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 15.0 mmm180 -118.88 86.51 31.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.198 172.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.82 143.94 52.13 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 113.069 -173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.26 148.31 23.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.188 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.4 m -92.64 168.3 11.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.47 -41.92 92.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.33 72.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.069 0.462 . . . . 0.0 110.546 174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 54' ' ' SER . 56.8 mm-40 -57.21 -52.7 64.28 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.075 174.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 ' O ' HD22 ' A' ' 61' ' ' LEU . 98.8 mt -54.17 -43.88 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.566 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -57.88 -33.88 69.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.316 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.44 47.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.255 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 58' ' ' LEU . 1.5 pt? -84.8 14.53 4.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.64 0.734 . . . . 0.0 111.346 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.54 140.04 40.97 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.833 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.39 121.92 39.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -93.74 112.71 24.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.454 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -91.2 113.5 25.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 0.0 111.655 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -157.0 -29.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.728 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.34 152.17 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.341 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.424 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -103.83 97.24 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.636 -170.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.63 20.17 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.14 0.971 . . . . 0.0 109.18 172.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 55.1 tptt -71.74 62.78 0.42 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.266 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.32 -38.52 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.306 0.574 . . . . 0.0 110.217 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 3.2 pp -94.95 -3.15 49.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.265 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 15.7 t70 -80.37 -16.02 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.632 -176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -98.73 16.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.701 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.4 135.7 53.59 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.105 0.479 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.19 167.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.828 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.0 m -73.49 143.68 82.77 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.892 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.8 Cg_exo -65.03 -38.1 30.0 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.393 2.062 . . . . 0.0 112.689 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.2 t -86.03 -62.61 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -74.2 -18.27 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.6 tttt 61.61 35.15 17.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.911 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -120.01 151.59 17.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.423 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 157.53 3.49 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.87 0.868 . . . . 0.0 112.9 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 71.6 mt -109.58 116.72 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.712 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 48.0 mm-40 -95.08 96.08 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -85.89 147.44 26.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.674 -0.641 . . . . 0.0 111.486 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -117.4 145.09 44.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.825 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.8 -174.73 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.492 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 75.51 -60.75 0.49 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 111.994 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -106.71 -1.87 22.23 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.106 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 51.36 44.47 28.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.346 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -101.5 139.4 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.999 0.428 . . . . 0.0 110.676 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 47.4 mt -87.14 122.45 30.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.865 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 39.2 m0 -94.11 104.7 16.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.634 0.73 . . . . 0.0 109.564 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 m -96.44 91.58 5.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.994 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.4 tmt_? -59.23 -33.24 70.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.098 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.721 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 11.9 mm-40 -69.36 -26.03 64.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.022 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.2 -10.12 15.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.7 26.85 15.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.915 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 52' ' ' PRO . 87.0 mt -130.02 174.14 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.863 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -136.93 125.02 22.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.988 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.0 m-85 -108.82 142.98 26.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.894 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 72.8 Cg_endo -83.02 140.77 10.18 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.634 2.223 . . . . 0.0 113.254 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.2 mm -109.17 124.68 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.692 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.99 85.95 2.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.276 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.79 32.24 18.21 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 111.181 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 97.83 11.8 48.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.212 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.3 mm -105.06 90.44 3.68 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 38' ' ' ILE . 15.1 Cg_exo -66.56 117.15 4.5 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.814 2.342 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 59.2 m-85 -98.97 79.41 2.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.273 0.559 . . . . 0.0 110.55 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.622 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -74.99 64.83 1.36 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.726 175.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.1 99.17 8.63 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.44 -29.35 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.412 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.65 -31.54 72.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.709 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.05 -17.73 11.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -174.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 148.31 32.04 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.236 0.541 . . . . 0.0 111.771 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -92.39 149.56 38.54 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.43 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.6 Cg_exo -80.8 146.31 16.49 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.803 2.335 . . . . 0.0 111.259 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 16.3 mt -95.72 140.96 29.78 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.538 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -83.97 159.41 21.25 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.974 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -59.46 -44.39 93.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.59 -47.49 76.4 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.59 -53.5 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.593 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 96.6 mt -49.11 -44.77 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.719 172.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -67.67 -29.52 68.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.244 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.12 15.02 3.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.321 0.582 . . . . 0.0 111.271 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 28' ' ' TRP . 79.3 mt -115.17 8.09 15.5 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.535 176.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 68.29 138.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.3 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -78.36 93.12 4.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -61.22 92.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -151.37 142.89 23.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.616 -167.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -92.83 117.84 30.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.609 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 43.0 t-80 -130.66 73.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 110.734 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.7 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.289 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -87.05 50.0 1.93 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.803 0.811 . . . . 0.0 110.634 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -125.97 6.37 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.869 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -111.27 144.28 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.044 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' HG12 ' A' ' 8' ' ' ILE . 58.7 t80 75.39 -49.44 0.63 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.635 0.774 . . . . 0.0 112.244 174.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.63 -30.63 63.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.973 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.38 26.71 9.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.445 0.64 . . . . 0.0 110.968 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 5' ' ' PHE . 42.7 pt -85.88 16.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.373 0.606 . . . . 0.0 110.068 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.5 mt -72.04 137.61 47.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.291 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -114.0 155.96 15.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.827 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.8 p -80.05 141.91 55.05 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 1.3 Cg_endo -84.15 -6.6 10.25 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.974 2.45 . . . . 0.0 113.302 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.8 t -100.89 -66.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 110.756 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.508 HG21 ' HA ' ' A' ' 32' ' ' ALA . 2.3 p -81.6 -9.11 59.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -176.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.96 82.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.36 0.6 . . . . 0.0 112.142 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.929 ' HA3' ' HG3' ' A' ' 31' ' ' GLN . . . -173.37 160.72 31.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.551 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -56.38 151.69 12.61 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.515 0.674 . . . . 0.0 111.834 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 27' ' ' LEU . 96.5 mt -101.07 -172.19 2.13 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.179 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 25.8 mm-40 -149.52 106.42 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.363 0.601 . . . . 0.0 110.453 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 85.2 m-70 -121.04 111.68 17.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.56 72.32 9.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.097 -171.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 12.8 t70 -104.13 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 15.9 mttp -111.21 29.23 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 56.14 71.58 0.55 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.502 0.668 . . . . 0.0 110.364 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.574 ' OE1' ' HB3' ' A' ' 23' ' ' ASP . 9.4 mt-10 -126.18 149.11 49.23 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.114 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD13 HD13 ' A' ' 18' ' ' LEU . 39.1 mt -111.13 120.75 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.3 m95 -95.68 117.09 29.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.064 -173.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.7 t -113.16 107.83 16.46 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.634 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.36 -38.96 85.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.966 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.929 ' HG3' ' HA3' ' A' ' 16' ' ' GLY . 16.0 mm-40 -71.04 -16.67 62.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.967 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -104.34 -19.89 13.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 64.27 22.77 12.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.014 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 49.9 mt -131.05 173.66 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.875 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.0 120.62 16.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.97 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.7 ' HE2' ' HB3' ' A' ' 43' ' ' PRO . 38.5 p90 -116.35 144.86 33.87 Favored Pre-proline 0 C--N 1.32 -0.68 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.151 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 12.8 Cg_exo -70.08 149.52 64.96 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 123.159 2.572 . . . . 0.0 112.656 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 43' ' ' PRO . 45.2 mm -115.18 136.79 50.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.548 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 ttmm -109.19 73.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.006 0.432 . . . . 0.0 109.979 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 51.63 51.42 16.72 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.396 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 103.09 -1.67 47.54 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 50.7 mm -108.81 89.32 6.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.646 0.26 . . . . 0.0 110.452 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HB3' ' HE2' ' A' ' 36' ' ' TYR . 16.6 Cg_exo -67.71 131.03 23.25 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 122.941 2.427 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.524 ' HE2' ' HE2' ' A' ' 39' ' ' LYS . 36.7 m-85 -113.28 78.96 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 111.543 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.55 3.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 0.0 110.239 175.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.15 138.39 31.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.668 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -32.82 73.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -172.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -89.55 -19.24 25.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 111.817 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -113.11 -9.4 13.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.09 148.95 25.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.9 mmp_? -107.34 143.78 27.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.9 Cg_exo -74.05 147.83 39.01 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.351 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 30.9 mt -92.67 140.84 29.12 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.373 0.606 . . . . 0.0 110.087 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -79.22 165.01 23.7 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.298 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -49.52 77.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.438 0.295 . . . . 0.0 111.614 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.79 -30.77 71.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.63 -51.88 25.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.188 0.518 . . . . 0.0 110.293 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.6 mt -50.01 -44.95 51.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.344 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 61.3 mmtt -67.37 -22.13 65.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.917 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 64' ' ' HIS . . . -84.56 13.0 6.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.653 0.739 . . . . 0.0 110.249 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 19' ' ' GLU . 90.7 mt -123.52 10.99 9.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 108.505 172.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.84 -66.24 0.98 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.771 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -158.26 115.59 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -171.04 -67.04 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.916 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -162.4 124.96 2.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.114 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -126.69 33.45 4.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -56.28 122.39 11.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.254 -175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.102 0.876 . . . . 0.0 111.045 177.405 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.38 99.53 4.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.109 0.48 . . . . 0.0 111.678 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 48.8 mtmt -134.47 13.47 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.046 172.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -78.28 56.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.06 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -150.15 -47.08 0.13 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.206 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -121.02 -1.42 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.004 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.1 t0 -128.2 52.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.533 0.682 . . . . 0.0 110.848 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -135.89 19.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.037 174.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.66 -154.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.512 -175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m -53.65 145.98 3.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.428 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 16.5 t -56.08 139.9 71.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 4.1 Cg_exo -81.58 -19.22 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.876 2.384 . . . . 0.0 112.762 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.39 -56.21 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -114.23 -13.15 12.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.84 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 55.97 82.04 0.11 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.457 0.646 . . . . 0.0 110.748 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.81 157.61 27.46 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -78.81 147.22 33.35 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 120.973 0.416 . . . . 0.0 110.191 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 27' ' ' LEU . 35.0 mt -112.03 136.32 51.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.32 119.32 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -83.93 148.1 27.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 47.9 m80 -107.53 -179.88 4.04 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.08 -13.36 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -168.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -76.98 -56.53 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.831 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -128.53 23.18 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.078 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 27.6 mm-40 55.32 39.07 31.18 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.814 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 128.12 32.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.678 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD13 HD12 ' A' ' 18' ' ' LEU . 86.6 mt -84.92 115.41 22.77 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -101.4 117.82 35.71 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.265 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 32' ' ' ALA . 5.2 m -99.41 95.14 6.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.111 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -66.92 -35.81 80.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.27 0.557 . . . . 0.0 109.738 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.28 10.86 32.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.765 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -130.56 -11.82 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 64.24 25.05 13.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.27 174.06 10.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.406 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.15 130.67 19.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.641 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 29.6 m-85 -119.12 143.6 34.37 Favored Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.783 -175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 5.5 Cg_exo -80.58 139.75 12.87 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.931 2.421 . . . . 0.0 112.525 176.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 43' ' ' PRO . 2.6 mm -104.1 127.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.077 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -118.12 96.34 5.29 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.223 173.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 60.92 31.2 19.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.834 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 91.34 4.96 67.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.381 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.56 90.87 6.47 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 38' ' ' ILE . 26.3 Cg_exo -58.21 140.17 93.25 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.519 2.146 . . . . 0.0 111.391 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 33.2 m-85 -123.8 88.85 2.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.307 0.575 . . . . 0.0 110.451 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -77.41 35.68 0.18 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.817 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -78.6 125.12 28.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -52.08 -34.71 45.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.01 -40.74 96.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 111.438 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.6 -29.74 13.68 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 52' ' ' PRO . . . -61.6 133.31 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 5.1 mmp_? -113.7 89.11 15.02 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.581 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 50' ' ' ALA . 31.9 Cg_exo -56.85 145.22 85.1 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.604 2.203 . . . . 0.0 111.595 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.01 138.1 37.87 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.312 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 2.0 m -85.82 168.26 14.44 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 33.3 mt-10 -57.26 -47.86 80.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -42.16 92.4 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.791 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 65' ' ' HIS . 52.3 mt-10 -62.63 -51.74 66.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 55' ' ' GLU . 87.8 mt -48.12 -54.08 14.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.151 175.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 59' ' ' LYS . 11.2 tmtt? -64.22 -51.15 65.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.097 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.833 -173.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.7 mt -79.37 28.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.858 0.361 . . . . 0.0 111.483 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -65.82 -51.17 61.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -175.7 -38.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.64 139.38 30.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 57' ' ' GLU . 3.9 p80 -150.06 96.95 2.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 110.478 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -90.16 100.94 13.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -86.09 -24.19 26.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.864 -170.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.337 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -92.31 71.88 5.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.473 0.654 . . . . 0.0 109.648 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -161.29 168.29 24.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.894 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 50.2 tttp 67.92 8.61 6.58 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.534 0.683 . . . . 0.0 110.568 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -67.43 -17.02 64.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.8 -2.52 32.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.352 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.894 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -112.94 19.54 17.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.192 0.996 . . . . 0.0 109.765 -177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.0 pt -105.28 3.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.876 173.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.76 125.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.359 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.47 158.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.875 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 59.8 m -61.35 143.11 93.26 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.59 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -85.95 -23.64 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.694 2.263 . . . . 0.0 112.167 176.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.86 -71.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.332 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 p -94.0 -17.65 22.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 77.3 tttt 65.11 89.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.882 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.24 -176.84 35.66 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.511 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 20.2 ptt85 -61.09 164.59 4.98 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 27' ' ' LEU . 42.3 mt -138.57 128.62 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.426 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -89.91 113.96 25.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.25 107.72 19.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -109.71 114.13 27.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.23 86.78 6.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.0 111.457 -172.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -64.73 0.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.865 173.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 84.7 mttt -100.05 13.67 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.777 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 50.69 69.58 0.62 Allowed 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.112 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -125.61 142.87 51.28 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.674 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 18' ' ' LEU . 60.2 mt -106.1 120.81 42.77 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.731 ' HE3' HD21 ' A' ' 61' ' ' LEU . 43.8 m0 -100.1 129.54 46.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.988 -175.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.468 ' OG ' ' HG2' ' A' ' 31' ' ' GLN . 10.4 t -137.22 102.09 4.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 58' ' ' LEU . 49.5 ttp180 -73.0 -16.58 61.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.072 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HG2' ' OG ' ' A' ' 29' ' ' SER . 8.5 pt20 -69.91 -19.62 63.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.065 0.459 . . . . 0.0 110.186 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.37 -9.73 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 53.1 mtpt 66.58 23.47 10.36 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.513 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 52' ' ' PRO . 59.8 mt -132.56 173.28 11.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.441 0.639 . . . . 0.0 111.493 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 53' ' ' LEU . . . -144.64 140.56 28.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.508 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -133.31 145.45 56.69 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.82 146.36 53.43 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.815 2.343 . . . . 0.0 112.372 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.6 mm -110.59 136.79 45.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.494 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -101.13 86.56 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.845 0.355 . . . . 0.0 110.227 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 48.81 42.26 19.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.871 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 100.54 5.92 53.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.531 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -114.83 89.79 20.37 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -66.74 150.69 83.44 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.852 2.368 . . . . 0.0 112.599 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -129.37 90.16 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.49 68.83 4.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.834 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.95 128.96 53.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.08 -29.96 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 111.437 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.22 -32.88 59.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.116 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -88.93 -27.78 20.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.348 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 124.41 27.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 0.0 110.211 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -108.25 148.97 38.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.329 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 34' ' ' LEU . 19.3 Cg_exo -66.02 152.88 80.2 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.614 2.209 . . . . 0.0 111.765 177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 35' ' ' ALA . 83.6 mt -97.9 165.11 12.08 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.908 0.385 . . . . 0.0 110.348 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 4.1 m -86.7 161.31 18.5 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.7 -54.16 37.45 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.006 0.522 . . . . 0.0 112.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.75 -50.97 54.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.88 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 46.2 mt-10 -58.19 -52.51 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.386 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 98.2 mt -52.05 -48.78 64.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.329 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.51 -24.49 62.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.535 0.684 . . . . 0.0 111.174 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.83 16.33 3.4 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD21 ' HE3' ' A' ' 28' ' ' TRP . 73.4 mt -113.17 15.45 19.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.082 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 10.5 pt-20 -123.75 157.54 33.75 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.318 176.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -161.32 28.34 0.13 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 69.13 -52.84 0.59 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.699 -170.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -168.39 161.46 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.16 88.56 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -61.11 -34.17 74.54 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.069 173.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.33 32.08 1.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -164.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.09 81.76 7.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.317 1.056 . . . . 0.0 109.108 169.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 68.6 tttt -87.73 -162.7 0.84 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.307 -173.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 94.8 m-85 -63.54 -9.17 11.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 111.221 177.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 4' ' ' LYS . 3.0 pp -82.0 -8.01 59.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.09 0.472 . . . . 0.0 110.572 175.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -98.89 24.21 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.844 0.831 . . . . 0.0 110.166 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 8' ' ' ILE . 2.8 pp -79.07 11.38 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.428 175.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' A' ' 18' ' ' LEU . 78.5 mt -62.94 122.87 17.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.595 -174.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -139.78 147.98 23.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.432 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 42.1 m -69.42 142.73 92.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 17.3 Cg_exo -67.54 -40.78 9.72 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.357 2.038 . . . . 0.0 112.515 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.1 t -79.1 -54.99 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.748 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.8 p -89.45 -21.45 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 56.49 42.35 27.51 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.223 0.535 . . . . 0.0 111.519 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 31' ' ' GLN . . . -99.72 153.35 19.54 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -68.92 150.83 47.3 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.93 0.395 . . . . 0.0 110.984 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 27' ' ' LEU . 97.4 mt -111.48 118.31 35.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.736 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -103.12 120.73 41.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -79.93 122.58 26.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -105.14 105.05 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.14 104.13 2.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 109.789 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -171.16 -60.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.805 -175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.83 22.69 6.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.786 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 51.21 49.76 20.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.58 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 56.1 mt-10 -124.48 144.76 49.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 18' ' ' LEU . 74.8 mt -93.69 130.41 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.526 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.639 ' HB3' HD11 ' A' ' 61' ' ' LEU . 27.4 m0 -94.56 117.51 30.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -111.23 101.9 10.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -68.04 -44.15 77.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 -177.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.639 ' HB2' ' HA3' ' A' ' 16' ' ' GLY . 23.7 mp0 -64.43 -23.67 67.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.952 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -100.1 -10.75 21.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.24 . . . . 0.0 110.797 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' A' ' 58' ' ' LEU . 63.6 mttm 63.14 23.76 14.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.882 -175.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 52' ' ' PRO . 71.5 mt -129.51 172.28 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.679 0.752 . . . . 0.0 111.594 -174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.01 137.77 25.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.025 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.5 p90 -137.06 144.0 44.44 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.179 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 11.3 Cg_exo -71.44 159.46 51.42 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.221 2.614 . . . . 0.0 113.383 -175.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 43' ' ' PRO . 9.8 mm -118.88 123.42 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.028 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.823 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 34.0 mmtp -98.81 71.11 1.9 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.24 48.77 22.4 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.957 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 110.37 -2.75 29.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.196 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.823 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 49.9 mm -108.47 89.28 5.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.51 0.195 . . . . 0.0 111.073 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 2.9 Cg_exo -74.83 131.82 14.95 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.058 2.505 . . . . 0.0 111.552 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' HE2' ' HG2' ' A' ' 39' ' ' LYS . 62.5 m-85 -80.13 73.39 6.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.307 0.575 . . . . 0.0 110.521 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -74.72 31.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.111 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 87.6 mt -100.67 128.75 46.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.9 -50.13 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.129 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -78.05 -30.3 49.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.0 111.115 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 9.3 mm-40 -80.98 -27.16 36.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 150.02 41.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 111.217 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -106.32 153.87 40.14 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.102 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.1 Cg_endo -84.39 148.29 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.706 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -96.89 164.86 12.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 p -103.12 172.61 6.72 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.461 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.28 -50.33 73.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.312 0.645 . . . . 0.0 112.125 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -51.68 -44.44 63.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.302 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.93 -53.71 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.688 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 33' ' ' LYS . 87.5 mt -49.51 -45.63 47.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.399 174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -66.12 -25.49 67.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.049 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . . . -85.01 14.54 4.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 0.0 111.082 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 28' ' ' TRP . 94.7 mt -127.09 20.24 6.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.3 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -122.64 -62.7 1.34 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.18 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -119.46 -174.05 2.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.128 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -67.53 93.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.608 ' HB3' ' HA ' ' A' ' 60' ' ' ALA . 20.8 t-80 -130.2 8.13 5.09 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.031 -176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -76.11 69.29 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.866 0.841 . . . . 0.0 109.889 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -178.23 131.94 0.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.975 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.749 -1.119 . . . . 0.0 110.797 179.632 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.113 0.482 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.0 18.9 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.358 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -137.77 116.79 12.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.404 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -128.83 -16.2 4.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.38 0.609 . . . . 0.0 110.45 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.368 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -99.76 4.89 45.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -176.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.75 -18.12 14.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 0.0 110.62 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 pt -84.0 46.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.376 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.15 117.31 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.741 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.23 165.7 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.29 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' LEU . 20.7 p -103.16 143.77 27.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 5.2 Cg_exo -80.68 2.31 8.63 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.888 2.392 . . . . 0.0 112.604 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.14 -65.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.771 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.9 t -111.04 0.71 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.63 78.39 0.24 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.601 0.715 . . . . 0.0 110.737 -174.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.61 151.53 23.26 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.71 150.03 47.39 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.108 0.48 . . . . 0.0 111.562 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 27' ' ' LEU . 31.6 mt -111.36 122.52 48.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.596 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -99.59 111.99 24.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -81.95 125.0 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.284 0.564 . . . . 0.0 110.607 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.73 106.27 16.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.16 -15.82 63.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.798 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.61 -40.48 83.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.199 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 59.4 mmtt -113.28 1.01 15.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.382 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 53.34 39.96 30.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.209 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 67.7 mt-10 -119.82 145.33 46.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.092 0.472 . . . . 0.0 112.183 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 HD13 ' A' ' 18' ' ' LEU . 96.9 mt -86.68 111.44 20.68 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -92.72 112.41 24.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.324 0.583 . . . . 0.0 111.17 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -116.37 89.23 3.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.631 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HD3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.5 -26.61 67.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.048 -176.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -39.53 85.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.839 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.01 -5.67 37.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.31 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 67.64 24.41 8.49 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.4 mt -123.78 172.82 8.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.537 0.684 . . . . 0.0 111.657 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.91 121.19 11.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.193 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 45' ' ' MET . 56.2 m-85 -93.07 141.93 24.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.492 -176.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.4 134.91 7.98 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.473 2.115 . . . . 0.0 113.222 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 43' ' ' PRO . 46.9 mm -109.44 123.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.055 175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -98.42 76.05 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.338 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t0 54.87 43.03 30.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.604 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 108.32 -4.7 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.6 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.5 mm -110.29 89.91 9.21 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 26.0 Cg_exo -62.88 112.5 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.831 2.354 . . . . 0.0 112.627 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -101.21 70.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 22.1 ptm -81.6 50.5 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.721 0.772 . . . . 0.0 110.287 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.1 mt -84.04 135.97 34.22 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.441 -175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.57 -30.33 67.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -75.27 -38.59 60.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.224 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.97 -22.86 17.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.96 124.56 20.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 0.0 110.793 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 28.0 mmt180 -100.07 145.43 30.2 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 6.3 Cg_exo -79.45 157.51 25.52 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.806 2.337 . . . . 0.0 112.249 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 -179.12 6.06 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.505 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.574 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.3 p -99.52 162.86 12.77 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.89 -43.59 81.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.609 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -51.67 -58.73 5.54 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.414 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.9 -47.16 83.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.734 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' SER . 88.1 mt -51.27 -44.5 61.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.613 173.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -65.37 -39.79 92.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.348 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 46.1 1.18 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.748 -174.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -77.8 -13.6 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 64' ' ' HIS . 29.0 tt0 65.29 143.09 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.936 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -103.47 8.05 37.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.075 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.542 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 28.3 m170 -132.35 177.91 7.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.252 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.37 118.79 6.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -41.37 110.98 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.478 1.112 . . . . 0.0 112.455 -172.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -70.45 163.25 27.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.213 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.511 174.037 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.93 103.55 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.892 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -78.17 81.99 4.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.963 0.887 . . . . 0.0 112.274 -172.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.19 9.23 5.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.389 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -103.92 -25.39 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.831 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.29 -29.08 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.462 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.51 51.85 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.156 0.979 . . . . 0.0 109.095 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.4 pt -102.31 30.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.406 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 18' ' ' LEU . 71.2 mt -61.05 118.88 7.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.81 160.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.475 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.53 142.53 96.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.8 -27.74 21.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.374 2.05 . . . . 0.0 112.44 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 t -88.38 -70.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -86.41 -7.06 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 35.6 ttmt 57.06 66.5 1.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 111.456 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' HA3' ' OE1' ' A' ' 31' ' ' GLN . . . -137.28 168.81 24.25 Favored Glycine 0 C--O 1.227 -0.318 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -61.16 159.99 11.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.688 0.744 . . . . 0.0 112.763 -172.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 27' ' ' LEU . 90.1 mt -121.46 123.69 42.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.609 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 19.6 mm-40 -86.56 89.75 8.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HB3' HD23 ' A' ' 27' ' ' LEU . 36.2 p90 -85.27 143.54 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.942 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -101.65 -86.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.81 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.41 -65.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.44 -0.504 . . . . 0.0 112.113 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.09 -45.97 82.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.055 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 26' ' ' GLU . 85.1 mttt -119.75 12.39 12.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 38' ' ' ILE . 82.7 mm-40 50.16 41.53 23.96 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.929 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.792 ' HG3' ' HB2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -65.13 118.36 9.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.938 -174.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HD13 ' A' ' 18' ' ' LEU . 89.5 mt -84.51 109.11 17.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 12.4 m95 -93.17 103.88 16.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -98.81 91.85 5.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.007 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.66 -30.93 70.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.642 -176.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' OE1' ' HA3' ' A' ' 16' ' ' GLY . 56.0 mt-30 -73.21 -26.71 61.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.92 -9.37 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 109.993 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 58' ' ' LEU . 53.9 mtpt 62.3 28.71 17.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.727 -178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' PRO . 82.0 mt -127.93 176.63 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.015 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.24 126.93 17.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.085 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 95.9 m-85 -110.14 143.81 28.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.778 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 36.1 Cg_endo -94.18 132.59 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.148 2.565 . . . . 0.0 112.701 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 27' ' ' LEU . 43.6 mm -114.51 126.84 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -121.85 112.52 18.45 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.492 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.47 25.19 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.896 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.586 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 79.1 15.01 81.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.764 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.6 mm -105.95 89.25 3.52 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 15.0 Cg_exo -67.81 144.09 63.83 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.091 2.527 . . . . 0.0 112.979 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -129.1 87.4 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.581 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.83 65.53 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.28 0.562 . . . . 0.0 109.855 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 49' ' ' GLU . 80.4 mt -108.67 123.62 49.26 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.055 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -61.18 -32.59 72.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.441 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -34.15 72.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.531 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' HD12 ' A' ' 46' ' ' LEU . 5.4 mm-40 -83.34 -41.46 18.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.925 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 141.06 58.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.371 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -110.93 144.81 31.11 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.176 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 34' ' ' LEU . 56.4 Cg_endo -73.71 157.08 48.57 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.459 2.106 . . . . 0.0 112.756 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.44 160.84 14.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.292 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.6 p -103.03 168.3 9.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.731 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.6 mt-10 -61.86 -38.28 87.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 123.27 0.356 . . . . 0.0 111.703 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.21 95.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.18 -51.84 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.105 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.3 mt -50.19 -45.42 53.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.12 173.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.96 -21.3 64.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 111.222 -178.179 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.5 40.77 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' A' ' 62' ' ' GLU . 4.2 pp -77.42 7.4 5.43 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 112.408 -172.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HG3' HD12 ' A' ' 61' ' ' LEU . 44.4 mt-10 -122.72 47.11 2.01 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.119 0.961 . . . . 0.0 110.425 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 76.24 -62.21 0.43 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.021 175.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -110.56 -85.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.739 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.85 -68.76 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 67' ' ' HIS . 2.6 p-80 -81.61 -30.97 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -171.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 17.7 t-160 66.38 116.17 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.519 0.512 . . . . 0.0 109.956 -174.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 44.8 t-80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.984 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 121.03 0.443 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 5' ' ' PHE . 1.2 pm0 -97.59 87.85 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.281 0.562 . . . . 0.0 111.34 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 13.3 tmtt? -89.84 -36.0 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.63 ' HD2' ' HB3' ' A' ' 7' ' ' ASP . 49.1 tptt -75.35 -10.91 59.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.55 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.711 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 50.7 t80 -70.66 -38.29 73.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.956 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -98.61 4.09 48.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.226 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.63 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 12.3 t70 -94.62 4.98 53.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.86 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.6 pt -80.8 41.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.071 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.23 144.5 56.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.95 156.76 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.743 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 m -79.26 143.14 59.89 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.023 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.22 -3.75 14.22 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.297 1.998 . . . . 0.0 111.716 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.25 -42.65 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.563 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -148.68 12.86 0.91 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 -175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 60.84 22.96 12.99 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.69 146.45 34.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.311 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 17' ' ' ARG . 39.4 mtm105 -64.54 145.34 56.28 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.043 0.449 . . . . 0.0 111.927 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -123.49 123.07 39.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -126.0 117.31 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' HB3' HD23 ' A' ' 27' ' ' LEU . 39.1 p90 -78.82 138.02 37.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.221 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -90.5 108.06 19.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.906 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -72.51 108.53 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 66.1 t0 175.05 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.7 mtpt -113.13 -6.86 13.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.528 -1.215 . . . . 0.0 108.812 169.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 14.2 mt-30 60.07 66.78 0.93 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.286 -175.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -117.24 142.69 46.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 mt -84.49 119.11 24.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -92.56 104.36 16.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.538 . . . . 0.0 110.357 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -100.15 79.22 2.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.38 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 2.6 tmt_? -63.41 -38.1 89.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.956 0.408 . . . . 0.0 110.179 -176.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -25.66 68.06 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -105.53 -4.22 21.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.82 0.343 . . . . 0.0 110.827 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 61.22 26.17 16.07 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.35 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 52' ' ' PRO . 85.8 mt -128.19 175.43 8.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 0.0 111.29 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -143.78 129.23 19.0 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.495 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 84.7 m-85 -97.48 142.88 25.23 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.361 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 3.8 Cg_exo -80.67 124.93 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.012 2.475 . . . . 0.0 112.374 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 43' ' ' PRO . 10.6 mm -98.49 122.93 50.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.878 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 44' ' ' TYR . 96.0 mttt -118.8 97.62 5.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.725 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 64.82 21.27 12.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.566 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 5.22 53.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.03 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.17 90.43 3.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 122.619 0.368 . . . . 0.0 110.506 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' HD13 ' A' ' 38' ' ' ILE . 26.1 Cg_endo -62.89 117.91 4.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.681 2.254 . . . . 0.0 112.05 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 39' ' ' LYS . 28.2 m-85 -87.58 75.48 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.687 0.756 . . . . 0.0 110.078 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 66.3 mtt -78.03 66.32 3.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.547 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.29 123.23 48.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.671 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -50.31 -44.85 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.658 0.599 . . . . 0.0 111.654 -176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.09 -37.3 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.545 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -93.64 -10.71 33.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.19 136.11 57.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 4.5 mmp_? -101.6 144.69 29.07 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 Cg_exo -72.13 153.19 57.08 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.519 2.146 . . . . 0.0 112.154 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.8 mt -88.72 146.03 25.28 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.18 167.31 16.83 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -58.15 -43.79 87.52 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.37 -52.7 63.52 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 120.762 0.315 . . . . 0.0 110.34 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 57' ' ' GLU . 16.5 mp0 -51.81 -51.01 59.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.303 0.641 . . . . 0.0 111.861 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' SER . 94.4 mt -51.89 -46.75 64.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.93 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -70.27 -32.28 70.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.45 49.12 1.45 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.49 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.752 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 2.7 pt? -74.47 -6.42 48.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.615 0.722 . . . . 0.0 110.384 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' HG ' ' A' ' 61' ' ' LEU . 46.7 mt-10 -126.54 143.92 51.05 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.228 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 58.49 71.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.545 0.688 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -81.67 102.34 10.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.042 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -57.49 130.0 44.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -88.86 147.35 24.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.893 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -67.81 -50.55 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.977 -177.845 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.74 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 18.6 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' H ' ' HG2' ' A' ' 1' ' ' MET . 40.4 tt0 -70.38 83.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.608 . . . . 0.0 111.12 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.19 12.13 5.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.495 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.81 50.25 0.84 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.48 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.25 -55.01 2.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.9 -22.31 23.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.76 171.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -92.21 55.5 2.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.226 1.012 . . . . 0.0 109.61 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 pt -110.8 23.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.457 170.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 74.8 mt -49.56 121.95 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.623 -172.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -133.38 147.33 31.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.034 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB3' HD21 ' A' ' 18' ' ' LEU . 22.3 p -81.52 142.83 50.36 Favored Pre-proline 0 C--N 1.321 -0.654 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -71.64 -5.48 17.15 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.317 2.012 . . . . 0.0 112.656 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.65 -53.55 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.904 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -125.71 1.61 7.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 110.851 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt 56.78 42.12 27.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.729 0.776 . . . . 0.0 109.987 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.59 159.17 15.0 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.23 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 5.2 mmm180 -69.23 157.03 37.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.537 0.684 . . . . 0.0 112.179 -173.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 11' ' ' CYS . 44.2 mt -126.81 133.7 50.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.803 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.54 139.04 31.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.88 152.13 24.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.554 0.692 . . . . 0.0 111.568 -169.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.495 ' NE2' HG21 ' A' ' 38' ' ' ILE . 30.1 p80 -76.96 150.22 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.428 -174.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.33 -67.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.643 166.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.25 -27.72 12.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.566 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mmtp -75.45 -22.95 56.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 57.55 23.78 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.447 -170.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 46.9 mt-10 -112.57 147.05 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.873 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 38' ' ' ILE . 76.7 mt -91.13 113.82 26.18 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.704 ' HB3' HD11 ' A' ' 61' ' ' LEU . 38.7 m0 -93.38 118.37 31.22 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 0.0 111.108 -173.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -107.56 107.82 18.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.143 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.1 tmt_? -69.23 -28.8 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -77.81 -35.06 51.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . . . -96.45 -8.6 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.441 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 61.63 25.84 15.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 80.5 mt -126.64 174.25 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.354 -177.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -135.06 130.56 35.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.5 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 88.4 m-85 -102.7 143.86 27.45 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.166 -174.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 5.0 Cg_exo -78.5 131.52 10.54 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.335 2.69 . . . . 0.0 113.33 -175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' LEU . 4.6 mm -121.01 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.268 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.29 106.64 9.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.231 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 58.64 38.31 25.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.73 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 9.1 86.65 Favored Glycine 0 N--CA 1.454 -0.12 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.926 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 50.4 mm -112.34 90.93 15.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 C-N-CA 122.542 0.337 . . . . 0.0 110.427 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.8 Cg_endo -58.3 118.91 5.87 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.046 2.497 . . . . 0.0 113.177 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.54 53.82 0.79 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.037 0.922 . . . . 0.0 108.524 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 11' ' ' CYS . 16.5 ptm -84.07 68.23 9.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.12 -170.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 49' ' ' GLU . 94.4 mt -92.86 157.28 16.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.68 -48.37 81.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.724 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.82 -5.93 58.96 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.043 0.449 . . . . 0.0 111.177 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' CG ' ' HB2' ' A' ' 46' ' ' LEU . 16.9 mm-40 -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 0.0 110.348 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 152.72 45.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.475 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.1 mmt180 -117.24 157.02 48.06 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.42 159.05 29.29 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.174 1.916 . . . . 0.0 113.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.64 161.99 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.362 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 32.3 p -95.48 170.54 9.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.107 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.68 -45.43 94.2 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.845 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -54.82 -49.88 69.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.333 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -60.15 -51.36 69.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.287 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 54' ' ' SER . 95.2 mt -50.79 -47.12 59.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.11 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 9.2 tmtm? -67.54 -29.51 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 110.763 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 16.21 2.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.932 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 28' ' ' TRP . 95.5 mt -130.28 24.11 5.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.218 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.28 157.35 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.504 -176.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.95 -20.33 63.33 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.832 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -127.36 100.04 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 141.13 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.995 0.426 . . . . 0.0 111.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -152.72 123.19 7.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -75.95 172.72 12.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.326 -175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.4 m80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.296 179.335 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.04 79.05 2.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -169.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 41.0 ttmt -163.15 118.54 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 9.8 tptp -97.64 12.64 32.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.51 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 71.3 t80 -69.3 -17.09 63.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.293 0.568 . . . . 0.0 110.911 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.4 mm? -74.1 -48.1 31.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.524 1.154 . . . . 0.0 108.832 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 38.2 t70 -80.19 45.22 0.73 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 112.869 -1.969 . . . . 0.0 111.28 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.9 pt -107.71 13.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 122.005 -0.434 . . . . 0.0 110.991 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.0 132.46 44.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 111.234 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.91 156.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD21 ' A' ' 18' ' ' LEU . 95.9 m -99.13 144.57 28.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 39.3 Cg_exo -61.71 -16.44 48.69 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.341 2.694 . . . . 0.0 113.319 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.9 -47.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -157.19 17.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.97 45.33 21.41 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.771 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.69 167.53 18.8 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.014 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -66.92 158.33 31.01 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.517 0.675 . . . . 0.0 112.587 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 27' ' ' LEU . 92.4 mt -129.84 123.39 30.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.595 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HG3' HD22 ' A' ' 61' ' ' LEU . 13.3 mm-40 -85.83 119.32 26.02 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -78.02 93.14 4.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.443 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 64.9 t60 -89.53 109.96 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.93 -162.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.699 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 20.2 t70 76.31 -54.06 0.6 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.405 0.682 . . . . 0.0 110.999 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 62.1 mttp -122.44 8.07 9.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 51.63 68.18 0.84 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.447 0.642 . . . . 0.0 111.591 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 21' ' ' HIS . 39.2 mt-10 -119.4 133.55 55.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.766 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD13 HD13 ' A' ' 18' ' ' LEU . 53.1 mt -94.42 109.44 21.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -93.81 114.09 26.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.066 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 32' ' ' ALA . 52.5 p -103.08 103.09 13.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.142 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -39.84 91.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -75.63 -11.48 60.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.578 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 29' ' ' SER . . . -121.03 -9.75 9.16 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.1 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HA ' HD21 ' A' ' 58' ' ' LEU . 97.7 mttt 62.51 26.09 15.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' PRO . 79.7 mt -130.7 174.39 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.247 0.546 . . . . 0.0 111.119 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.42 116.49 12.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.224 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 78.4 m-85 -93.24 144.01 27.63 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.725 -174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 36' ' ' TYR . 2.0 Cg_endo -84.8 125.1 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.355 2.704 . . . . 0.0 112.341 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 41' ' ' GLY . 41.8 mm -115.94 126.99 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 42' ' ' ILE . 89.2 mttt -99.89 70.78 1.63 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 t70 53.72 56.88 6.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.045 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 38' ' ' ILE . . . 97.2 6.49 57.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.018 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 50.0 mm -112.58 89.05 12.12 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.47 131.0 11.24 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.827 2.351 . . . . 0.0 113.017 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -136.79 93.46 2.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.467 0.651 . . . . 0.0 110.594 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.78 71.41 9.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.4 mt -106.12 130.58 53.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.604 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.76 -35.06 73.84 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.11 -25.0 55.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.797 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -97.82 -24.68 15.33 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.513 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.59 39.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.8 mmt180 -111.03 151.65 43.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.262 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 34' ' ' LEU . 4.3 Cg_exo -81.26 148.55 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.757 2.305 . . . . 0.0 111.66 175.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 57' ' ' GLU . 29.7 mt -91.95 145.29 24.66 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.0 p -94.46 175.23 6.76 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.011 177.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.9 mm-40 -64.16 -43.09 96.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.962 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.97 -49.66 76.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.197 0.523 . . . . 0.0 110.651 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 52.1 mt-10 -58.04 -55.34 36.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.738 177.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 33' ' ' LYS . 93.8 mt -51.78 -45.92 63.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.965 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -64.0 -23.93 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.873 -176.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.5 13.79 30.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.777 HD22 ' HG3' ' A' ' 19' ' ' GLU . 93.6 mt -124.7 4.5 8.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.306 0.574 . . . . 0.0 111.272 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -101.37 -18.26 16.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.435 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' O ' ' HD2' ' A' ' 65' ' ' HIS . 21.0 t-80 -170.49 131.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.035 175.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.73 108.62 8.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.018 0.437 . . . . 0.0 110.586 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.475 ' HD2' ' O ' ' A' ' 63' ' ' HIS . 10.6 p80 -125.65 50.06 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.584 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 178.75 118.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.528 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -110.23 -179.1 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.911 0.386 . . . . 0.0 110.407 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.505 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -84.52 162.97 19.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -176.214 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.1 ttmp? -116.22 157.34 25.04 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 93.2 mttt 66.66 23.5 10.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.711 0.632 . . . . 0.0 111.011 -174.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' HB2' ' HG2' ' A' ' 2' ' ' GLU . 88.2 t80 -79.03 -31.41 44.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 0.0 109.222 174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.48 4.68 53.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.669 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -97.9 -14.71 20.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.872 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 5' ' ' PHE . 38.1 pt -90.97 25.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.21 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.29 118.94 10.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -133.3 157.85 42.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.329 -178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 6.1 p -79.66 143.35 58.63 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.266 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 16.4 Cg_exo -68.18 -19.68 44.39 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.017 2.478 . . . . 0.0 113.091 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.67 -62.69 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.923 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -111.44 4.71 19.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 61.73 30.68 18.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.29 139.21 14.86 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.939 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' HG12 ' A' ' 10' ' ' VAL . 66.7 ttt180 -65.02 145.36 56.44 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 123.32 0.648 . . . . 0.0 111.616 -175.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 72.6 mt -105.66 116.69 32.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.877 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.3 132.02 48.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 110.253 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -95.02 131.29 41.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.366 -174.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -121.33 132.53 54.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -82.32 23.97 0.71 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.183 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.482 ' OD2' ' HG3' ' A' ' 24' ' ' LYS . 8.9 p-10 -92.36 -39.5 11.42 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.904 -0.497 . . . . 0.0 110.557 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 59.6 mttp -122.81 7.39 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.646 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 1.7 mp0 57.85 21.77 7.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 43.3 mt-10 -106.81 161.89 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.004 0.43 . . . . 0.0 111.68 -175.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 38' ' ' ILE . 89.4 mt -100.47 115.59 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.991 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -106.2 139.72 40.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HD23 ' A' ' 18' ' ' LEU . 33.3 t -137.14 123.95 21.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.338 . . . . 0.0 111.058 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.92 -23.82 52.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.35 -35.44 79.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.049 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.66 -14.74 18.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 61.42 25.64 15.56 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.135 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.29 178.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.933 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.94 158.74 43.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 94.1 m-85 -126.87 142.87 44.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 44' ' ' TYR . 3.3 Cg_exo -77.68 118.63 4.57 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.12 2.547 . . . . 0.0 112.601 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.646 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 50.9 mm -117.07 124.46 73.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.529 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -114.29 90.29 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.917 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.78 36.47 24.05 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.599 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 105.44 6.68 38.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.708 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.44 89.32 4.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 5.7 Cg_exo -76.39 108.24 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.138 2.559 . . . . 0.0 113.363 -172.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 73.4 m-85 -98.07 59.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.427 0.632 . . . . 0.0 109.396 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 ptm -82.76 71.39 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.78 -176.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.44 115.59 27.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.796 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 14.1 mp0 -63.98 -33.13 75.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.03 0.443 . . . . 0.0 110.848 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -48.64 -35.33 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.577 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -106.49 -68.66 0.87 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.34 -175.83 0.05 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.049 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -131.62 86.35 49.38 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.704 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.08 146.48 70.77 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.9 2.4 . . . . 0.0 112.944 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.1 mp -92.82 -176.87 4.36 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.388 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 p -125.74 170.02 11.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.58 173.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -55.12 26.13 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.969 0.508 . . . . 0.0 111.888 -176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.16 -45.96 75.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.76 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.44 -50.19 74.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.368 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 54' ' ' SER . 92.3 mt -54.68 -45.48 73.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.14 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -67.93 -31.71 71.66 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.794 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.32 28.87 3.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.686 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 mt -81.99 1.36 35.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.012 0.911 . . . . 0.0 109.811 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.58 136.55 46.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.066 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -110.7 133.98 52.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.287 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.14 94.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.82 117.72 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.13 -77.45 0.13 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 109.826 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -150.52 -43.02 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.559 169.156 . . . . . . . . 0 0 . 1 stop_ save_